Repository: kjappelbaum/mofchecker (language: python)

Issue:
networkx should be >= 2.5
## Problem
When installing mofchecker using the instructions on the README, I get a `ModuleNotFoundError: No module named 'networkx.algorithms.graph_hashing'` error. I think this is because by default, it installed networkx 2.4. I think it should install networkx >=2.5 instead, which resolves the issue.

I'd suggest changing `networkx==2.*` in `requirements.txt` to `networkx>=2.5` instead.

## Steps to reproduce the problem
1. In a new conda environment, install mofchecker with `pip install git+https://github.com/kjappelbaum/mofchecker.git`.
2. Run the example script on the README


Discussion / hints:

Fix patch:
diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md
index 359b0dd..66867af 100644
--- a/.github/PULL_REQUEST_TEMPLATE.md
+++ b/.github/PULL_REQUEST_TEMPLATE.md
@@ -1,11 +1,3 @@
 <!-- Please tick the breaking change box if you change is a breaking change according to semantic versioning -->
 
 - [ ] Breaking change (fix or feature that would cause existing functionality to change)
-
-## Types of changes
-
-<!-- Please make sure that
-
-- [ ] You have updated the documentation accordingly.
-- [ ] You have added tests to cover my changes.
-- [ ] All new and existing tests passed. -->
diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml
index c9cdf7d..e197752 100644
--- a/.github/workflows/python-package.yml
+++ b/.github/workflows/python-package.yml
@@ -32,10 +32,9 @@ jobs:
           conda-channels: anaconda, conda-forge
       - name: Install dependencies
         run: |
-          conda install openbabel zeopp-lsmo
-          conda install ruamel.yaml
+          conda install zeopp-lsmo
           pip install pytest pytest-cov
-          if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+          pip install .
       - name: Test with pytest
         run: |
           pytest -v --cov=mofchecker --cov-report=xml --color=yes tests --durations=10
diff --git a/.pylintrc b/.pylintrc
index 35747f9..bc8de8b 100644
--- a/.pylintrc
+++ b/.pylintrc
@@ -1,5 +1,5 @@
 [MESSAGES CONTROL]
-disable = C0330, C0326, locally-disabled, fixme
+disable = C0330, C0326, locally-disabled, fixme,  R0801 # needs to remain disabled see https://github.com/PyCQA/pylint/issues/214
 
 
 [format]
diff --git a/LICENSE b/LICENSE
index 91bdc4c..2b3a32d 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,20 +1,280 @@
-MIT License
-
-Copyright (c) 2020 Kevin M. Jablonka
-
-Permission is hereby granted, free of charge, to any person obtaining a copy
-of this software and associated documentation files (the "Software"), to deal
-in the Software without restriction, including without limitation the rights
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-copies of the Software, and to permit persons to whom the Software is
-furnished to do so, subject to the following conditions:
-
-The above copyright notice and this permission notice shall be included in all
-copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+            GNU GENERAL PUBLIC LICENSE
+               Version 2, June 1991
+
+ Copyright (C) 1989, 1991 Free Software Foundation, Inc.
+                       51 Franklin St, Fifth Floor, Boston, MA  02110-1301  USA
+ Everyone is permitted to copy and distribute verbatim copies
+ of this license document, but changing it is not allowed.
+
+                Preamble
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+  The licenses for most software are designed to take away your
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+License is intended to guarantee your freedom to share and change free
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+General Public License applies to most of the Free Software
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+             END OF TERMS AND CONDITIONS
diff --git a/README.md b/README.md
index 48544c9..2f3fc3b 100644
--- a/README.md
+++ b/README.md
@@ -17,10 +17,9 @@ Sanity checks:
 - Overlapping atoms (distance between atoms above covalent *radius* of the smaller atom)
 - Overvalent carbons (coordination number above 4), nitrogens (heuristics), or hydrogens (CN > 1)
 - Missing hydrogen on common coordination geometries of C and N (heuristics)
-- Atoms with excessive [EQeq partial charge](https://pubs.acs.org/doi/10.1021/jz3008485) (using [openbabel](http://openbabel.org/wiki/Main_Page), if installed)
+- Atoms with excessive [EQeq partial charge](https://pubs.acs.org/doi/10.1021/jz3008485)
 
 Basic analysis:
-- Presence of open metal sites
 - Presence of floating atoms or molecules
 - Hash of the atomic structure graph (useful to identify duplicates)
 
@@ -41,10 +40,10 @@ Latest stable release
 pip install mofchecker
 ```
 
-Note that you need to install [openbabel](https://anaconda.org/conda-forge/openbabel) and [zeopp](https://anaconda.org/conda-forge/zeopp-lsmo) if you want to use the charge and porosity features, respectively.
+Note that you need to install [zeopp](https://anaconda.org/conda-forge/zeopp-lsmo) if you want to use the porosity features.
 
 ```bash
-conda install -c conda-forge zeopp-lsmo openbabel
+conda install -c conda-forge zeopp-lsmo
 ```
 
 
@@ -73,17 +72,3 @@ for structure in sample_structures:
     mofchecker = MOFChecker.from_cif(structure)
     results.append(mofchecker.get_mof_descriptors())
 ```
-
-### CLI
-
-For example, you can use
-
-```bash
-mofchecker <cif> --has-oms
-```
-
-You can get an overview over all options with
-
-```bash
-mofchecker --help
-```
diff --git a/docs/background.rst b/docs/background.rst
index 128e967..64e2dd2 100644
--- a/docs/background.rst
+++ b/docs/background.rst
@@ -9,6 +9,22 @@ For assembling the widely used CoRE-MOF database (see `first <https://pubs.acs.o
 
 In mofchecker, we follow this definition and use `zeopp <http://www.zeoplusplus.org/>`_ with the high-accuracy flag and the default atom radii to compute the largest free sphere. If it is above or equal to 2.4 Å the :py:attr`~mofchecker.MOFChecker.is_porous` will return :code:`True`.
 
+
+Charge check
+--------------
+The charge check is quite a simple heuristic that will raise an error if a simple charge equilibration method (see J. Chem. Theory Comput. 2019, 15, 1, 382–401 for background) yields high (>4) charges. Often, this correlates with "wrong", or at least, unusual chemistry. Has been used as a check in  Nat Commun 11, 4068 (2020).
+
+
+Clashing atoms
+-----------------
+The check for clashing atoms is based on a simple distance-based criterion. That is, for and atomic distance smaller than the minimum covalent radius of one of the bonding partners, we will raise an error.
+
+
+Over/undercoordinated C/N
+----------------------------
+The checks for over/undercoordination are based on simple, hard-coded heuristics on bond angles and coordination numbers and are far from being general and comprehensive.
+
+
 Graph hash and scaffold hash
 ----------------------------
 
@@ -71,3 +87,8 @@ It is also possible (but unlikely) that the hashes of two structures *coincide u
 
 * there is an unlucky hash clash.
   Weisfeiler Lehman has some `edge cases <https://informaconnect.com/beyond-weisfeiler-lehman-using-substructures-for-provably-expressive-graph-neural-networks/>`_)
+
+* the structure graph heuristics did not work, i.e., we assigned wrong bonds to the structure.
+
+
+To double-check the hash results it can be practical to also consider simple factors such as density and composition.
diff --git a/docs/getting_started.rst b/docs/getting_started.rst
index 02c7124..2c7a562 100644
--- a/docs/getting_started.rst
+++ b/docs/getting_started.rst
@@ -4,7 +4,7 @@ Getting started with mofchecker
 Installation
 --------------
 
-We recommend installing mofchecker in a clean virtual environment environment (e.g., a `conda environment <https://docs.conda.io/projects/conda/en/latest/index.html>`_)
+We recommend installing mofchecker in a clean virtual environment (e.g., a `conda environment <https://docs.conda.io/projects/conda/en/latest/index.html>`_)
 
 
 You can install the latest stable release from PyPi using
@@ -21,13 +21,6 @@ or the latest development version using
     pip install git+https://github.com/kjappelbaum/mofchecker.git
 
 
-If you want to use the charge check (based on the EqEq method), you'll need to install openbabel, for example using
-
-.. code-block:: bash
-
-    conda install  -c conda-forge openbabel
-
-
 if you want to use the porosity check, you'll need to have the `network` binary of the zeo++ library in your PATH. You can install it using
 
 .. code-block:: bash
@@ -53,4 +46,27 @@ To run all checks you only need the following code snippet
 
 :code:`check_result` will be a :code:`OrderedDict` in which the keys are the names of the checks and the values are the check results.
 
-The "ideal"/"expected" values for the checks are defined in :py:attr:`~mofchecker.check_expected_values`.
+The “ideal”/”expected” values for the checks are defined in :py:attr:`~mofchecker.check_expected_values`.
+
+Adding missing hydrogens
+--------------------------
+
+We currently do not provide a fully-automated routine as the algorithm for identification of candidate sites for hydrogen is still quite primitive and not tested in production.
+
+.. code-block:: python
+
+    from mofchecker import MOFChecker
+    checker = MOFChecker.from_file(<path_to_file>)
+
+    # mofchecker uses an immutable object internally to avoid side effects
+    # and to allow hashing
+    mutable_structure = Structure.from_sites(checker.structure.sites)
+
+    # here we flatten a list that can potentially be a list of lists
+    # of Cartesian coordinates
+    h_positions = sum([], undercoordinated_c_candidate_positions)
+
+    # now, we can append the new sites to the structure
+    for h in h_positions:
+        h = mutable_structure.lattice.get_fractional_coords(h)
+        mutable_structure.append('H',  h)
diff --git a/examples/run_checks.ipynb b/examples/run_checks.ipynb
new file mode 100644
index 0000000..6b68c14
--- /dev/null
+++ b/examples/run_checks.ipynb
@@ -0,0 +1,208 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from mofchecker import MOFChecker"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "mofchecker = MOFChecker.from_cif('../tests/test_files/FAPXIG_clean.cif')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.lone_molecule_indices"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "mofchecker = MOFChecker.from_cif('../tests/test_files/AHOKIR_clean.cif')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[0, 1, 2, 3]"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.undercoordinated_c_indices"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.undercoordinated_n_indices"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.overvalent_h_indices"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.overvalent_c_indices"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "mofchecker = MOFChecker.from_cif('../tests/test_files/HKUST_floating.cif')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[[432]]"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.lone_molecule_indices"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "PeriodicSite: He (13.1715, 13.1715, 13.1715) [0.5000, 0.5000, 0.5000]"
+      ]
+     },
+     "execution_count": 12,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mofchecker.structure[432]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.8.6"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/mofchecker/__init__.py b/mofchecker/__init__.py
index 4a982f9..a07996f 100644
--- a/mofchecker/__init__.py
+++ b/mofchecker/__init__.py
@@ -1,7 +1,5 @@
 # -*- coding: utf-8 -*-
 """MOFChecker: Basic sanity checks for MOFs"""
-import json
-import logging
 import os
 import warnings
 from collections import OrderedDict
@@ -9,67 +7,48 @@
 from typing import List, Union
 
 import networkx as nx
-import numpy as np
+from ase import Atoms
 from networkx.algorithms.graph_hashing import weisfeiler_lehman_graph_hash
 from pymatgen.analysis.graphs import ConnectedSite, StructureGraph
-from pymatgen.analysis.local_env import (
-    BrunnerNN_relative,
-    CrystalNN,
-    CutOffDictNN,
-    EconNN,
-    JmolNN,
-    LocalStructOrderParams,
-    MinimumDistanceNN,
-    VoronoiNN,
-)
-from pymatgen.core import Structure
+from pymatgen.core.structure import IStructure, Structure
+from pymatgen.io.ase import AseAtomsAdaptor
 from pymatgen.io.cif import CifParser
 
 from ._version import get_versions
-from .checks.hash import construct_clean_graph
-from .checks.zeopp import check_if_porous
-from .definitions import CHECK_DESCRIPTIONS, EXPECTED_CHECK_VALUES, OP_DEF
-from .utils import (
-    HighCoordinationNumber,
-    LowCoordinationNumber,
-    NoMetal,
-    _check_if_ordered,
-    _check_metal_coordination,
-    _guess_underbound_nitrogen_cn2,
-    _guess_underbound_nitrogen_cn3,
-    _is_any_neighbor_metal,
-    _maximum_angle,
-    _vdw_radius_neighbors,
-    get_charges,
-    get_overlaps,
-    get_subgraphs_as_molecules_all,
-    is_metal,
+from .checks.charge_check import ChargeCheck
+from .checks.floating_solvent import FloatingSolventCheck
+from .checks.global_structure import HasCarbon, HasHydrogen, HasMetal, HasNitrogen
+from .checks.local_structure import (
+    AtomicOverlapCheck,
+    FalseOxoCheck,
+    OverCoordinatedCarbonCheck,
+    OverCoordinatedHydrogenCheck,
+    OverCoordinatedNitrogenCheck,
+    UnderCoordinatedCarbonCheck,
+    UnderCoordinatedNitrogenCheck,
+)
+from .checks.oms import MOFOMS
+from .checks.utils.get_indices import (
+    get_c_indices,
+    get_h_indices,
+    get_metal_indices,
+    get_n_indices,
 )
+from .checks.zeopp import PorosityCheck
+from .definitions import CHECK_DESCRIPTIONS, EXPECTED_CHECK_VALUES
+from .graph import _get_cn, construct_clean_graph, get_structure_graph
+from .utils import _check_if_ordered
 
 __version__ = get_versions()["version"]
 del get_versions
 
 __all__ = ["__version__", "MOFChecker"]
 
-MOFCheckLogger = logging.getLogger(__name__)
-MOFCheckLogger.setLevel(logging.DEBUG)
-VESTA_NN = CutOffDictNN.from_preset("vesta_2019")
-try:
-    from openbabel import pybel  # pylint:disable=import-outside-toplevel, unused-import
-
-    HAS_OPENBABEL = True
-except ImportError:
-    warnings.warn(
-        "For the charge check openbabel needs to be installed. \
-    This can be done, for example using conda install openbabel"
-    )
-    HAS_OPENBABEL = False
-
 
 class MOFChecker:  # pylint:disable=too-many-instance-attributes, too-many-public-methods
     """MOFChecker performs basic sanity checks for MOFs"""
 
-    def __init__(self, structure: Structure, primitive: bool = True):
+    def __init__(self, structure: Union[Structure, IStructure], primitive: bool = True):
         """Class that can perform basic sanity checks for MOF structures
 
         Args:
@@ -80,41 +59,28 @@ def __init__(self, structure: Structure, primitive: bool = True):
         Raises:
             NotImplementedError in the case of partial occupancies
         """
-        self.structure = structure
+        if isinstance(structure, Structure):
+            self.structure = IStructure.from_sites(structure)
+        else:
+            self.structure = structure
         _check_if_ordered(structure)
         if primitive:
             self.structure = self.structure.get_primitive_structure()
-        self.metal_indices = [
-            i for i, site in enumerate(self.structure) if is_metal(site)
-        ]
 
-        self.porous_adjustment = False
+        self.metal_indices = get_metal_indices(self.structure)
+
         self.charges = None
         self._porous = ""
         self.metal_features = None
-        self._open_indices: set = set()
-        self._has_oms = None
-        self._cnn = None
-        self._cnn_method = None
+        self._cnn_method = "vesta"
         self._filename = None
-        self._atomic_overlaps = None
         self._name = None
-        self.c_indices = [
-            i for i, species in enumerate(self.structure.species) if str(species) == "C"
-        ]
-        self.h_indices = [
-            i
-            for i, species in enumerate(self.structure.species)
-            if str(species) in ["H", "D", "T"]
-        ]
-        self.n_indices = [
-            i for i, species in enumerate(self.structure.species) if str(species) == "N"
-        ]
+        self.c_indices = get_c_indices(self.structure)
+        self.h_indices = get_h_indices(self.structure)
+        self.n_indices = get_n_indices(self.structure)
         self._overvalent_c = None
         self._overvalent_n = None
         self._overvalent_h = None
-        self._undercoordinated_carbon = None
-        self._undercoordinated_nitrogen = None
         self.check_expected_values = EXPECTED_CHECK_VALUES
         self.check_descriptions = CHECK_DESCRIPTIONS
 
@@ -122,22 +88,41 @@ def __init__(self, structure: Structure, primitive: bool = True):
         self._nx_graph = None
         self._connected_sites = {}
         self._cns = {}
-        self._set_cnn()
+        self._checks = {
+            "has_c": HasCarbon(self.structure),
+            "has_h": HasHydrogen(self.structure),
+            "has_metal": HasMetal(self.structure),
+            "has_nitrogen": HasNitrogen(self.structure),
+            "no_atomic_overlaps": AtomicOverlapCheck(self.structure),
+            "no_undercoordinated_carbon": UnderCoordinatedCarbonCheck.from_mofchecker(
+                self
+            ),
+            "no_overcoordinated_carbon": OverCoordinatedCarbonCheck.from_mofchecker(
+                self
+            ),
+            "no_overcoordinated_hydrogen": OverCoordinatedHydrogenCheck.from_mofchecker(
+                self
+            ),
+            "no_overcoordinated_nitrogen": OverCoordinatedNitrogenCheck.from_mofchecker(
+                self
+            ),
+            "no_undercoordinated_nitrogen": UnderCoordinatedNitrogenCheck.from_mofchecker(
+                self
+            ),
+            "no_floating_molecule": FloatingSolventCheck.from_mofchecker(self),
+            "no_high_charges": ChargeCheck(self.structure),
+            "is_porous": PorosityCheck(self.structure),
+            "no_oms": MOFOMS.from_mofchecker(self),
+            "no_false_terminal_oxo": FalseOxoCheck.from_mofchecker(self),
+        }
 
     def _set_filename(self, path):
         self._filename = os.path.abspath(path)
         self._name = Path(path).stem
 
-    def _get_atomic_overlaps(self):
-        if self._atomic_overlaps is not None:
-            return self._atomic_overlaps
-
-        self._atomic_overlaps = get_overlaps(self.structure)
-        return self._atomic_overlaps
-
     def get_overlapping_indices(self):
         """Return the indices of overlapping atoms"""
-        return self._get_atomic_overlaps()
+        return self._checks["no_atomic_overlaps"].flagged_indices
 
     @property
     def graph_hash(self):
@@ -146,7 +131,21 @@ def graph_hash(self):
         (taking the atomic kinds into account)
         and there are guarantees that non-isomorphic graphs will get different hashes.
         """
-        return weisfeiler_lehman_graph_hash(self.nx_graph, node_attr="specie")
+        return weisfeiler_lehman_graph_hash(
+            self.nx_graph, node_attr="specie", iterations=6
+        )
+
+    @property
+    def undercoordinated_c_candidate_positions(self):
+        """Candidate positions for addition H on C
+        we identified as undercoordinated"""
+        return self._checks["no_undercoordinated_carbon"].candidate_positions
+
+    @property
+    def undercoordinated_n_candidate_positions(self):
+        """Candidate positions for addition H on N
+        we identified as undercoordinated"""
+        return self._checks["no_undercoordinated_nitrogen"].candidate_positions
 
     @property
     def scaffold_hash(self):
@@ -154,13 +153,12 @@ def scaffold_hash(self):
         Hashes are identical for isomorphic graphs and there are
         guarantees that non-isomorphic graphs will get different hashes.
         """
-        return weisfeiler_lehman_graph_hash(self.nx_graph)
+        return weisfeiler_lehman_graph_hash(self.nx_graph, iterations=6)
 
     @property
     def has_atomic_overlaps(self):
         """Check if there are any overlaps in the structure"""
-        atomic_overlaps = self._get_atomic_overlaps()
-        return len(atomic_overlaps) > 0
+        return self._checks["no_atomic_overlaps"].is_ok
 
     @property
     def name(self):
@@ -171,12 +169,12 @@ def name(self):
     @property
     def has_carbon(self):
         """Check if there is any carbon atom in the structure"""
-        return len(self.c_indices) > 0
+        return self._checks["has_c"].is_ok
 
     @property
     def has_hydrogen(self):
         """Check if there is any hydrogen atom in the structure"""
-        return len(self.h_indices) > 0
+        return self._checks["has_h"].is_ok
 
     @property
     def density(self):
@@ -201,11 +199,17 @@ def has_overvalent_c(self) -> bool:
         Returns:
             [bool]: True if carbon with CN > 4 in structure.
         """
-        if self._overvalent_c is not None:
-            return self._overvalent_c
+        return not self._checks["no_overcoordinated_carbon"].is_ok
+
+    @property
+    def overvalent_c_indices(self) -> bool:
+        """Returns indices of carbon in the structure
+        that has more than 4 neighbors.
 
-        self._has_overvalent_c()
-        return self._overvalent_c
+        Returns:
+            [list]:
+        """
+        return self._checks["no_overcoordinated_carbon"].flagged_indices
 
     @property
     def has_overvalent_h(self) -> bool:
@@ -215,157 +219,71 @@ def has_overvalent_h(self) -> bool:
         Returns:
             [bool]: True if hydrogen with CN > 1 in structure.
         """
-        if self._overvalent_h is not None:
-            return self._overvalent_h
+        return not self._checks["no_overcoordinated_hydrogen"].is_ok
 
-        self._has_overvalent_h()
-        return self._overvalent_h
+    @property
+    def overvalent_h_indices(self) -> bool:
+        """Returns indices of hydrogen in the structure
+        that has more than 1 neighbors.
+
+        Returns:
+            [list]:
+        """
+        return self._checks["no_overcoordinated_hydrogen"].flagged_indices
 
     @property
     def has_undercoordinated_c(self) -> bool:
         """Check if there is a carbon that likely misses
         hydrogen"""
-        if self._undercoordinated_carbon is not None:
-            return self._undercoordinated_carbon
+        return not self._checks["no_undercoordinated_carbon"].is_ok
+
+    @property
+    def undercoordinated_c_indices(self) -> bool:
+        """Returns indices of carbon in the structure
+        that likely miss some neighbors.
 
-        self._has_undercoordinated_carbon()
-        return self._undercoordinated_carbon
+        Returns:
+            [list]:
+        """
+        return self._checks["no_undercoordinated_carbon"].flagged_indices
 
     @property
     def has_undercoordinated_n(self) -> bool:
         """Check if there is a nitrogen that likely misses
         hydrogen"""
-        if self._undercoordinated_nitrogen is not None:
-            return self._undercoordinated_nitrogen
-
-        self._has_undercoordinated_nitrogen()
-        return self._undercoordinated_nitrogen
-
-    def _has_overvalent_c(self):
-        overvalent_c = False
-        for site_index in self.c_indices:
-            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
-            if cn > 4:
-                if not _is_any_neighbor_metal(self.get_connected_sites(site_index)):
-                    overvalent_c = True
-                    break
-        self._overvalent_c = overvalent_c
-
-    def _has_overvalent_h(self):
-        overvalent_h = False
-        for site_index in self.h_indices:
-            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
-            if cn > 1:
-                if not _is_any_neighbor_metal(self.get_connected_sites(site_index)):
-                    overvalent_h = True
-                    break
-        self._overvalent_h = overvalent_h
-
-    def _has_overvalent_n(self):
-        overvalent_n = False
-        for site_index in self.n_indices:
-            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
-            if cn > 4:
-                if not _is_any_neighbor_metal(self.get_connected_sites(site_index)):
-                    overvalent_n = True
-                    break
-        self._overvalent_n = overvalent_n
-
-    def _has_undercoordinated_carbon(self, tolerance: int = 10):
-        """Idea is that carbon should at least have three neighbors if it is not sp1.
-        In sp1 case it is linear. So we can just check if there are carbons with
-        non-linear coordination with less than three neighbors. An example in CoRE
-        MOF would be AHOKIR. In principle this should also flag the quite common
-        case of benzene rings with missing hydrogens.
-        """
-        undercoordinated_carbon = False
-
-        for site_index in self.c_indices:
-            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
-            if cn == 2:
-                neighbors = self.get_connected_sites(site_index)
-                angle = _maximum_angle(
-                    self.structure.get_angle(
-                        site_index, neighbors[0].index, neighbors[1].index
-                    )
-                )
-                if (np.abs(180 - angle) > tolerance) or (np.abs(180 - 0) > tolerance):
-                    if (not is_metal(neighbors[0].site)) or (
-                        not is_metal(neighbors[1].site)
-                    ):
-                        if len(_vdw_radius_neighbors(self.structure, site_index)) <= 2:
-                            undercoordinated_carbon = True
-                            break
-        self._undercoordinated_carbon = undercoordinated_carbon
-
-    def _has_undercoordinated_nitrogen(self, tolerance: int = 15):
-        """
-        Attempts to captures missing hydrogens on nitrogen groups
-        using heuristics
-        """
-        undercoordinated_nitrogen = False
-        for site_index in self.n_indices:
-            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
-            neighbors = self.get_connected_sites(site_index)
-            if cn == 1:
-                # this is suspicous, but it also might a CN which is perfectly fine.
-                # to check this, we first see if the neighbor is carbon
-                # and then what its coordination number is. If it is greater than 2
-                # then we likely do not have a CN for which the carbon should be a
-                # linear sp one
-                if (self.get_cn(neighbors[0].index) > 2) and not neighbors[
-                    0
-                ].site.specie.is_metal:
-                    undercoordinated_nitrogen = True
-                    break
-            elif cn == 2:
-                undercoordinated_nitrogen = _guess_underbound_nitrogen_cn2(
-                    self.structure,
-                    site_index,
-                    neighbors,
-                    self.get_connected_sites(neighbors[0].index),
-                    self.get_connected_sites(neighbors[1].index),
-                    tolerance,
-                )
-                if undercoordinated_nitrogen:
-                    break
-            elif cn == 3:
-                undercoordinated_nitrogen = _guess_underbound_nitrogen_cn3(
-                    self.structure, site_index, neighbors, tolerance
-                )
-                if undercoordinated_nitrogen:
-                    break
-
-        self._undercoordinated_nitrogen = undercoordinated_nitrogen
-
-    def _has_high_charges(self, threshold=3) -> Union[bool, None]:
-        if (self.charges is None) and HAS_OPENBABEL:
-            self.charges = get_charges(self.structure)
-
-        if isinstance(self.charges, list):
-            if np.sum(np.abs(self.charges) > threshold):
-                return True
-        else:
-            return None
+        return not self._checks["no_undercoordinated_nitrogen"].is_ok
 
-        return False
+    @property
+    def undercoordinated_n_indices(self) -> bool:
+        """Returns indices of nitrogen in the structure
+        that likely miss some neighbors.
 
-    def _is_porous(self) -> Union[bool, None]:
-        if self._porous == "":
-            self._porous = check_if_porous(self.structure)
-        return self._porous
+        Returns:
+            [list]:
+        """
+        return self._checks["no_undercoordinated_nitrogen"].flagged_indices
 
     @property
     def is_porous(self) -> Union[bool, None]:
         """Returns True if the MOF is porous according to the CoRE-MOF definition.
         Returns None if the check could not be run successfully."""
-        return self._is_porous()
+        return self._checks["is_porous"].is_ok
 
     @property
     def has_high_charges(self) -> Union[bool, None]:
         """Check if the structure has unreasonably high EqEq charges.
         Returns None if the check could not be run successfully."""
-        return self._has_high_charges()
+        return not self._checks["no_high_charges"].is_ok
+
+    @property
+    def has_suspicicious_terminal_oxo(self):
+        """Flags metals with a potentially wrong terminal oxo group"""
+        return not self._checks["no_false_terminal_oxo"].is_ok
+
+    @property
+    def suspicicious_terminal_oxo_indices(self):
+        """Indices of metals with a potentially wrong terminal oxo group"""
+        return self._checks["no_false_terminal_oxo"].flagged_indices
 
     @property
     def nx_graph(self) -> nx.Graph:
@@ -378,9 +296,7 @@ def nx_graph(self) -> nx.Graph:
     def graph(self) -> StructureGraph:
         """pymatgen structure graph."""
         if self._graph is None:
-            self._graph = StructureGraph.with_local_env_strategy(
-                self.structure, self._cnn
-            )
+            self._graph = get_structure_graph(self.structure, self._cnn_method)
             self._nx_graph = construct_clean_graph(self.structure, self._graph)
         return self._graph
 
@@ -409,7 +325,7 @@ def get_cn(self, site_index) -> int:
         if site_index not in self._cns:
             with warnings.catch_warnings():
                 warnings.simplefilter("ignore")
-                self._cns[site_index] = self._cnn.get_cn(self.structure, site_index)
+                self._cns[site_index] = _get_cn(self.graph, site_index)
         return self._cns[site_index]
 
     @property
@@ -420,43 +336,24 @@ def has_overvalent_n(self) -> bool:
         Returns:
             [bool]: True if nitrogen with CN > 4 in structure.
         """
-        if self._overvalent_n is not None:
-            return self._overvalent_n
-
-        self._has_overvalent_n()
-        return self._overvalent_n
-
-    @property
-    def has_lone_atom(self) -> bool:
-        """Returns True if there is a isolated floating atom"""
-        return self._has_lone_atom()
+        return not self._checks["no_overcoordinated_nitrogen"].is_ok
 
     @property
     def has_lone_molecule(self) -> bool:
         """Returns true if there is a isolated floating atom or molecule"""
-        return self._has_stray_molecules()
-
-    def _has_lone_atom(self, safe: bool = True) -> bool:
-        for site_index in range(len(self.structure)):
-            nbr = self.get_connected_sites(site_index)
-            if not nbr:
-                lone = True
-                # safe option checks if there is really nothing around 1.5 * VdW radius
-                # this is useful as sometimes the NN method is off, one example for this
-                # is FEZTIP
-                if safe:
-                    if _vdw_radius_neighbors(self.structure, site_index):
-                        lone = False
-                if lone:
-                    return True
-        return False
+        return not self._checks["no_floating_molecule"].is_ok
+
+    @property
+    def lone_molecule_indices(self):
+        """Returns indices of non-periodic connected component in the structure"""
+        return self._checks["no_floating_molecule"].flagged_indices
 
     @classmethod
     def _from_file(cls, path: str):
         structure = Structure.from_file(path)
-        omscls = cls(structure)
-        omscls._set_filename(path)  # pylint:disable=protected-access
-        return omscls
+        mofchecker = cls(structure)
+        mofchecker._set_filename(path)  # pylint:disable=protected-access
+        return mofchecker
 
     @classmethod
     def from_cif(cls, path: Union[str, Path], primitive: bool = True):
@@ -478,129 +375,32 @@ def from_cif(cls, path: Union[str, Path], primitive: bool = True):
             omscls._set_filename(path)  # pylint:disable=protected-access
             return omscls
 
-    def _set_cnn(self, method="voronoinn", porous_adjustment: bool = False):
-        if self._cnn_method == method.lower():
-            return
-        self._cnn_method = method.lower()
-
-        self.porous_adjustment = porous_adjustment
-        if method.lower() == "crystalnn":
-            self._cnn = CrystalNN(porous_adjustment=self.porous_adjustment)
-        elif method.lower() == "econnn":
-            self._cnn = EconNN()
-        elif method.lower() == "brunnernn":
-            self._cnn = BrunnerNN_relative()
-        elif method.lower() == "minimumdistance":
-            self._cnn = MinimumDistanceNN()
-        elif method.lower() == "vesta":
-            self._cnn = VESTA_NN
-        elif method.lower() == "voronoinn":
-            self._cnn = VoronoiNN()
-        else:
-            self._cnn = JmolNN()
-
-    def _get_ops_for_site(self, site_index):
-        cn = self.get_cn(site_index)  # pylint:disable=invalid-name
-        try:
-            names = OP_DEF[cn]["names"]
-            is_open = OP_DEF[cn]["open"]
-            weights = OP_DEF[cn]["weights"]
-            lsop = LocalStructOrderParams(names)
-            return (
-                cn,
-                names,
-                lsop.get_order_parameters(self.structure, site_index),
-                is_open,
-                weights,
-            )
-        except KeyError as exc:
-            # For a bit more fine grained error messages
-            if cn <= 3:  # pylint:disable=no-else-raise
-                raise LowCoordinationNumber(
-                    "Coordination number {} is low \
-                        and order parameters undefined".format(
-                        cn
-                    )
-                ) from exc
-            elif cn > 8:
-                raise HighCoordinationNumber(
-                    "Coordination number {} is high \
-                        and order parameters undefined".format(
-                        cn
-                    )
-                ) from exc
-
-            return cn, None, None, None, None
-
-    def is_site_open(self, site_index: int) -> bool:
-        """Check for a site if is open (based on the values of
-        some coordination geometry fingerprints)
+    @classmethod
+    def from_ase(cls, atoms: Atoms, primitive: bool = True):
+        """Create a MOFChecker instance from an ASE atoms object
 
         Args:
-            site_index (int): Index of the site in the structure
+            atoms (Atoms): ase atoms object
+            primitive (bool): If True, it will perform the analysis
+                on the primitive structure
 
         Returns:
-            bool: True if site is open
+            MOFChecker: Instance of MOFChecker
         """
-        if site_index not in self._open_indices:
-            try:
-                _, _names, lsop, is_open, weights = self._get_ops_for_site(site_index)
-                print(_names, lsop)
-                site_open = MOFChecker._check_if_open(lsop, is_open, weights)
-                if site_open:
-                    self._open_indices.add(site_index)
-                return site_open
-            except LowCoordinationNumber:
-                return True
-            except HighCoordinationNumber:
-                return None
-        return True
-
-    @staticmethod
-    def _check_if_open(lsop, is_open, weights, threshold: float = 0.5):
-        if lsop is not None:
-            if is_open is None:
-                return False
-            lsop = np.array(lsop) * np.array(weights)
-            open_contributions = lsop[is_open].sum()
-            close_contributions = lsop.sum() - open_contributions
-            return (
-                open_contributions / (open_contributions + close_contributions)
-                > threshold
-            )
-        return None
+        adaptor = AseAtomsAdaptor()
+        structure = adaptor.get_structure(atoms)
+        omscls = cls(structure, primitive=primitive)
+        return omscls
 
-    def _get_metal_descriptors_for_site(self, site_index: int):
-        metal = str(self.structure[site_index].species)
-        try:
-            (
-                cn,  # pylint:disable=invalid-name
-                names,
-                lsop,
-                is_open,
-                weights,
-            ) = self._get_ops_for_site(site_index)
-            site_open = MOFChecker._check_if_open(lsop, is_open, weights)
-            if site_open:
-                self._open_indices.add(site_index)
-            descriptors = {
-                "metal": metal,
-                "lsop": dict(zip(names, lsop)),
-                "open": site_open,
-                "cn": cn,
-            }
-            print(descriptors)
-        except LowCoordinationNumber:
-            descriptors = {"metal": metal, "lsop": None, "open": True, "cn": None}
-        except HighCoordinationNumber:
-            descriptors = {"metal": metal, "lsop": None, "open": None, "cn": None}
-        return descriptors
-
-    def _has_stray_molecules(self) -> bool:
-        molecules = get_subgraphs_as_molecules_all(self.graph)
-        if len(molecules) > 0:
-            return True
-        return False
+    @property
+    def has_oms(self):
+        """Returns true if open metal sites are detected"""
+        return not self._checks["no_oms"].is_ok
+
+    def _set_cnn(self, method="vesta"):
+        if self._cnn_method == method.lower():
+            return
+        self._cnn_method = method.lower()
 
     def get_mof_descriptors(self) -> OrderedDict:
         """Run most of the sanity checks
@@ -616,7 +416,6 @@ def get_mof_descriptors(self) -> OrderedDict:
                 ("formula", self.formula),
                 ("path", self._filename),
                 ("density", self.density),
-                ("has_oms", self.has_oms),
                 ("has_carbon", self.has_carbon),
                 ("has_hydrogen", self.has_hydrogen),
                 ("has_atomic_overlaps", self.has_atomic_overlaps),
@@ -626,90 +425,29 @@ def get_mof_descriptors(self) -> OrderedDict:
                 ("has_undercoordinated_c", self.has_undercoordinated_c),
                 ("has_undercoordinated_n", self.has_undercoordinated_n),
                 ("has_metal", self.has_metal),
-                ("has_lone_atom", self.has_lone_atom),
                 ("has_lone_molecule", self.has_lone_molecule),
                 ("has_high_charges", self.has_high_charges),
-                ("has_undercoordinated_metal", self.has_undercoordinated_metal),
+                # ("has_undercoordinated_metal", self.has_undercoordinated_metal),
                 ("is_porous", self.is_porous),
+                ("has_suspicicious_terminal_oxo", self.has_suspicicious_terminal_oxo),
             )
         )
         return result_dict
 
-    def get_metal_descriptors_for_site(self, site_index: int) -> dict:
-        """Computes the checks for one metal site"""
-        if not self.has_metal:
-            raise NoMetal
-        return self._get_metal_descriptors_for_site(site_index)
+    # def _has_low_metal_coordination(self):
+    #     for site_index in self.metal_indices:
+    #         if _check_metal_coordination(self.structure[site_index],
+    #                                      self.get_cn(site_index)):
+    #             if self.is_site_open(site_index):
+    #                 return True
+    #     return False
 
-    def _get_metal_descriptors(self):
-        descriptordict = {}
-        for site_index in self.metal_indices:
-            descriptordict[site_index] = self._get_metal_descriptors_for_site(
-                site_index
-            )
-
-        self.metal_features = descriptordict
-
-        return descriptordict
-
-    def _has_low_metal_coordination(self):
-        for site_index in self.metal_indices:
-            if _check_metal_coordination(
-                self.structure[site_index], self.get_cn(site_index)
-            ):
-                if self.is_site_open(site_index):
-                    return True
-        return False
-
-    @property
-    def has_undercoordinated_metal(self):
-        """Check if a metal has unusually low coordination"""
-        return self._has_low_metal_coordination()
-
-    def get_metal_descriptors(self) -> dict:
-        """Return local structure order parameters for coordination number (CN),
-        element string and wheter site is open or not. Key is the site index.
-
-        Raises:
-            NoMetal: If no metal can be found in the structure
-
-        Returns:
-            dict: Key is the site index.
-        """
-        if not self.has_metal:
-            raise NoMetal
-        return self._get_metal_descriptors()
+    # @property
+    # def has_undercoordinated_metal(self):
+    #     """Check if a metal has unusually low coordination"""
+    #     return self._has_low_metal_coordination()
 
     @property
     def has_metal(self):
         """Checks if there is at least one metal in the structure"""
-        if self.metal_indices:
-            return True
-        return False
-
-    @property
-    def has_oms(self) -> bool:
-        """True if the structure contains open metal sites (OMS).
-        Also returns True in case of low coordination numbers (CN <=3)
-        which typically indicate open coordination for MOFs.
-        For high coordination numbers, no good order parameter for open
-        structures is available, and so we return `None` even though
-        this might change in a future release.
-
-        Raises:
-            NoMetal: Raised if the structure contains no metal
-
-        Returns:
-            [bool]: True if the structure contains OMS
-        """
-        if not self.has_metal:
-            raise NoMetal("This structure does not contain a metal")
-        if self._has_oms is not None:  # pylint:disable=no-else-return
-            return self._has_oms
-        else:
-            for site_index in self.metal_indices:
-                if self.is_site_open(site_index):
-                    self._has_oms = True
-                    return True
-            self._has_oms = False
-            return False
+        return self._checks["has_metal"].is_ok
diff --git a/mofchecker/checks/charge_check.py b/mofchecker/checks/charge_check.py
new file mode 100644
index 0000000..9f4a591
--- /dev/null
+++ b/mofchecker/checks/charge_check.py
@@ -0,0 +1,25 @@
+# -*- coding: utf-8 -*-
+from tempfile import NamedTemporaryFile
+
+import numpy as np
+from pyeqeq.main import run_on_cif
+
+from .check_base import AbstractCheck
+
+
+class ChargeCheck(AbstractCheck):
+    def __init__(self, structure):
+        self.structure = structure
+        self.threshold = 3
+
+    @property
+    def description(self):
+        return f"Check that the charges of the structure are reasonable (abs(charge) not higher than {self.threshold})."
+
+    def _run_check(self):
+        with NamedTemporaryFile("w", suffix=".cif") as file:
+            self.structure.to("cif", file.name)
+            charges = run_on_cif(file.name)
+            has_high_charges = np.sum(np.abs(charges) > self.threshold)
+
+        return not has_high_charges
diff --git a/mofchecker/checks/check_base.py b/mofchecker/checks/check_base.py
new file mode 100644
index 0000000..f080ec1
--- /dev/null
+++ b/mofchecker/checks/check_base.py
@@ -0,0 +1,76 @@
+# -*- coding: utf-8 -*-
+import abc
+
+from backports.cached_property import cached_property
+
+
+class AbstractCheck(abc.ABC):
+    @property
+    @abc.abstractmethod
+    def description(self):
+        pass
+
+    @cached_property
+    def is_ok(self):
+        return self._run_check()
+
+    @abc.abstractmethod
+    def _run_check(self):
+        pass
+
+
+class AbstractIndexCheck(abc.ABC):
+    @property
+    @abc.abstractmethod
+    def description(self):
+        pass
+
+    @cached_property
+    def is_ok_and_indices(self):
+        result, indices = self._run_check()
+        return result, indices
+
+    @cached_property
+    def is_ok(self):
+        result, _ = self.is_ok_and_indices
+        return result
+
+    @cached_property
+    def flagged_indices(self):
+        _, indices = self.is_ok_and_indices
+        return indices
+
+    @abc.abstractmethod
+    def _run_check(self):
+        pass
+
+
+class AbstractMissingCheck(abc.ABC):
+    @property
+    @abc.abstractmethod
+    def description(self):
+        pass
+
+    @cached_property
+    def is_ok_indices_positions(self):
+        result, indices, positions = self._run_check()
+        return result, indices, positions
+
+    @property
+    def is_ok(self):
+        result, _, _ = self.is_ok_indices_positions
+        return result
+
+    @property
+    def flagged_indices(self):
+        _, indices, _ = self.is_ok_indices_positions
+        return indices
+
+    @property
+    def candidate_positions(self):
+        _, _, positions = self.is_ok_indices_positions
+        return positions
+
+    @abc.abstractmethod
+    def _run_check(self):
+        pass
diff --git a/mofchecker/checks/data/__init__.py b/mofchecker/checks/data/__init__.py
new file mode 100644
index 0000000..4033484
--- /dev/null
+++ b/mofchecker/checks/data/__init__.py
@@ -0,0 +1,34 @@
+# -*- coding: utf-8 -*-
+"""Module for radii lookups"""
+import warnings
+
+import numpy as np
+
+from .definitions import COVALENT_RADII, VDW_RADII
+
+_COVALENT_RADII_MEDIAN = np.median(list(COVALENT_RADII.values()))
+_VDW_RADII_MEDIAN = np.median(list(VDW_RADII.values()))
+
+
+def _get_covalent_radius(element):
+    try:
+        radius = COVALENT_RADII[element]
+
+    except KeyError:
+        radius = _COVALENT_RADII_MEDIAN
+        warnings.warn(
+            f"Covalent radius for {element} unknown. Using median {radius:.2f}."
+        )
+    return radius
+
+
+def _get_vdw_radius(element):
+    try:
+        radius = VDW_RADII[element]
+
+    except KeyError:
+        radius = _VDW_RADII_MEDIAN
+        warnings.warn(
+            f"Van-der-Waals radius for {element} unknown. Using median {radius:.2f}."
+        )
+    return radius
diff --git a/mofchecker/checks/data/definitions.py b/mofchecker/checks/data/definitions.py
new file mode 100644
index 0000000..d8b7f1f
--- /dev/null
+++ b/mofchecker/checks/data/definitions.py
@@ -0,0 +1,211 @@
+# -*- coding: utf-8 -*-
+"""Constants reused in all parts of the code"""
+
+COVALENT_RADII = {
+    # Covalent radii revisited -- DOI:10.1039/B801115J
+    "H": 0.31,
+    "He": 0.28,
+    "Li": 1.28,
+    "Be": 0.96,
+    "B": 0.84,
+    "C": 0.76,  # for sp3; sp2 = 0.73; sp = 0.69
+    "C_1": 0.69,
+    "C_2": 0.73,
+    "C_R": 0.73,
+    "C_3": 0.76,
+    "N": 0.71,
+    "O": 0.66,
+    "F": 0.57,
+    "Ne": 0.58,
+    "Na": 1.66,
+    "Mg": 1.41,
+    "Al": 1.21,
+    "Si": 1.11,
+    "P": 1.07,
+    "S": 1.05,
+    "Cl": 1.02,
+    "Ar": 1.06,
+    "K": 2.03,
+    "Ca": 1.76,
+    "Sc": 1.7,
+    "Ti": 1.6,
+    "V": 1.53,
+    "Cr": 1.39,
+    "Mn": 1.61,  # low spin = 1.39
+    "Fe": 1.52,  # low spin = 1.32
+    "Co": 1.5,  # low spin = 1.26
+    "Ni": 1.24,
+    "Cu": 1.32,
+    "Zn": 1.22,
+    "Ga": 1.22,
+    "Ge": 1.2,
+    "As": 1.19,
+    "Se": 1.2,
+    "Br": 1.2,
+    "Kr": 1.16,
+    "Rb": 2.2,
+    "Sr": 1.95,
+    "Y": 1.9,
+    "Zr": 1.5,  # 1.75  !! temporarily added to correct the UIO cluster bonding problem
+    "Nb": 1.64,
+    "Mo": 1.54,
+    "Tc": 1.47,
+    "Ru": 1.46,
+    "Rh": 1.42,
+    "Pd": 1.39,
+    "Ag": 1.45,
+    "Cd": 1.44,
+    "In": 1.42,
+    "Sn": 1.39,
+    "Sb": 1.39,
+    "Te": 1.38,
+    "I": 1.39,
+    "Xe": 1.4,
+    "Cs": 2.44,
+    "Ba": 2.15,
+    "La": 2.07,
+    "Ce": 2.04,
+    "Pr": 2.03,
+    "Nd": 2.01,
+    "Pm": 1.99,
+    "Sm": 1.98,
+    "Eu": 1.98,
+    "Gd": 1.96,
+    "Tb": 1.94,
+    "Dy": 1.92,
+    "Ho": 1.92,
+    "Er": 1.89,
+    "Tm": 1.9,
+    "Yb": 1.87,
+    "Lu": 1.87,
+    "Hf": 1.75,
+    "Ta": 1.7,
+    "W": 1.62,
+    "Re": 1.51,
+    "Os": 1.44,
+    "Ir": 1.41,
+    "Pt": 1.36,
+    "Au": 1.36,
+    "Hg": 1.32,
+    "Tl": 1.45,
+    "Pb": 1.46,
+    "Bi": 1.48,
+    "Po": 1.4,
+    "At": 1.5,
+    "Rn": 1.5,
+    "Fr": 2.6,
+    "Ra": 2.21,
+    "Ac": 2.15,
+    "Th": 2.06,
+    "Pa": 2.0,
+    "U": 1.96,
+    "Np": 1.9,
+    "Pu": 1.87,
+    "Am": 1.8,
+    "Cm": 1.69,
+}
+
+VDW_RADII = {
+    "H": 1.1,
+    "He": 1.4,
+    "Li": 1.81,
+    "Be": 1.53,
+    "B": 1.92,
+    "C": 1.7,
+    "N": 1.55,
+    "O": 1.52,
+    "F": 1.47,
+    "Ne": 1.54,
+    "Na": 2.27,
+    "Mg": 1.73,
+    "Al": 1.84,
+    "Si": 2.1,
+    "P": 1.8,
+    "S": 1.8,
+    "Cl": 1.75,
+    "Ar": 1.88,
+    "K": 2.75,
+    "Ca": 2.31,
+    "Sc": 2.16,
+    "Ti": 1.87,
+    "V": 1.79,
+    "Cr": 1.89,
+    "Mn": 1.97,
+    "Fe": 1.94,
+    "Co": 1.92,
+    "Ni": 1.84,
+    "Cu": 1.86,
+    "Zn": 2.1,
+    "Ga": 1.87,
+    "Ge": 2.11,
+    "As": 1.85,
+    "Se": 1.9,
+    "Br": 1.83,
+    "Kr": 2.02,
+    "Rb": 3.03,
+    "Sr": 2.49,
+    "Y": 2.19,
+    "Zr": 1.86,
+    "Nb": 2.07,
+    "Mo": 2.09,
+    "Tc": 2.09,
+    "Ru": 2.07,
+    "Rh": 1.95,
+    "Pd": 2.02,
+    "Ag": 2.03,
+    "Cd": 2.3,
+    "In": 1.93,
+    "Sn": 2.17,
+    "Sb": 2.06,
+    "Te": 2.06,
+    "I": 1.98,
+    "Xe": 2.16,
+    "Cs": 3.43,
+    "Ba": 2.68,
+    "La": 2.4,
+    "Ce": 2.35,
+    "Pr": 2.39,
+    "Nd": 2.29,
+    "Pm": 2.36,
+    "Sm": 2.29,
+    "Eu": 2.33,
+    "Gd": 2.37,
+    "Tb": 2.21,
+    "Dy": 2.29,
+    "Ho": 2.16,
+    "Er": 2.35,
+    "Tm": 2.27,
+    "Yb": 2.42,
+    "Lu": 2.21,
+    "Hf": 2.12,
+    "Ta": 2.17,
+    "W": 2.1,
+    "Re": 2.17,
+    "Os": 2.16,
+    "Ir": 2.02,
+    "Pt": 2.09,
+    "Au": 2.17,
+    "Hg": 2.09,
+    "Tl": 1.96,
+    "Pb": 2.02,
+    "Bi": 2.07,
+    "Po": 1.97,
+    "At": 2.02,
+    "Rn": 2.2,
+    "Fr": 3.48,
+    "Ra": 2.83,
+    "Ac": 2.6,
+    "Th": 2.37,
+    "Pa": 2.43,
+    "U": 2.4,
+    "Np": 2.21,
+    "Pu": 2.43,
+    "Am": 2.44,
+    "Cm": 2.45,
+    "Bk": 2.44,
+    "Cf": 2.45,
+    "Es": 2.45,
+    "Fm": 2.45,
+    "Md": 2.46,
+    "Lr": 2.46,
+}
diff --git a/mofchecker/checks/floating_solvent.py b/mofchecker/checks/floating_solvent.py
new file mode 100644
index 0000000..8d17daf
--- /dev/null
+++ b/mofchecker/checks/floating_solvent.py
@@ -0,0 +1,36 @@
+# -*- coding: utf-8 -*-
+"""Check that attempts to find connected components in the cell that do not cross PBC"""
+import networkx as nx
+
+from ..graph import get_subgraphs_as_molecules
+from .check_base import AbstractIndexCheck
+
+
+class FloatingSolventCheck(AbstractIndexCheck):
+    """Checks if there is any non-periodic connected component in the cell,
+    which can be a solvent, charge compensating counter ion, etc."""
+
+    def __init__(self, structure_graph):
+        self.structure_graph = structure_graph
+        nx.set_node_attributes(
+            self.structure_graph.graph,
+            name="idx",
+            values=dict(zip(range(len(structure_graph)), range(len(structure_graph)))),
+        )
+
+    @classmethod
+    def from_mofchecker(cls, mofchecker):
+        """Initialize a checker from a mofchecker instance"""
+        checker = cls(mofchecker.graph)
+        return checker
+
+    def _run_check(self):
+        _, _, idx, _, _ = get_subgraphs_as_molecules(
+            self.structure_graph, return_unique=False
+        )
+        return len(idx) == 0, idx
+
+    @property
+    def description(self):
+        return "Checks if there is any non-periodic connected component in the cell,\
+             which can be a solvent, charge compensating counter ion, etc."
diff --git a/mofchecker/checks/global_structure/__init__.py b/mofchecker/checks/global_structure/__init__.py
new file mode 100644
index 0000000..5bfb36d
--- /dev/null
+++ b/mofchecker/checks/global_structure/__init__.py
@@ -0,0 +1,69 @@
+# -*- coding: utf-8 -*-
+"""Checks on the composition"""
+from ..check_base import AbstractCheck
+from ..utils.get_indices import (
+    get_c_indices,
+    get_h_indices,
+    get_metal_indices,
+    get_n_indices,
+)
+
+
+class HasCarbon(AbstractCheck):
+    "Checks if the structure has any carbon atom."
+
+    def __init__(self, structure):
+        self.structure = structure
+
+    def _run_check(self):
+        c_indices = get_c_indices(self.structure)
+        return len(c_indices) > 0
+
+    @property
+    def description(self):
+        return "Checks if the structure has any carbon atom."
+
+
+class HasNitrogen(AbstractCheck):
+    "Checks if the structure has any nitrogen atom."
+
+    def __init__(self, structure):
+        self.structure = structure
+
+    def _run_check(self):
+        n_indices = get_n_indices(self.structure)
+        return len(n_indices) > 0
+
+    @property
+    def description(self):
+        return "Checks if the structure has any nitrogen atom."
+
+
+class HasHydrogen(AbstractCheck):
+    "Checks if the structure has any hydrogen atom."
+
+    def __init__(self, structure):
+        self.structure = structure
+
+    def _run_check(self):
+        h_indices = get_h_indices(self.structure)
+        return len(h_indices) > 0
+
+    @property
+    def description(self):
+        return "Checks if the structure has any hydrogen atom."
+
+
+class HasMetal(AbstractCheck):
+    "Checks if the structure has any metal atom."
+
+    def __init__(self, structure):
+        self.structure = structure
+
+    def _run_check(self):
+        metal_indices = get_metal_indices(self.structure)
+        return len(metal_indices) > 0
+
+    @property
+    def description(self):
+        return "Checks if the structure has any metal atom."
diff --git a/mofchecker/checks/hash.py b/mofchecker/checks/hash.py
deleted file mode 100644
index 7df0b5f..0000000
--- a/mofchecker/checks/hash.py
+++ /dev/null
@@ -1,20 +0,0 @@
-# -*- coding: utf-8 -*-
-"""Helper functions for the graph hash calculation"""
-import networkx as nx
-from pymatgen.analysis.graphs import StructureGraph
-from pymatgen.core import Structure
-
-
-def construct_clean_graph(
-    structure: Structure, structure_graph: StructureGraph
-) -> nx.Graph:
-    """Creates a networkx graph with atom numbers as node labels"""
-    edges = {(u, v) for u, v, d in structure_graph.graph.edges(keys=False, data=True)}
-    graph = nx.Graph()
-    graph.add_edges_from(edges)
-
-    for node in graph.nodes:
-
-        graph.nodes[node]["specie"] = str(structure[node].specie)
-
-    return graph
diff --git a/mofchecker/checks/local_structure/__init__.py b/mofchecker/checks/local_structure/__init__.py
new file mode 100644
index 0000000..9d44422
--- /dev/null
+++ b/mofchecker/checks/local_structure/__init__.py
@@ -0,0 +1,8 @@
+# -*- coding: utf-8 -*-
+from .false_oxo import FalseOxoCheck
+from .overcoordinated_carbon import OverCoordinatedCarbonCheck
+from .overcoordinated_hydrogen import OverCoordinatedHydrogenCheck
+from .overcoordinated_nitrogen import OverCoordinatedNitrogenCheck
+from .overlapping_atoms import AtomicOverlapCheck
+from .undercoordinated_carbon import UnderCoordinatedCarbonCheck
+from .undercoordinated_nitrogen import UnderCoordinatedNitrogenCheck
diff --git a/mofchecker/checks/local_structure/base_coordination_check.py b/mofchecker/checks/local_structure/base_coordination_check.py
new file mode 100644
index 0000000..0f96187
--- /dev/null
+++ b/mofchecker/checks/local_structure/base_coordination_check.py
@@ -0,0 +1,31 @@
+# -*- coding: utf-8 -*-
+"""Base class for checks on coordination numbers/environments"""
+import abc
+
+from ...graph import _get_cn
+from ..check_base import AbstractIndexCheck
+
+
+class BaseCoordinationCheck(AbstractIndexCheck):
+    """Base class for checks on coordination numbers/environments"""
+
+    @abc.abstractmethod
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.structure_graph = structure_graph
+
+    def get_cn(self, index):
+        """Get coordination number of index"""
+        return _get_cn(self.structure_graph, index)
+
+    def get_connected_sites(self, index):
+        """Get sites connected to index"""
+        return self.structure_graph.get_connected_sites(index)
+
+    @classmethod
+    def from_mofchecker(cls, mofchecker):
+        """Create a checker instance from a mofchecker instance"""
+        checker = cls(mofchecker.structure, mofchecker.graph)
+        checker.get_cn = mofchecker.get_cn
+        checker.get_connected_sites = mofchecker.get_connected_sites
+        return checker
diff --git a/mofchecker/checks/local_structure/base_missing_check.py b/mofchecker/checks/local_structure/base_missing_check.py
new file mode 100644
index 0000000..d08394f
--- /dev/null
+++ b/mofchecker/checks/local_structure/base_missing_check.py
@@ -0,0 +1,31 @@
+# -*- coding: utf-8 -*-
+"""Base class for checks for missing atoms, i.e., "undervalent" checks"""
+import abc
+
+from ...graph import _get_cn
+from ..check_base import AbstractMissingCheck
+
+
+class BaseMissingCheck(AbstractMissingCheck):
+    """Base class for checks for missing atoms, i.e., "undervalent" checks"""
+
+    @abc.abstractmethod
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.structure_graph = structure_graph
+
+    def get_cn(self, index):
+        """Get coordination number of index"""
+        return _get_cn(self.structure_graph, index)
+
+    def get_connected_sites(self, index):
+        """Get sites connected to index"""
+        return self.structure_graph.get_connected_sites(index)
+
+    @classmethod
+    def from_mofchecker(cls, mofchecker):
+        """Initialize a checker instance from a mofchecker instance"""
+        checker = cls(mofchecker.structure, mofchecker.graph)
+        checker.get_cn = mofchecker.get_cn
+        checker.get_connected_sites = mofchecker.get_connected_sites
+        return checker
diff --git a/mofchecker/checks/local_structure/false_oxo.py b/mofchecker/checks/local_structure/false_oxo.py
new file mode 100644
index 0000000..c37cd55
--- /dev/null
+++ b/mofchecker/checks/local_structure/false_oxo.py
@@ -0,0 +1,75 @@
+# -*- coding: utf-8 -*-
+"""Original idea and implementation idea contributed by Andrew Rosen,
+https://github.com/kjappelbaum/mofchecker/issues/122"""
+
+from ..utils.get_indices import get_metal_indices
+from .base_coordination_check import BaseCoordinationCheck
+
+NO_TERMINAL_OXO = [
+    "Li",
+    "Na",
+    "K",
+    "Rb",
+    "Cs",
+    "Fr",
+    "Be",
+    "Mg",
+    "Ca",
+    "Sr",
+    "Ba",
+    "Ra",
+    "Sc",
+    "Y",
+    "La",
+    "Ac",
+    "Ti",
+    "Zr",
+    "Hf",
+    "Mn",
+    "Fe",
+    "Co",
+    "Ni",
+    "Cu",
+    "Ag",
+    "Zn",
+    "Cd",
+    "Al",
+    "Ga",
+    "In",
+    "Tl",
+]
+
+
+class FalseOxoCheck(BaseCoordinationCheck):
+    """Checks if there is a metal with oxo group,
+    for which such a group is unexpected."""
+
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.metal_indices = get_metal_indices(self.structure)
+        self.structure_graph = structure_graph
+
+    @property
+    def description(self):
+        return "Checks if there is a metal with oxo group,\
+             for which such a group is unexpected."
+
+    def _run_check(self):
+        wrong_oxo = self._get_wrong_oxo()
+        return len(wrong_oxo) == 0, wrong_oxo
+
+    def _get_wrong_oxo(self):
+        """Check for all metals if there are unexpected oxo group."""
+        wrong_oxo = []
+
+        for site_index in self.metal_indices:
+            if str(self.structure[site_index].specie) in NO_TERMINAL_OXO:
+
+                neighbors = self.get_connected_sites(site_index)
+                for neighbor in neighbors:
+                    neighbor_neighbors = self.get_connected_sites(neighbor.index)
+                    if len(neighbor_neighbors) == 1:
+                        if str(neighbor.site.specie) == "O":
+                            wrong_oxo.append(neighbor_neighbors[0].index)
+
+        return wrong_oxo
diff --git a/mofchecker/checks/local_structure/geometry.py b/mofchecker/checks/local_structure/geometry.py
new file mode 100644
index 0000000..a50a2f2
--- /dev/null
+++ b/mofchecker/checks/local_structure/geometry.py
@@ -0,0 +1,251 @@
+# -*- coding: utf-8 -*-
+"""Utilities for geometry operations"""
+import math
+
+import numpy as np
+from pymatgen.core import Structure
+
+from ..utils.get_indices import is_metal
+
+
+def rotation_matrix(axis, theta):  # pylint: disable=too-many-locals
+    """
+    Return the rotation matrix associated with counterclockwise rotation about
+    the given axis by theta radians.
+    Stolen from https://stackoverflow.com/questions/6802577/rotation-of-3d-vector
+    """
+    axis = axis / math.sqrt(np.dot(axis, axis))
+    a = math.cos(theta / 2.0)  # pylint:disable=invalid-name
+    b, c, d = -axis * math.sin(theta / 2.0)  # pylint:disable=invalid-name
+    aa, bb, cc, dd = a * a, b * b, c * c, d * d  # pylint:disable=invalid-name
+    bc, ad, ac, ab, bd, cd = (  # pylint:disable=invalid-name
+        b * c,
+        a * d,
+        a * c,
+        a * b,
+        b * d,
+        c * d,
+    )
+    return np.array(
+        [
+            [aa + bb - cc - dd, 2 * (bc + ad), 2 * (bd - ac)],
+            [2 * (bc - ad), aa + cc - bb - dd, 2 * (cd + ab)],
+            [2 * (bd + ac), 2 * (cd - ab), aa + dd - bb - cc],
+        ]
+    )
+
+
+def _maximum_angle(angle):
+    diff_to_180 = np.abs(180 - angle)
+    return max([angle, diff_to_180])
+
+
+def _guess_underbound_nitrogen_cn3(
+    structure: Structure, site_index: int, neighbors: list, tolerance: int = 10
+) -> bool:
+    """Check if there is a nitrogen with three neighbors
+    that likely misses some coordination.
+
+    Args:
+        structure (Structure): pymatgen Structure object
+        site_index (int): index of the central site that is check
+        neighbors (list): list of neighboring sites
+        tolerance (int, optional): Tolerance for angle checks in degree.
+            Defaults to 10.
+
+    Returns:
+        bool: True if the nitrogen is likely missing some coordination partner
+    """
+    angle_a = structure.get_angle(site_index, neighbors[0].index, neighbors[1].index)
+    angle_b = structure.get_angle(site_index, neighbors[0].index, neighbors[2].index)
+    angle_c = structure.get_angle(site_index, neighbors[1].index, neighbors[2].index)
+    min_angle = np.min([angle_a, angle_b, angle_c])
+
+    any_metal = False
+    for neighbor in neighbors:
+        if is_metal(neighbor.site):
+            any_metal = True
+
+    num_h = 0
+    for neighbor in neighbors:
+        if str(neighbor.site.specie) == "H":
+            num_h += 1
+
+    if min_angle + tolerance < 110:
+        # let's only do this if one of the neighbors is a metal.
+        # sometimes the M-N bond is so long that it isn't correctly recognized
+        # obviously, this now won't detect missing H on a floating NH3
+        # but this is probably a rare situation
+        if any_metal and (num_h == 2):
+            return True
+
+    return False
+
+
+def _guess_underbound_nitrogen_cn2(  # pylint:disable=too-many-arguments
+    structure: Structure,
+    site_index: int,
+    neighbors: list,
+    connected_sites_a: list,
+    connected_sites_b: list,
+    tolerance: int = 10,
+) -> bool:
+    """Check if there is a nitrogen with CN 2 that probably misses
+    some coordination.
+
+    Args:
+        structure (Structure): pymatgen Structure object
+        site_index (int): Index of the site on which the check is performed
+        neighbors (list): List of neighboring sites
+        connected_sites_a (list): List of neighbor sites for first neighbor
+        connected_sites_b (list): List of neighbor sites for second neighbor
+        tolerance (int, optional): Tolerance for angle checks in degree.
+             Defaults to 10.
+
+    Returns:
+        bool: True if there is a nitrogen that likely misses some coordination.
+    """
+    angle = structure.get_angle(site_index, neighbors[0].index, neighbors[1].index)
+    neighbor_species = set(
+        [str(neighbors[0].site.specie), str(neighbors[1].site.specie)]
+    )
+
+    if (np.abs(180 - angle) < tolerance) or (np.abs(0 - angle) < tolerance):
+        # sp hybridization if the nitrogen is linear
+        # this could be a nitride or a nitrosyl
+        # usually, there is nothing to worry about if this is the case
+        return False
+    if angle < 115:
+        # typically angle around 109.5 degree for sp3 hybridization
+        # if we only have two neighbors but the nitrogen is likely
+        # sp3 this is suspicious
+        # to be sure we will check if it is planar (pyridine) or
+        # not (piperazine) in the case the two neighbors are carbon
+        # if neighbor_species == set(["C", "C"]):
+
+        dihedral_a = structure.get_dihedral(
+            site_index,
+            neighbors[0].index,
+            neighbors[1].index,
+            connected_sites_a[0].index,
+        )
+        dihedral_b = structure.get_dihedral(
+            site_index,
+            neighbors[0].index,
+            neighbors[1].index,
+            connected_sites_b[0].index,
+        )
+
+        mean_dihedral = np.mean([dihedral_a, dihedral_b])
+        if (np.abs(mean_dihedral - 180) < tolerance) or (
+            np.abs(mean_dihedral - 0) < tolerance
+        ):
+            return False
+        return True
+
+    # larger angles should indicate sp2 hybridization
+    # one case where MOFs might have an issue with sp2
+    # is an NH2 group planar to the ring where one H is missing
+    # the heuristic we use to catch this is if one of the neighbors
+    # is H
+    if "H" in neighbor_species:
+        return True
+    return False
+
+
+def make_vec(start, end, length=None):
+    """Create a vector based on a start and end position"""
+    vector = end - start
+    if length is not None:
+        vector = vector / np.linalg.norm(vector) * length
+    return vector
+
+
+def add_sp_hydrogen(site, neighbors, length: float = 1):
+    """x#C -> x#C-H"""
+    assert len(neighbors) == 1
+    vector = make_vec(site.coords, neighbors[0].site.coords, length)
+    h_coords = site.coords + vector
+    return h_coords
+
+
+def add_sp2_hydrogen(site, neighbors, length: float = 1):
+    """convert x-C=z to x-CH-z"""
+    assert len(neighbors) == 2
+
+    vector0 = make_vec(neighbors[0].site.coords, site.coords)
+    vector1 = make_vec(neighbors[1].site.coords, site.coords)
+    summed = vector0 + vector1
+    summed = summed / np.linalg.norm(summed) * length
+    h_coords = site.coords + summed
+    return h_coords
+
+
+def add_methylene_hydrogens(site, neighbors, length: float = 1):
+    """convert x-C-z to z-CH2-z"""
+    assert len(neighbors) == 2
+    vector = make_vec(neighbors[0].site.coords, site.coords)
+    vector1 = make_vec(neighbors[1].site.coords, site.coords)
+    summed = vector + vector1
+
+    normal = np.cross(vector, vector1)
+
+    hydrogen_1 = summed + normal
+    hydrogen_1 /= np.linalg.norm(hydrogen_1) * length
+
+    hydrogen_2 = summed - normal
+    hydrogen_2 /= np.linalg.norm(hydrogen_2) * length
+
+    hydrogen_1 = site.coords + hydrogen_1
+    hydrogen_2 = site.coords + hydrogen_2
+    return [hydrogen_1, hydrogen_2]
+
+
+def get_some_orthorgonal_vector(vector):
+    """Based on a vector generate some orthogonal vector by
+    cross product with a random vector. Will fail if the randly chosen
+    vector is parallel to the input vector."""
+    rand_vec = np.array([np.random.rand(), np.random.rand(), np.random.rand()])
+    new_vec = np.cross(rand_vec, vector)
+    new_vec /= np.linalg.norm(new_vec)
+    return new_vec
+
+
+def add_sp3_hydrogen(site, neighbors, length: float = 1):
+    """H2N-M --> H3N-M"""
+    vector = make_vec(neighbors[0].site.coords, site.coords)
+    vector1 = make_vec(neighbors[1].site.coords, site.coords)
+
+    vector /= np.linalg.norm(vector)
+    vector1 /= np.linalg.norm(vector1)
+    summed = vector + vector1
+    summed = summed / np.linalg.norm(summed) * length
+    new_position = site.coords + summed
+
+    return new_position
+
+
+def add_sp3_hydrogens_on_cn1(site, neighbors, length: float = 1):
+    """
+    We make a simple geometric construction based on a triangle which normal vector is
+    - the vector from the current neighbor and the central atom.
+    The cross product then gives us the next vector which we then only need to rotate
+    twice around 120 degrees.
+    """
+    vector = make_vec(neighbors[0].site.coords, site.coords)
+
+    center = site.coords + vector / np.linalg.norm(vector) * length * np.cos(
+        np.deg2rad(71)
+    )
+    orthogonal_vector = (
+        get_some_orthorgonal_vector(vector) * length * np.sin(np.deg2rad(71))
+    )
+
+    second_vec = np.dot(rotation_matrix(vector, np.deg2rad(120)), orthogonal_vector)
+    third_vec = np.dot(rotation_matrix(vector, np.deg2rad(240)), orthogonal_vector)
+
+    first_h = center + orthogonal_vector
+    second_h = center + second_vec
+    third_h = center + third_vec
+
+    return [first_h, second_h, third_h]
diff --git a/mofchecker/checks/local_structure/overcoordinated_carbon.py b/mofchecker/checks/local_structure/overcoordinated_carbon.py
new file mode 100644
index 0000000..c4865e5
--- /dev/null
+++ b/mofchecker/checks/local_structure/overcoordinated_carbon.py
@@ -0,0 +1,30 @@
+# -*- coding: utf-8 -*-
+from ..utils.get_indices import _is_any_neighbor_metal, get_c_indices
+from .base_coordination_check import BaseCoordinationCheck
+
+
+class OverCoordinatedCarbonCheck(BaseCoordinationCheck):
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.c_indices = get_c_indices(self.structure)
+        self.structure_graph = structure_graph
+
+    @property
+    def description(self):
+        return "Checks, using geometric heuristics, if there are any carbons that are likely overcoordinated (i.e., CN>4)."
+
+    def _run_check(self):
+        overcoordinated_carbons = self._get_overcoordinated_carbons()
+        return len(overcoordinated_carbons) == 0, overcoordinated_carbons
+
+    def _get_overcoordinated_carbons(self):
+        """Check for all C if CN>4, ignore metal bonds."""
+        overcoordinated_carbons = []
+
+        for site_index in self.c_indices:
+            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
+            if cn > 4:
+                if not _is_any_neighbor_metal(self.get_connected_sites(site_index)):
+                    overcoordinated_carbons.append(site_index)
+
+        return overcoordinated_carbons
diff --git a/mofchecker/checks/local_structure/overcoordinated_hydrogen.py b/mofchecker/checks/local_structure/overcoordinated_hydrogen.py
new file mode 100644
index 0000000..e49c4ae
--- /dev/null
+++ b/mofchecker/checks/local_structure/overcoordinated_hydrogen.py
@@ -0,0 +1,35 @@
+# -*- coding: utf-8 -*-
+"""Flagging overcoordinated hydrogens"""
+from ..data import _get_vdw_radius
+from ..utils.get_indices import get_h_indices
+from .base_coordination_check import BaseCoordinationCheck
+
+
+class OverCoordinatedHydrogenCheck(BaseCoordinationCheck):
+    """Flagging overcoordinated hydrogens"""
+
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.h_indices = get_h_indices(self.structure)
+        self.structure_graph = structure_graph
+
+    @property
+    def description(self):
+        return "Checks, using geometric heuristics,\
+             if there are any hydrogen that are likely overcoordinated (i.e., CN>1)."
+
+    def _run_check(self):
+        overcoordinated_hydrogens = self._get_overcoordinated_hydrogens()
+        return len(overcoordinated_hydrogens) == 0, overcoordinated_hydrogens
+
+    def _get_overcoordinated_hydrogens(self):
+        """Check for all H if CN>1, ignore metal bonds."""
+        overcoordinated_hydrogens = []
+
+        for site_index in self.h_indices:
+            neighbors = self.structure.get_neighbors(
+                self.structure[site_index], _get_vdw_radius("H")
+            )  # pylint:disable=invalid-name
+            if len(neighbors) > 1:
+                overcoordinated_hydrogens.append(site_index)
+        return overcoordinated_hydrogens
diff --git a/mofchecker/checks/local_structure/overcoordinated_nitrogen.py b/mofchecker/checks/local_structure/overcoordinated_nitrogen.py
new file mode 100644
index 0000000..20ce8af
--- /dev/null
+++ b/mofchecker/checks/local_structure/overcoordinated_nitrogen.py
@@ -0,0 +1,30 @@
+# -*- coding: utf-8 -*-
+from ..utils.get_indices import _is_any_neighbor_metal, get_n_indices
+from .base_coordination_check import BaseCoordinationCheck
+
+
+class OverCoordinatedNitrogenCheck(BaseCoordinationCheck):
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.n_indices = get_n_indices(self.structure)
+        self.structure_graph = structure_graph
+
+    @property
+    def description(self):
+        return "Checks, using geometric heuristics, if there are any carbons that are likely overcoordinated (i.e., CN>4)."
+
+    def _run_check(self):
+        overcoordinated_nitrogen = self._get_overcoordinated_nitrogen()
+        return len(overcoordinated_nitrogen) == 0, overcoordinated_nitrogen
+
+    def _get_overcoordinated_nitrogen(self):
+        """Check for all N if CN>4, ignore metal bonds."""
+        overcoordinated_nitrogen = []
+
+        for site_index in self.n_indices:
+            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
+            if cn > 4:
+                if not _is_any_neighbor_metal(self.get_connected_sites(site_index)):
+                    overcoordinated_nitrogen.append(site_index)
+
+        return overcoordinated_nitrogen
diff --git a/mofchecker/checks/local_structure/overlapping_atoms.py b/mofchecker/checks/local_structure/overlapping_atoms.py
new file mode 100644
index 0000000..15d221d
--- /dev/null
+++ b/mofchecker/checks/local_structure/overlapping_atoms.py
@@ -0,0 +1,61 @@
+# -*- coding: utf-8 -*-
+import warnings
+
+import numpy as np
+from pymatgen.core import Structure
+from scipy import sparse
+
+from ..check_base import AbstractIndexCheck
+from ..data import _get_covalent_radius
+
+
+class AtomicOverlapCheck(AbstractIndexCheck):
+    def __init__(self, structure):
+        self.structure = structure
+        self.indices = None
+
+    def _run_check(self):
+        overlaps = _get_overlaps(self.structure)
+        return len(overlaps) == 0, overlaps
+
+    @property
+    def description(self):
+        return (
+            "Checks if there are atomic overlaps, based on dist < min(covr 1, covr 2)"
+        )
+
+
+def _compute_overlap_matrix(
+    distance_matrix: np.array, allatomtypes: list, tolerance: float = 1.0
+):
+    """
+    Find atomic overlap based on pairwise distance and Ccvalent radii.
+
+    Criterion: if dist < min (covr 1, covr 2) -> overlap
+        (this function is used in molsimplify)
+    """
+    with warnings.catch_warnings():
+        warnings.filterwarnings("once")  # only warn once for missing radius data
+
+        overlap_matrix = np.zeros(distance_matrix.shape)
+        for i, elem_1 in enumerate(allatomtypes[:-1]):
+            for j, elem_2 in enumerate(allatomtypes[i + 1 :]):
+                dist = distance_matrix[i, i + j + 1]
+                # check for atomic overlap:
+                if dist < tolerance * min(
+                    _get_covalent_radius(elem_1), _get_covalent_radius(elem_2)
+                ):
+                    overlap_matrix[i, i + j + 1] = 1
+                    overlap_matrix[i + j + 1, i] = 1
+    return sparse.csr_matrix(overlap_matrix)
+
+
+def _get_overlaps(s: Structure) -> list:  # pylint: disable=invalid-name
+    """Find overlapping atoms in a structure."""
+    distance_matrix = s.distance_matrix
+    atomtypes = [str(species) for species in s.species]
+    overlap_matrix = _compute_overlap_matrix(distance_matrix, atomtypes)
+    overlap_atoms = []
+    for atom in set(sparse.find(overlap_matrix)[0]):
+        overlap_atoms.append(atom.item())
+    return overlap_atoms
diff --git a/mofchecker/checks/local_structure/undercoordinated_carbon.py b/mofchecker/checks/local_structure/undercoordinated_carbon.py
new file mode 100644
index 0000000..09010a6
--- /dev/null
+++ b/mofchecker/checks/local_structure/undercoordinated_carbon.py
@@ -0,0 +1,77 @@
+# -*- coding: utf-8 -*-
+"""Check for undercoordinated carbons"""
+import numpy as np
+
+from ..utils.get_indices import get_c_indices
+from .base_missing_check import BaseMissingCheck
+from .geometry import _maximum_angle, add_sp2_hydrogen, add_sp3_hydrogens_on_cn1
+
+
+class UnderCoordinatedCarbonCheck(BaseMissingCheck):
+    """Check for undercoordinated carbons"""
+
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.c_indices = get_c_indices(self.structure)
+        self.structure_graph = structure_graph
+        self._position_candidates = None
+
+    @property
+    def description(self):
+        return "Checks, using geometric heuristics,\
+             if there are any carbons that are likely undercoordinated."
+
+    def _run_check(self):
+        (
+            undercoordinated_carbons,
+            candidate_positions,
+        ) = self._get_undercoordinated_carbons()
+        assert len(undercoordinated_carbons) == len(
+            candidate_positions
+        ), "Unexpected check error"
+        return (
+            len(undercoordinated_carbons) == 0,
+            undercoordinated_carbons,
+            candidate_positions,
+        )
+
+    def _get_undercoordinated_carbons(self, tolerance: int = 10):
+        """Idea is that carbon should at least have three neighbors if it is not sp1.
+        In sp1 case it is linear. So we can just check if there are carbons with
+        non-linear coordination with less than three neighbors. An example in CoRE
+        MOF would be AHOKIR. In principle this should also flag the quite common
+        case of benzene rings with missing hydrogens.
+        """
+        undercoordinated_carbons = []
+        h_positions = []  # output must be list of lists to allow for filtering
+
+        for site_index in self.c_indices:
+            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
+            neighbors = self.get_connected_sites(site_index)
+            if cn == 1:
+                # this will fail for alkine
+                undercoordinated_carbons.append(site_index)
+                # make it sp3
+                h_positions.append(
+                    add_sp3_hydrogens_on_cn1(self.structure[site_index], neighbors)
+                )
+            if cn == 2:
+                angle = _maximum_angle(
+                    self.structure.get_angle(
+                        site_index, neighbors[0].index, neighbors[1].index
+                    )
+                )
+                if np.abs(180 - angle) > tolerance:
+                    # if (not is_metal(neighbors[0].site)) or (
+                    #     not is_metal(neighbors[1].site)
+                    # ):
+                    # if len(_vdw_radius_neighbors(self.structure, site_index)) <= 2:
+                    undercoordinated_carbons.append(site_index)
+
+                    h_positions.append(
+                        add_sp2_hydrogen(self.structure[site_index], neighbors)
+                    )
+
+            # i wond't catch CN3 as this would need careful evaluation of the bond order
+
+        return undercoordinated_carbons, h_positions
diff --git a/mofchecker/checks/local_structure/undercoordinated_nitrogen.py b/mofchecker/checks/local_structure/undercoordinated_nitrogen.py
new file mode 100644
index 0000000..b2ee31c
--- /dev/null
+++ b/mofchecker/checks/local_structure/undercoordinated_nitrogen.py
@@ -0,0 +1,81 @@
+# -*- coding: utf-8 -*-
+"""Check for undercoordinated nitrogens"""
+from ..utils.get_indices import get_n_indices
+from .base_missing_check import BaseMissingCheck
+from .geometry import (
+    _guess_underbound_nitrogen_cn2,
+    _guess_underbound_nitrogen_cn3,
+    add_sp2_hydrogen,
+    add_sp3_hydrogen,
+    add_sp_hydrogen,
+)
+
+
+class UnderCoordinatedNitrogenCheck(BaseMissingCheck):
+    """Check for undercoordinated nitrogens"""
+
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.n_indices = get_n_indices(self.structure)
+        self.structure_graph = structure_graph
+
+    @property
+    def description(self):
+        return "Checks, using geometric heuristics,\
+             if there are any nitrogens that are likely undercoordinated."
+
+    def _run_check(self):
+        undercoordinated_nitrogens, positions = self._get_undercoordinated_nitrogens()
+        return (
+            len(undercoordinated_nitrogens) == 0,
+            undercoordinated_nitrogens,
+            positions,
+        )
+
+    def _get_undercoordinated_nitrogens(self, tolerance: int = 15):
+        """Attempts to captures missing hydrogens on nitrogen groups
+        using heuristics
+        """
+        undercoordinated_nitrogens = []
+        h_positions = []
+        for site_index in self.n_indices:
+            cn = self.get_cn(site_index)  # pylint:disable=invalid-name
+            neighbors = self.get_connected_sites(site_index)
+            print(neighbors)
+            if cn == 1:
+                # this is suspicous, but it also might a CN which is perfectly fine.
+                # to check this, we first see if the neighbor is carbon
+                # and then what its coordination number is. If it is greater than 2
+                # then we likely do not have a CN for which the carbon should be a
+                # linear sp one
+                if (self.get_cn(neighbors[0].index) > 2) and not neighbors[
+                    0
+                ].site.specie.is_metal:
+                    undercoordinated_nitrogens.append(site_index)
+                    h_positions.append(
+                        add_sp_hydrogen(self.structure[site_index], neighbors)
+                    )
+            elif cn == 2:
+                undercoordinated_nitrogen = _guess_underbound_nitrogen_cn2(
+                    self.structure,
+                    site_index,
+                    neighbors,
+                    self.get_connected_sites(neighbors[0].index),
+                    self.get_connected_sites(neighbors[1].index),
+                    tolerance,
+                )
+                if undercoordinated_nitrogen:
+                    undercoordinated_nitrogens.append(site_index)
+                    h_positions.append(
+                        add_sp2_hydrogen(self.structure[site_index], neighbors)
+                    )
+            elif cn == 3:
+                undercoordinated_nitrogen = _guess_underbound_nitrogen_cn3(
+                    self.structure, site_index, neighbors, tolerance
+                )
+                if undercoordinated_nitrogen:
+                    undercoordinated_nitrogens.append(site_index)
+                    h_positions.append(
+                        add_sp3_hydrogen(self.structure[site_index], neighbors)
+                    )
+        return undercoordinated_nitrogens, h_positions
diff --git a/mofchecker/checks/oms/__init__.py b/mofchecker/checks/oms/__init__.py
new file mode 100644
index 0000000..a9a841b
--- /dev/null
+++ b/mofchecker/checks/oms/__init__.py
@@ -0,0 +1,192 @@
+# -*- coding: utf-8 -*-
+"""Tooling for finding open metal sites"""
+from typing import List
+
+import numpy as np
+from pymatgen.analysis.local_env import LocalStructOrderParams
+
+from ...graph import _get_cn
+from ..check_base import AbstractIndexCheck
+from ..utils.get_indices import get_metal_indices
+from .definitions import OP_DEF
+from .errors import HighCoordinationNumber, LowCoordinationNumber, NoMetal
+
+
+class MOFOMS(AbstractIndexCheck):
+    """A 'checker' for finding open metal sites"""
+
+    def __init__(self, structure, structure_graph):
+        self.structure = structure
+        self.structure_graph = structure_graph
+        self._metal_indices = get_metal_indices(structure)
+        self._open_indices: set = set()
+        self._has_oms = None
+        self.metal_features = {}
+
+    @property
+    def description(self):
+        return "Check if there are any open metal sites in the structure."
+
+    def get_cn(self, index):
+        """Return the coordination number"""
+        return _get_cn(self.structure_graph, index)
+
+    @classmethod
+    def from_mofchecker(cls, mofchecker):
+        """Initialize a OMS check from a mofchecker instance"""
+        checker = cls(mofchecker.structure, mofchecker.graph)
+        checker.get_cn = mofchecker.get_cn
+        return checker
+
+    def get_metal_descriptors_for_site(self, site_index: int) -> dict:
+        """Computes the checks for one metal site"""
+        if len(self._metal_indices) == 0:
+            raise NoMetal
+        return self._get_metal_descriptors_for_site(site_index)
+
+    def _get_metal_descriptors(self):
+        descriptordict = {}
+        for site_index in self._metal_indices:
+            descriptordict[site_index] = self._get_metal_descriptors_for_site(
+                site_index
+            )
+
+        self.metal_features = descriptordict
+
+        return descriptordict
+
+    def get_metal_descriptors(self) -> dict:
+        """Return local structure order parameters for coordination number (CN),
+        element string and wheter site is open or not. Key is the site index.
+
+        Raises:
+            NoMetal: If no metal can be found in the structure
+
+        Returns:
+            dict: Key is the site index.
+        """
+        if len(self._metal_indices) == 0:
+            raise NoMetal
+        return self._get_metal_descriptors()
+
+    def _run_check(self):
+        indices = self.check_oms()
+        return len(indices) == 0, indices
+
+    def check_oms(self) -> List[int]:
+        """True if the structure contains open metal sites (OMS).
+        Also returns True in case of low coordination numbers (CN <=3)
+        which typically indicate open coordination for MOFs.
+        For high coordination numbers, no good order parameter for open
+        structures is available, and so we return `None` even though
+        this might change in a future release.
+
+        Raises:
+            NoMetal: Raised if the structure contains no metal
+
+        Returns:
+            [list]: OMS indices
+        """
+        oms_sites = []
+        if len(self._metal_indices) == 0:
+            raise NoMetal("This structure does not contain a metal")
+        for site_index in self._metal_indices:
+            if self.is_site_open(site_index):
+                oms_sites.append(site_index)
+        return oms_sites
+
+    @staticmethod
+    def _check_if_open(lsop, is_open, weights, threshold: float = 0.5):
+        if lsop is not None:
+            if is_open is None:
+                return False
+            lsop = np.array(lsop) * np.array(weights)
+            open_contributions = lsop[is_open].sum()
+            close_contributions = lsop.sum() - open_contributions
+            return (
+                open_contributions / (open_contributions + close_contributions)
+                > threshold
+            )
+        return None
+
+    def _get_metal_descriptors_for_site(self, site_index: int):
+        metal = str(self.structure[site_index].species)
+        try:
+            (
+                cn,  # pylint:disable=invalid-name
+                names,
+                lsop,
+                is_open,
+                weights,
+            ) = self._get_ops_for_site(site_index)
+            site_open = MOFOMS._check_if_open(lsop, is_open, weights)
+            if site_open:
+                self._open_indices.add(site_index)
+            descriptors = {
+                "metal": metal,
+                "lsop": dict(zip(names, lsop)),
+                "open": site_open,
+                "cn": cn,
+            }
+            print(descriptors)
+        except LowCoordinationNumber:
+            descriptors = {"metal": metal, "lsop": None, "open": True, "cn": None}
+        except HighCoordinationNumber:
+            descriptors = {"metal": metal, "lsop": None, "open": None, "cn": None}
+        return descriptors
+
+    def _get_ops_for_site(self, site_index):
+        cn = self.get_cn(site_index)  # pylint:disable=invalid-name
+        try:
+            names = OP_DEF[cn]["names"]
+            is_open = OP_DEF[cn]["open"]
+            weights = OP_DEF[cn]["weights"]
+            lsop = LocalStructOrderParams(names)
+            return (
+                cn,
+                names,
+                lsop.get_order_parameters(self.structure, site_index),
+                is_open,
+                weights,
+            )
+        except KeyError as exc:
+            # For a bit more fine grained error messages
+            if cn <= 3:  # pylint:disable=no-else-raise
+                raise LowCoordinationNumber(
+                    "Coordination number {} is low \
+                        and order parameters undefined".format(
+                        cn
+                    )
+                ) from exc
+            elif cn > 8:
+                raise HighCoordinationNumber(
+                    "Coordination number {} is high \
+                        and order parameters undefined".format(
+                        cn
+                    )
+                ) from exc
+
+            return cn, None, None, None, None
+
+    def is_site_open(self, site_index: int) -> bool:
+        """Check for a site if is open (based on the values of
+        some coordination geometry fingerprints)
+
+        Args:
+            site_index (int): Index of the site in the structure
+
+        Returns:
+            bool: True if site is open
+        """
+        if site_index not in self._open_indices:
+            try:
+                _, _, lsop, is_open, weights = self._get_ops_for_site(site_index)
+                site_open = MOFOMS._check_if_open(lsop, is_open, weights)
+                if site_open:
+                    self._open_indices.add(site_index)
+                return site_open
+            except LowCoordinationNumber:
+                return True
+            except HighCoordinationNumber:
+                return None
+        return True
diff --git a/mofchecker/checks/oms/definitions.py b/mofchecker/checks/oms/definitions.py
new file mode 100644
index 0000000..2e7b702
--- /dev/null
+++ b/mofchecker/checks/oms/definitions.py
@@ -0,0 +1,27 @@
+# -*- coding: utf-8 -*-
+"""Thresholds on the order parameters for OMS detection.
+Manually tuned and hence probably not super general"""
+# see Zimmermann, N. E. R.; Jain, A.
+# Local Structure Order Parameters and Site Fingerprints
+# for Quantification of Coordination Environment and Crystal Structure Similarity.
+# RSC Adv. 2020, 10 (10), 6063–6081. https://doi.org/10.1039/C9RA07755C.
+
+OP_DEF = {
+    4: {
+        "names": ["sq_plan", "sq", "see_saw_rect", "tet", "tri_pyr"],
+        "weights": [0.2, 0.1, 0.1, 0.5, 0.5],
+        "open": [0, 1, 2, 4],
+    },
+    5: {
+        "names": ["pent_plan", "sq_pyr", "tri_bipyr"],
+        "weights": [1, 0.5, 0.5],
+        "open": [0, 1],
+    },
+    6: {"names": ["pent_pyr", "oct"], "weights": [0.3, 0.7], "open": [0]},
+    7: {
+        "names": ["hex_pyr", "pent_bipyr"],
+        "weights": [0.7, 0.3],
+        "open": [0],
+    },
+    8: {"names": ["hex_bipyr"], "weights": [1], "open": None},
+}
diff --git a/mofchecker/checks/oms/errors.py b/mofchecker/checks/oms/errors.py
new file mode 100644
index 0000000..28f14ff
--- /dev/null
+++ b/mofchecker/checks/oms/errors.py
@@ -0,0 +1,16 @@
+# -*- coding: utf-8 -*-
+"""Custom error types"""
+from ...errors import NoMetal  # pylint: disable=unused-import
+
+
+class LowCoordinationNumber(KeyError):
+    """Error for low coordination number"""
+
+
+class HighCoordinationNumber(KeyError):
+    """Error for high coordination number"""
+
+
+class NoOpenDefined(KeyError):
+    """Error in case the open check is not defined
+    for this coordination number"""
diff --git a/mofchecker/checks/utils.py b/mofchecker/checks/utils/__init__.py
similarity index 100%
rename from mofchecker/checks/utils.py
rename to mofchecker/checks/utils/__init__.py
diff --git a/mofchecker/checks/utils/get_indices.py b/mofchecker/checks/utils/get_indices.py
new file mode 100644
index 0000000..177461d
--- /dev/null
+++ b/mofchecker/checks/utils/get_indices.py
@@ -0,0 +1,86 @@
+# -*- coding: utf-8 -*-
+"""Utility function for getting the indices for certain atoms in the structure"""
+import functools
+from typing import Union
+
+import pymatgen
+from pymatgen.core.structure import IStructure, Structure
+
+from ...definitions import METALS
+from ..data import _get_vdw_radius
+
+
+def _vdw_radius_neighbors(structure, site_index, tolerance: float = 1.5):
+    elem = str(structure[site_index].specie)
+    radius = _get_vdw_radius(elem)
+    return structure.get_neighbors(structure[site_index], tolerance * radius)
+
+
+def is_metal(site: pymatgen.core.Site) -> bool:
+    """according to conquest help:
+    transition metal, lanthanide, actinide,
+    or Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Po"""
+    if str(site.specie) in METALS:
+        return True
+    return False
+
+
+@functools.lru_cache(maxsize=2, typed=False)
+def _get_indices(immutable_structure: IStructure) -> dict:
+    return {
+        "c": _get_c_indices(immutable_structure),
+        "h": _get_h_indices(immutable_structure),
+        "n": _get_n_indices(immutable_structure),
+        "metal": _get_metal_indices(immutable_structure),
+    }
+
+
+def _get_c_indices(structure):
+    return [i for i, species in enumerate(structure.species) if str(species) == "C"]
+
+
+def _get_h_indices(structure):
+    return [i for i, species in enumerate(structure.species) if str(species) == "H"]
+
+
+def _get_n_indices(structure):
+    return [i for i, species in enumerate(structure.species) if str(species) == "N"]
+
+
+def _get_metal_indices(structure):
+    return [i for i, site in enumerate(structure) if is_metal(site)]
+
+
+def get_h_indices(structure):
+    """Get the indices of all H"""
+    return get_indices(structure)["h"]
+
+
+def get_c_indices(structure):
+    """Get the indices of all C"""
+    return get_indices(structure)["c"]
+
+
+def get_n_indices(structure):
+    """Get the indices of all N"""
+    return get_indices(structure)["n"]
+
+
+def get_metal_indices(structure):
+    """Get the indices of all metals"""
+    return get_indices(structure)["metal"]
+
+
+def get_indices(structure: Union[Structure, IStructure]) -> dict:
+    """Get all the relevant indices"""
+    if isinstance(structure, Structure):
+        structure = IStructure.from_sites(structure)
+    return _get_indices(structure)
+
+
+def _is_any_neighbor_metal(neighbors):
+    for neighbor in neighbors:
+        if is_metal(neighbor.site):
+            return True
+
+    return False
diff --git a/mofchecker/checks/zeopp.py b/mofchecker/checks/zeopp.py
index 880605c..20940ac 100644
--- a/mofchecker/checks/zeopp.py
+++ b/mofchecker/checks/zeopp.py
@@ -9,6 +9,7 @@
 import numpy as np
 from pymatgen.core import Structure
 
+from .check_base import AbstractCheck
 from .utils import is_tool
 
 ZEOPP_BASE_COMMAND = ["network", "-ha", "-res"]
@@ -99,3 +100,18 @@ def check_if_porous(structure: Structure, threshold: float = 2.4) -> Union[bool,
 
     warnings.warn(NO_ZEOPP_WARNING)
     return None
+
+
+class PorosityCheck(AbstractCheck):
+    """Use zeo++ to check if the structure is porous"""
+
+    def __init__(self, structure):
+        self.structure = structure
+        self.threshold = 2.4
+
+    @property
+    def description(self):
+        return f"Check if the pore limiting diameter is greater than {self.threshold}."
+
+    def _run_check(self):
+        return check_if_porous(self.structure)
diff --git a/mofchecker/cli.py b/mofchecker/cli.py
deleted file mode 100644
index 34fc510..0000000
--- a/mofchecker/cli.py
+++ /dev/null
@@ -1,80 +0,0 @@
-# -*- coding: utf-8 -*-
-"""Command line interface tool for MOFChecker"""
-import click
-
-from . import MOFChecker
-from .utils import print_dict
-
-
-@click.command("cli")
-@click.argument("structure", type=click.Path(exists=True))
-@click.option("-c", "--check-mof", is_flag=True, help="run all sanity checks")
-@click.option("-oms", "--has-oms", is_flag=True, help="check for open metal sites")
-@click.option(
-    "-hc",
-    "--has-carbon",
-    is_flag=True,
-    help="check if there is carbon in the structure",
-)
-@click.option(
-    "-ovc",
-    "--has-overvalent-c",
-    is_flag=True,
-    help="check if the structure has overcoordinated carbon",
-)
-@click.option(
-    "-ovn",
-    "--has-overvalent-n",
-    is_flag=True,
-    help="check if the structure has overcoordinated nitrogen",
-)
-@click.option(
-    "-clash",
-    "--has-clashing",
-    is_flag=True,
-    help="check if the structure has clashing atoms",
-)
-@click.option(
-    "-la",
-    "--has-lone-atom",
-    is_flag=True,
-    help="check if the structure has floating atoms",
-)
-def main(  # pylint:disable=too-many-arguments
-    structure,
-    check_mof,
-    has_oms,
-    has_carbon,
-    has_overvalent_c,
-    has_overvalent_n,
-    has_clashing,
-    has_lone_atom,
-):
-    """Click CLI"""
-    mofchecker = MOFChecker.from_cif(structure)
-
-    if check_mof:
-        mof_desc = mofchecker.get_mof_descriptors()
-        print_dict(mof_desc)
-    else:
-        if has_oms:
-            print(mofchecker.has_oms)
-
-        if has_carbon:
-            print(mofchecker.has_carbon)
-
-        if has_overvalent_c:
-            print(mofchecker.has_overvalent_c)
-
-        if has_overvalent_n:
-            print(mofchecker.has_overvalent_n)
-
-        if has_clashing:
-            print(mofchecker.has_atomic_overlaps)
-
-        if has_lone_atom:
-            print(mofchecker.has_lone_atom)
-
-
-if __name__ == "__main__":
-    main()  # pylint:disable=no-value-for-parameter
diff --git a/mofchecker/definitions.py b/mofchecker/definitions.py
index 2dc07f6..61dde44 100644
--- a/mofchecker/definitions.py
+++ b/mofchecker/definitions.py
@@ -2,239 +2,6 @@
 """Constants for the MOFChecker"""
 # pylint: disable=line-too-long, duplicate-code
 
-# see Zimmermann, N. E. R.; Jain, A.
-# Local Structure Order Parameters and Site Fingerprints
-# for Quantification of Coordination Environment and Crystal Structure Similarity.
-# RSC Adv. 2020, 10 (10), 6063–6081. https://doi.org/10.1039/C9RA07755C.
-
-OP_DEF = {
-    4: {
-        "names": ["sq_plan", "sq", "see_saw_rect", "tet", "tri_pyr"],
-        "weights": [0.2, 0.1, 0.1, 0.5, 0.5],
-        "open": [0, 1, 2, 4],
-    },
-    5: {
-        "names": ["pent_plan", "sq_pyr", "tri_bipyr"],
-        "weights": [1, 0.5, 0.5],
-        "open": [0, 1],
-    },
-    6: {"names": ["pent_pyr", "oct"], "weights": [0.3, 0.7], "open": [0]},
-    7: {
-        "names": ["hex_pyr", "pent_bipyr"],
-        "weights": [0.7, 0.3],
-        "open": [0],
-    },
-    8: {"names": ["hex_bipyr"], "weights": [1], "open": None},
-}
-
-COVALENT_RADII = {
-    # Covalent radii revisited -- DOI:10.1039/B801115J
-    "H": 0.31,
-    "He": 0.28,
-    "Li": 1.28,
-    "Be": 0.96,
-    "B": 0.84,
-    "C": 0.76,  # for sp3; sp2 = 0.73; sp = 0.69
-    "C_1": 0.69,
-    "C_2": 0.73,
-    "C_R": 0.73,
-    "C_3": 0.76,
-    "N": 0.71,
-    "O": 0.66,
-    "F": 0.57,
-    "Ne": 0.58,
-    "Na": 1.66,
-    "Mg": 1.41,
-    "Al": 1.21,
-    "Si": 1.11,
-    "P": 1.07,
-    "S": 1.05,
-    "Cl": 1.02,
-    "Ar": 1.06,
-    "K": 2.03,
-    "Ca": 1.76,
-    "Sc": 1.7,
-    "Ti": 1.6,
-    "V": 1.53,
-    "Cr": 1.39,
-    "Mn": 1.61,  # low spin = 1.39
-    "Fe": 1.52,  # low spin = 1.32
-    "Co": 1.5,  # low spin = 1.26
-    "Ni": 1.24,
-    "Cu": 1.32,
-    "Zn": 1.22,
-    "Ga": 1.22,
-    "Ge": 1.2,
-    "As": 1.19,
-    "Se": 1.2,
-    "Br": 1.2,
-    "Kr": 1.16,
-    "Rb": 2.2,
-    "Sr": 1.95,
-    "Y": 1.9,
-    "Zr": 1.5,  # 1.75  !! temporarily added to correct the UIO cluster bonding problem
-    "Nb": 1.64,
-    "Mo": 1.54,
-    "Tc": 1.47,
-    "Ru": 1.46,
-    "Rh": 1.42,
-    "Pd": 1.39,
-    "Ag": 1.45,
-    "Cd": 1.44,
-    "In": 1.42,
-    "Sn": 1.39,
-    "Sb": 1.39,
-    "Te": 1.38,
-    "I": 1.39,
-    "Xe": 1.4,
-    "Cs": 2.44,
-    "Ba": 2.15,
-    "La": 2.07,
-    "Ce": 2.04,
-    "Pr": 2.03,
-    "Nd": 2.01,
-    "Pm": 1.99,
-    "Sm": 1.98,
-    "Eu": 1.98,
-    "Gd": 1.96,
-    "Tb": 1.94,
-    "Dy": 1.92,
-    "Ho": 1.92,
-    "Er": 1.89,
-    "Tm": 1.9,
-    "Yb": 1.87,
-    "Lu": 1.87,
-    "Hf": 1.75,
-    "Ta": 1.7,
-    "W": 1.62,
-    "Re": 1.51,
-    "Os": 1.44,
-    "Ir": 1.41,
-    "Pt": 1.36,
-    "Au": 1.36,
-    "Hg": 1.32,
-    "Tl": 1.45,
-    "Pb": 1.46,
-    "Bi": 1.48,
-    "Po": 1.4,
-    "At": 1.5,
-    "Rn": 1.5,
-    "Fr": 2.6,
-    "Ra": 2.21,
-    "Ac": 2.15,
-    "Th": 2.06,
-    "Pa": 2.0,
-    "U": 1.96,
-    "Np": 1.9,
-    "Pu": 1.87,
-    "Am": 1.8,
-    "Cm": 1.69,
-}
-
-VDW_RADII = {
-    "H": 1.1,
-    "He": 1.4,
-    "Li": 1.81,
-    "Be": 1.53,
-    "B": 1.92,
-    "C": 1.7,
-    "N": 1.55,
-    "O": 1.52,
-    "F": 1.47,
-    "Ne": 1.54,
-    "Na": 2.27,
-    "Mg": 1.73,
-    "Al": 1.84,
-    "Si": 2.1,
-    "P": 1.8,
-    "S": 1.8,
-    "Cl": 1.75,
-    "Ar": 1.88,
-    "K": 2.75,
-    "Ca": 2.31,
-    "Sc": 2.16,
-    "Ti": 1.87,
-    "V": 1.79,
-    "Cr": 1.89,
-    "Mn": 1.97,
-    "Fe": 1.94,
-    "Co": 1.92,
-    "Ni": 1.84,
-    "Cu": 1.86,
-    "Zn": 2.1,
-    "Ga": 1.87,
-    "Ge": 2.11,
-    "As": 1.85,
-    "Se": 1.9,
-    "Br": 1.83,
-    "Kr": 2.02,
-    "Rb": 3.03,
-    "Sr": 2.49,
-    "Y": 2.19,
-    "Zr": 1.86,
-    "Nb": 2.07,
-    "Mo": 2.09,
-    "Tc": 2.09,
-    "Ru": 2.07,
-    "Rh": 1.95,
-    "Pd": 2.02,
-    "Ag": 2.03,
-    "Cd": 2.3,
-    "In": 1.93,
-    "Sn": 2.17,
-    "Sb": 2.06,
-    "Te": 2.06,
-    "I": 1.98,
-    "Xe": 2.16,
-    "Cs": 3.43,
-    "Ba": 2.68,
-    "La": 2.4,
-    "Ce": 2.35,
-    "Pr": 2.39,
-    "Nd": 2.29,
-    "Pm": 2.36,
-    "Sm": 2.29,
-    "Eu": 2.33,
-    "Gd": 2.37,
-    "Tb": 2.21,
-    "Dy": 2.29,
-    "Ho": 2.16,
-    "Er": 2.35,
-    "Tm": 2.27,
-    "Yb": 2.42,
-    "Lu": 2.21,
-    "Hf": 2.12,
-    "Ta": 2.17,
-    "W": 2.1,
-    "Re": 2.17,
-    "Os": 2.16,
-    "Ir": 2.02,
-    "Pt": 2.09,
-    "Au": 2.17,
-    "Hg": 2.09,
-    "Tl": 1.96,
-    "Pb": 2.02,
-    "Bi": 2.07,
-    "Po": 1.97,
-    "At": 2.02,
-    "Rn": 2.2,
-    "Fr": 3.48,
-    "Ra": 2.83,
-    "Ac": 2.6,
-    "Th": 2.37,
-    "Pa": 2.43,
-    "U": 2.4,
-    "Np": 2.21,
-    "Pu": 2.43,
-    "Am": 2.44,
-    "Cm": 2.45,
-    "Bk": 2.44,
-    "Cf": 2.45,
-    "Es": 2.45,
-    "Fm": 2.45,
-    "Md": 2.46,
-    "Lr": 2.46,
-}
 
 EXPECTED_CHECK_VALUES = {
     "has_oms": False,
diff --git a/mofchecker/errors.py b/mofchecker/errors.py
new file mode 100644
index 0000000..82588d4
--- /dev/null
+++ b/mofchecker/errors.py
@@ -0,0 +1,6 @@
+# -*- coding: utf-8 -*-
+"""Custom error types"""
+
+
+class NoMetal(KeyError):
+    """Error in case there is no metal in structure"""
diff --git a/mofchecker/graph/__init__.py b/mofchecker/graph/__init__.py
new file mode 100644
index 0000000..f4027ad
--- /dev/null
+++ b/mofchecker/graph/__init__.py
@@ -0,0 +1,354 @@
+# -*- coding: utf-8 -*-
+"""Helper functions for the graph hash calculation"""
+import os
+from collections import defaultdict
+from typing import List, Tuple
+
+import networkx as nx
+import numpy as np
+import yaml
+from pymatgen.analysis.graphs import MoleculeGraph, StructureGraph
+from pymatgen.analysis.local_env import (
+    BrunnerNN_relative,
+    CrystalNN,
+    CutOffDictNN,
+    EconNN,
+    JmolNN,
+    MinimumDistanceNN,
+    VoronoiNN,
+)
+from pymatgen.core import Molecule, Structure
+
+THIS_DIR = os.path.dirname(os.path.realpath(__file__))
+
+with open(os.path.join(THIS_DIR, "atom_typing_radii.yml"), "r") as handle:
+    ATOM_TYPING_CUTOFFS = yaml.load(handle)
+
+
+with open(os.path.join(THIS_DIR, "li_radii.yml"), "r") as handle:
+    LI_TYPING_CUTOFFS = yaml.load(handle)
+
+VESTA_NN = CutOffDictNN.from_preset("vesta_2019")
+ATR_NN = CutOffDictNN(cut_off_dict=ATOM_TYPING_CUTOFFS)
+LI_NN = CutOffDictNN(cut_off_dict=LI_TYPING_CUTOFFS)
+
+
+def construct_clean_graph(
+    structure: Structure, structure_graph: StructureGraph
+) -> nx.Graph:
+    """Creates a networkx graph with atom numbers as node labels"""
+    edges = {(u, v) for u, v, d in structure_graph.graph.edges(keys=False, data=True)}
+    graph = nx.Graph()
+    graph.add_edges_from(edges)
+    graph_descriptors = get_cycle_descriptors(graph)
+    sg_centrality = nx.subgraph_centrality(graph)
+    for node in graph.nodes:
+
+        graph.nodes[node]["specie"] = str(structure[node].specie)
+        graph.nodes[node]["specie-cn"] = (
+            str(structure[node].specie)
+            + "-"
+            + str(structure_graph.get_coordination_of_site(node))
+        )
+        graph.nodes[node]["species-cycle"] = get_node_string(
+            node, structure_graph, graph_descriptors["memberships"]
+        )
+        graph.nodes[node]["memership-hash"] = get_node_string(
+            node,
+            structure_graph,
+            graph_descriptors["memberships"],
+            membership_only=True,
+        )
+        graph.nodes[node]["species-sg-central"] = str(structure[node].specie) + str(
+            sg_centrality[node]
+        )
+    return graph
+
+
+def _get_cn(structure_graph, site_index):
+    return len(structure_graph.get_connected_sites(site_index))
+
+
+def get_local_env_method(method):
+    method = method.lower()
+
+    if method.lower() == "crystalnn":
+        # see eq. 15 and 16 in https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.0c02996
+        # for the x_diff_weight parameter. in the paper it is called δen and it is set to 3
+        # we found better results by lowering this weight
+        return CrystalNN(porous_adjustment=True, x_diff_weight=1.5, search_cutoff=4.5)
+    elif method.lower() == "econnn":
+        return EconNN()
+    elif method.lower() == "brunnernn":
+        return BrunnerNN_relative()
+    elif method.lower() == "minimumdistance":
+        return MinimumDistanceNN()
+    elif method.lower() == "vesta":
+        return VESTA_NN
+    elif method.lower() == "voronoinn":
+        return VoronoiNN()
+    elif method.lower() == "atr":
+        return ATR_NN
+    elif method.lower() == "li":
+        return LI_NN
+    else:
+        return JmolNN()
+
+
+def _is_in_cell(frac_coords):
+    return all(frac_coords <= 1)
+
+
+def _is_any_atom_in_cell(frac_coords):
+    for row in frac_coords:
+        if _is_in_cell(row):
+            return True
+    return False
+
+
+def get_structure_graph(structure, method: str = "vesta"):
+    return StructureGraph.with_local_env_strategy(
+        structure, get_local_env_method(method)
+    )
+
+
+def _select_parts_in_cell(
+    molecules: List[Molecule],
+    graphs: List[MoleculeGraph],
+    indices: List[List[int]],
+    indices_here: List[List[int]],
+    centers: List[np.ndarray],
+    fractional_coordinates: np.ndarray,
+    coordinates: np.ndarray,
+) -> Tuple[List[Molecule], List[MoleculeGraph], List[List[int]]]:
+    valid_indices = defaultdict(list)
+    for i, ind in enumerate(indices_here):
+        # change this check to having an atom in the cell
+        frac_coords = fractional_coordinates[ind]
+
+        if _is_any_atom_in_cell(frac_coords):
+            sorted_idx = sorted(indices[i])
+            valid_indices[str(sorted_idx)].append(i)
+
+    molecules_ = []
+    selected_indices = []
+    graphs_ = []
+    centers_ = []
+    coordinates_ = []
+
+    for _, v in valid_indices.items():
+        for index in v:
+            selected_indices.append(indices[index])
+            molecules_.append(molecules[index])
+            graphs_.append(graphs[index])
+            centers_.append(centers[index])
+            coordinates_.append(coordinates[index])
+
+    return molecules_, graphs_, selected_indices, centers_, coordinates_
+
+
+def get_subgraphs_as_molecules(
+    structure_graph: StructureGraph,
+    use_weights: bool = False,
+    return_unique: bool = True,
+    disable_boundary_crossing_check: bool = False,
+    filter_in_cell: bool = True,
+) -> Tuple[List[Molecule], List[MoleculeGraph], List[List[int]], List[np.ndarray]]:
+    """Copied from
+    http://pymatgen.org/_modules/pymatgen/analysis/graphs.html#StructureGraph.get_subgraphs_as_molecules
+    and removed the duplicate check
+    Args:
+        structure_graph ( pymatgen.analysis.graphs.StructureGraph): Structuregraph
+        use_weights (bool): If True, use weights for the edge matching
+        return_unique (bool): If true, it only returns the unique molecules.
+            If False, it will return all molecules that are completely included in the unit cell
+            and fragments of the ones that are only partly in the cell
+        filter_in_cell (bool): If True, it will only return molecules that have at least one atom
+            in the cell
+    Returns:
+        Tuple[List[Molecule], List[MoleculeGraph], List[List[int]], List[np.ndarray]]
+    """
+    # creating a supercell is an easy way to extract
+    # molecules (and not, e.g., layers of a 2D crystal)
+    # without adding extra logic
+    supercell_sg = structure_graph * (3, 3, 3)
+
+    # make undirected to find connected subgraphs
+    supercell_sg.graph = nx.Graph(supercell_sg.graph)
+
+    # find subgraphs
+    all_subgraphs = [
+        supercell_sg.graph.subgraph(c).copy()
+        for c in nx.connected_components(supercell_sg.graph)
+    ]
+
+    # discount subgraphs that lie across *supercell* boundaries
+    # these will subgraphs representing crystals
+    molecule_subgraphs = []
+
+    for subgraph in all_subgraphs:
+        if disable_boundary_crossing_check:
+            molecule_subgraphs.append(nx.MultiDiGraph(subgraph))
+        else:
+            intersects_boundary = any(
+                [d["to_jimage"] != (0, 0, 0) for u, v, d in subgraph.edges(data=True)]
+            )
+            if not intersects_boundary:
+                molecule_subgraphs.append(nx.MultiDiGraph(subgraph))
+
+    # add specie names to graph to be able to test for isomorphism
+    for subgraph in molecule_subgraphs:
+        for node in subgraph:
+            subgraph.add_node(node, specie=str(supercell_sg.structure[node].specie))
+
+    unique_subgraphs = []
+
+    def node_match(n1, n2):
+        return n1["specie"] == n2["specie"]
+
+    def edge_match(e1, e2):
+        if use_weights:
+            return e1["weight"] == e2["weight"]
+        else:
+            return True
+
+    if return_unique:
+        for subgraph in molecule_subgraphs:
+            already_present = [
+                nx.is_isomorphic(
+                    subgraph, g, node_match=node_match, edge_match=edge_match
+                )
+                for g in unique_subgraphs
+            ]
+
+            if not any(already_present):
+                unique_subgraphs.append(subgraph)
+
+    def make_mols(molecule_subgraphs=molecule_subgraphs, center=False):
+        molecules = []
+        indices = []
+        indices_here = []
+        mol_centers = []
+        coordinates = []
+        for subgraph in molecule_subgraphs:
+            coords = [supercell_sg.structure[n].coords for n in subgraph.nodes()]
+            species = [supercell_sg.structure[n].specie for n in subgraph.nodes()]
+            # binding = [
+            #     supercell_sg.structure[n].properties["binding"]
+            #     for n in subgraph.nodes()
+            # ]
+            idx = [subgraph.nodes[n]["idx"] for n in subgraph.nodes()]
+            idx_here = [n for n in subgraph.nodes()]
+            molecule = Molecule(
+                species, coords
+            )  #  site_properties={"binding": binding}
+            mol_centers.append(
+                np.mean(supercell_sg.structure.cart_coords[idx_here], axis=0)
+            )
+            # shift so origin is at center of mass
+            if center:
+                molecule = molecule.get_centered_molecule()
+            indices.append(idx)
+            molecules.append(molecule)
+            indices_here.append(idx_here)
+            coordinates.append(coords)
+        return molecules, indices, indices_here, mol_centers, coordinates
+
+    def relabel_graph(multigraph):
+        mapping = dict(zip(multigraph, range(0, len(multigraph.nodes()))))
+        return nx.readwrite.json_graph.adjacency_data(
+            nx.relabel_nodes(multigraph, mapping)
+        )
+
+    if return_unique:
+        mol, idx, indices_here, centers, coordinates = make_mols(
+            unique_subgraphs, center=True
+        )
+        return_subgraphs = unique_subgraphs
+        return (
+            mol,
+            [
+                MoleculeGraph(mol, relabel_graph(graph))
+                for mol, graph in zip(mol, return_subgraphs)
+            ],
+            idx,
+            centers,
+            coordinates,
+        )
+
+    mol, idx, indices_here, centers, coordinates = make_mols(molecule_subgraphs)
+
+    return_subgraphs = [
+        MoleculeGraph(mol, relabel_graph(graph))
+        for mol, graph in zip(mol, molecule_subgraphs)
+    ]
+
+    if filter_in_cell:
+        mol, return_subgraphs, idx, centers, coordinates = _select_parts_in_cell(
+            mol,
+            return_subgraphs,
+            idx,
+            indices_here,
+            centers,
+            structure_graph.structure.lattice.get_fractional_coords(
+                supercell_sg.structure.cart_coords
+            ),
+            coordinates,
+        )
+
+    return mol, return_subgraphs, idx, centers, coordinates
+
+
+def get_cycle_lengths(graph):
+    cycles = nx.minimum_cycle_basis(graph)
+    lengths = count_sublist_lengths(cycles)
+    return lengths
+
+
+def count_sublist_lengths(list_of_lists):
+    lengths = []
+
+    for l in list_of_lists:
+        lengths.append(len(l))
+
+    return lengths
+
+
+def get_cycle_memberships(graph, cycles, lengths):
+
+    unique_lengths = np.unique(lengths)
+
+    cycle_memberships = {}
+
+    for node in graph.nodes():
+
+        length_hash = dict(zip(unique_lengths, [0] * len(unique_lengths)))
+        for cycle, length in zip(cycles, lengths):
+            if node in cycle:
+                length_hash[length] += 1
+
+        cycle_memberships[node] = length_hash
+
+    return cycle_memberships
+
+
+def get_cycle_descriptors(graph):
+    cycles = nx.minimum_cycle_basis(graph)
+
+    lengths = count_sublist_lengths(cycles)
+
+    memberships = get_cycle_memberships(graph, cycles, lengths)
+
+    return {
+        "cycles": cycles,
+        "lengths": lengths,
+        "memberships": memberships,
+    }
+
+
+def get_node_string(index, structure_graph, memberships, membership_only: bool = False):
+    membership_hash = "".join([str(e) for e in memberships[index].values()])
+    atom_label = str(structure_graph.structure[index].specie)
+    if membership_only:
+        return membership_hash
+    return atom_label + membership_hash
diff --git a/mofchecker/graph/atom_typing_radii.yml b/mofchecker/graph/atom_typing_radii.yml
new file mode 100644
index 0000000..18d80a4
--- /dev/null
+++ b/mofchecker/graph/atom_typing_radii.yml
@@ -0,0 +1,12012 @@
+? !!python/tuple
+- Ag
+- Ag
+: 3.12
+? !!python/tuple
+- Ag
+- Au
+: 3.24
+? !!python/tuple
+- Ag
+- Ba
+: 3.08
+? !!python/tuple
+- Ag
+- Bi
+: 3.2800000000000002
+? !!python/tuple
+- Ag
+- Cd
+: 3.12
+? !!python/tuple
+- Ag
+- Ce
+: 3.54
+? !!python/tuple
+- Ag
+- Cs
+: 3.41
+? !!python/tuple
+- Ag
+- Dy
+: 3.35
+? !!python/tuple
+- Ag
+- Er
+: 3.3600000000000003
+? !!python/tuple
+- Ag
+- Eu
+: 3.39
+? !!python/tuple
+- Ag
+- Gd
+: 3.35
+? !!python/tuple
+- Ag
+- Hf
+: 3.29
+? !!python/tuple
+- Ag
+- Hg
+: 3.44
+? !!python/tuple
+- Ag
+- Ho
+: 3.19
+? !!python/tuple
+- Ag
+- I
+: 3.14
+? !!python/tuple
+- Ag
+- In
+: 3.09
+? !!python/tuple
+- Ag
+- Ir
+: 3.06
+? !!python/tuple
+- Ag
+- La
+: 3.4699999999999998
+? !!python/tuple
+- Ag
+- Lu
+: 3.42
+? !!python/tuple
+- Ag
+- Nd
+: 3.48
+? !!python/tuple
+- Ag
+- Np
+: 3.29
+? !!python/tuple
+- Ag
+- Pb
+: 3.2800000000000002
+? !!python/tuple
+- Ag
+- Pr
+: 3.31
+? !!python/tuple
+- Ag
+- Pt
+: 3.2199999999999998
+? !!python/tuple
+- Ag
+- Pu
+: 3.27
+? !!python/tuple
+- Ag
+- Re
+: 2.85
+? !!python/tuple
+- Ag
+- Sb
+: 3.2
+? !!python/tuple
+- Ag
+- Sm
+: 3.45
+? !!python/tuple
+- Ag
+- Sn
+: 3.2
+? !!python/tuple
+- Ag
+- Tb
+: 3.38
+? !!python/tuple
+- Ag
+- Te
+: 3.21
+? !!python/tuple
+- Ag
+- Th
+: 3.5300000000000002
+? !!python/tuple
+- Ag
+- Tm
+: 3.4000000000000004
+? !!python/tuple
+- Ag
+- U
+: 3.3200000000000003
+? !!python/tuple
+- Ag
+- W
+: 2.89
+? !!python/tuple
+- Ag
+- Yb
+: 3.3600000000000003
+? !!python/tuple
+- Al
+- Ag
+: 3.09
+? !!python/tuple
+- Al
+- Al
+: 3.06
+? !!python/tuple
+- Al
+- As
+: 2.92
+? !!python/tuple
+- Al
+- Au
+: 3.21
+? !!python/tuple
+- Al
+- Ba
+: 3.05
+? !!python/tuple
+- Al
+- Bi
+: 3.25
+? !!python/tuple
+- Al
+- Br
+: 2.92
+? !!python/tuple
+- Al
+- Ca
+: 2.7
+? !!python/tuple
+- Al
+- Cd
+: 3.09
+? !!python/tuple
+- Al
+- Ce
+: 3.51
+? !!python/tuple
+- Al
+- Cl
+: 2.7
+? !!python/tuple
+- Al
+- Co
+: 2.84
+? !!python/tuple
+- Al
+- Cr
+: 3.06
+? !!python/tuple
+- Al
+- Cs
+: 3.38
+? !!python/tuple
+- Al
+- Cu
+: 2.84
+? !!python/tuple
+- Al
+- Dy
+: 3.3200000000000003
+? !!python/tuple
+- Al
+- Er
+: 3.33
+? !!python/tuple
+- Al
+- Eu
+: 3.3600000000000003
+? !!python/tuple
+- Al
+- Fe
+: 2.96
+? !!python/tuple
+- Al
+- Ga
+: 2.9299999999999997
+? !!python/tuple
+- Al
+- Gd
+: 3.3200000000000003
+? !!python/tuple
+- Al
+- Ge
+: 2.88
+? !!python/tuple
+- Al
+- Hf
+: 3.26
+? !!python/tuple
+- Al
+- Hg
+: 3.41
+? !!python/tuple
+- Al
+- Ho
+: 3.16
+? !!python/tuple
+- Al
+- I
+: 3.1100000000000003
+? !!python/tuple
+- Al
+- In
+: 3.06
+? !!python/tuple
+- Al
+- Ir
+: 3.0300000000000002
+? !!python/tuple
+- Al
+- K
+: 2.9699999999999998
+? !!python/tuple
+- Al
+- La
+: 3.44
+? !!python/tuple
+- Al
+- Lu
+: 3.39
+? !!python/tuple
+- Al
+- Mn
+: 3.06
+? !!python/tuple
+- Al
+- Mo
+: 3.1
+? !!python/tuple
+- Al
+- Nb
+: 3.19
+? !!python/tuple
+- Al
+- Nd
+: 3.45
+? !!python/tuple
+- Al
+- Ni
+: 2.8600000000000003
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+- Al
+- Np
+: 3.26
+? !!python/tuple
+- Al
+- P
+: 2.81
+? !!python/tuple
+- Al
+- Pb
+: 3.25
+? !!python/tuple
+- Al
+- Pd
+: 3.21
+? !!python/tuple
+- Al
+- Pr
+: 3.2800000000000002
+? !!python/tuple
+- Al
+- Pt
+: 3.19
+? !!python/tuple
+- Al
+- Pu
+: 3.24
+? !!python/tuple
+- Al
+- Rb
+: 3.1799999999999997
+? !!python/tuple
+- Al
+- Re
+: 2.8200000000000003
+? !!python/tuple
+- Al
+- Rh
+: 3.16
+? !!python/tuple
+- Al
+- Ru
+: 3.1100000000000003
+? !!python/tuple
+- Al
+- S
+: 2.73
+? !!python/tuple
+- Al
+- Sb
+: 3.17
+? !!python/tuple
+- Al
+- Sc
+: 3.1500000000000004
+? !!python/tuple
+- Al
+- Se
+: 2.9299999999999997
+? !!python/tuple
+- Al
+- Si
+: 2.91
+? !!python/tuple
+- Al
+- Sm
+: 3.42
+? !!python/tuple
+- Al
+- Sn
+: 3.17
+? !!python/tuple
+- Al
+- Sr
+: 2.83
+? !!python/tuple
+- Al
+- Tb
+: 3.35
+? !!python/tuple
+- Al
+- Te
+: 3.1799999999999997
+? !!python/tuple
+- Al
+- Th
+: 3.5
+? !!python/tuple
+- Al
+- Ti
+: 3.1799999999999997
+? !!python/tuple
+- Al
+- Tm
+: 3.37
+? !!python/tuple
+- Al
+- U
+: 3.29
+? !!python/tuple
+- Al
+- V
+: 3.04
+? !!python/tuple
+- Al
+- W
+: 2.8600000000000003
+? !!python/tuple
+- Al
+- Y
+: 3.37
+? !!python/tuple
+- Al
+- Yb
+: 3.33
+? !!python/tuple
+- Al
+- Zn
+: 2.94
+? !!python/tuple
+- Al
+- Zr
+: 3.26
+? !!python/tuple
+- As
+- Ag
+: 2.95
+? !!python/tuple
+- As
+- As
+: 2.78
+? !!python/tuple
+- As
+- Au
+: 3.07
+? !!python/tuple
+- As
+- Ba
+: 2.91
+? !!python/tuple
+- As
+- Bi
+: 3.11
+? !!python/tuple
+- As
+- Br
+: 2.78
+? !!python/tuple
+- As
+- Cd
+: 2.95
+? !!python/tuple
+- As
+- Ce
+: 3.37
+? !!python/tuple
+- As
+- Cs
+: 3.24
+? !!python/tuple
+- As
+- Dy
+: 3.1799999999999997
+? !!python/tuple
+- As
+- Er
+: 3.19
+? !!python/tuple
+- As
+- Eu
+: 3.2199999999999998
+? !!python/tuple
+- As
+- Gd
+: 3.1799999999999997
+? !!python/tuple
+- As
+- Hf
+: 3.12
+? !!python/tuple
+- As
+- Hg
+: 3.2699999999999996
+? !!python/tuple
+- As
+- Ho
+: 3.0199999999999996
+? !!python/tuple
+- As
+- I
+: 2.9699999999999998
+? !!python/tuple
+- As
+- In
+: 2.92
+? !!python/tuple
+- As
+- Ir
+: 2.8899999999999997
+? !!python/tuple
+- As
+- La
+: 3.3
+? !!python/tuple
+- As
+- Lu
+: 3.25
+? !!python/tuple
+- As
+- Mo
+: 2.96
+? !!python/tuple
+- As
+- Nb
+: 3.05
+? !!python/tuple
+- As
+- Nd
+: 3.3099999999999996
+? !!python/tuple
+- As
+- Np
+: 3.12
+? !!python/tuple
+- As
+- Pb
+: 3.11
+? !!python/tuple
+- As
+- Pd
+: 3.07
+? !!python/tuple
+- As
+- Pr
+: 3.1399999999999997
+? !!python/tuple
+- As
+- Pt
+: 3.05
+? !!python/tuple
+- As
+- Pu
+: 3.0999999999999996
+? !!python/tuple
+- As
+- Rb
+: 3.04
+? !!python/tuple
+- As
+- Re
+: 2.6799999999999997
+? !!python/tuple
+- As
+- Rh
+: 3.0199999999999996
+? !!python/tuple
+- As
+- Ru
+: 2.9699999999999998
+? !!python/tuple
+- As
+- Sb
+: 3.03
+? !!python/tuple
+- As
+- Se
+: 2.79
+? !!python/tuple
+- As
+- Sm
+: 3.28
+? !!python/tuple
+- As
+- Sn
+: 3.03
+? !!python/tuple
+- As
+- Sr
+: 2.69
+? !!python/tuple
+- As
+- Tb
+: 3.21
+? !!python/tuple
+- As
+- Te
+: 3.04
+? !!python/tuple
+- As
+- Th
+: 3.36
+? !!python/tuple
+- As
+- Tm
+: 3.23
+? !!python/tuple
+- As
+- U
+: 3.15
+? !!python/tuple
+- As
+- W
+: 2.7199999999999998
+? !!python/tuple
+- As
+- Y
+: 3.23
+? !!python/tuple
+- As
+- Yb
+: 3.19
+? !!python/tuple
+- As
+- Zr
+: 3.12
+? !!python/tuple
+- Au
+- Au
+: 3.36
+? !!python/tuple
+- Au
+- Bi
+: 3.4
+? !!python/tuple
+- Au
+- Hg
+: 3.5599999999999996
+? !!python/tuple
+- Au
+- Np
+: 3.41
+? !!python/tuple
+- Au
+- Pb
+: 3.4
+? !!python/tuple
+- Au
+- Pu
+: 3.3899999999999997
+? !!python/tuple
+- Au
+- Th
+: 3.65
+? !!python/tuple
+- Au
+- U
+: 3.44
+? !!python/tuple
+- B
+- Ag
+: 2.5700000000000003
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+- B
+- Al
+: 2.54
+? !!python/tuple
+- B
+- As
+: 2.4
+? !!python/tuple
+- B
+- Au
+: 2.69
+? !!python/tuple
+- B
+- B
+: 2.02
+? !!python/tuple
+- B
+- Ba
+: 2.5300000000000002
+? !!python/tuple
+- B
+- Bi
+: 2.73
+? !!python/tuple
+- B
+- Br
+: 2.4
+? !!python/tuple
+- B
+- C
+: 1.8900000000000001
+? !!python/tuple
+- B
+- Ca
+: 2.1799999999999997
+? !!python/tuple
+- B
+- Cd
+: 2.5700000000000003
+? !!python/tuple
+- B
+- Ce
+: 2.99
+? !!python/tuple
+- B
+- Cl
+: 2.1799999999999997
+? !!python/tuple
+- B
+- Co
+: 2.3200000000000003
+? !!python/tuple
+- B
+- Cr
+: 2.54
+? !!python/tuple
+- B
+- Cs
+: 2.8600000000000003
+? !!python/tuple
+- B
+- Cu
+: 2.3200000000000003
+? !!python/tuple
+- B
+- Dy
+: 2.8
+? !!python/tuple
+- B
+- Er
+: 2.81
+? !!python/tuple
+- B
+- Eu
+: 2.84
+? !!python/tuple
+- B
+- F
+: 1.83
+? !!python/tuple
+- B
+- Fe
+: 2.44
+? !!python/tuple
+- B
+- Ga
+: 2.41
+? !!python/tuple
+- B
+- Gd
+: 2.8
+? !!python/tuple
+- B
+- Ge
+: 2.3600000000000003
+? !!python/tuple
+- B
+- Hf
+: 2.74
+? !!python/tuple
+- B
+- Hg
+: 2.8899999999999997
+? !!python/tuple
+- B
+- Ho
+: 2.6399999999999997
+? !!python/tuple
+- B
+- I
+: 2.59
+? !!python/tuple
+- B
+- In
+: 2.54
+? !!python/tuple
+- B
+- Ir
+: 2.51
+? !!python/tuple
+- B
+- K
+: 2.45
+? !!python/tuple
+- B
+- La
+: 2.92
+? !!python/tuple
+- B
+- Lu
+: 2.87
+? !!python/tuple
+- B
+- Mg
+: 2.29
+? !!python/tuple
+- B
+- Mn
+: 2.54
+? !!python/tuple
+- B
+- Mo
+: 2.58
+? !!python/tuple
+- B
+- N
+: 1.87
+? !!python/tuple
+- B
+- Na
+: 2.16
+? !!python/tuple
+- B
+- Nb
+: 2.67
+? !!python/tuple
+- B
+- Nd
+: 2.9299999999999997
+? !!python/tuple
+- B
+- Ni
+: 2.34
+? !!python/tuple
+- B
+- Np
+: 2.74
+? !!python/tuple
+- B
+- O
+: 1.9
+? !!python/tuple
+- B
+- P
+: 2.29
+? !!python/tuple
+- B
+- Pb
+: 2.73
+? !!python/tuple
+- B
+- Pd
+: 2.69
+? !!python/tuple
+- B
+- Pr
+: 2.76
+? !!python/tuple
+- B
+- Pt
+: 2.67
+? !!python/tuple
+- B
+- Pu
+: 2.7199999999999998
+? !!python/tuple
+- B
+- Rb
+: 2.66
+? !!python/tuple
+- B
+- Re
+: 2.3
+? !!python/tuple
+- B
+- Rh
+: 2.6399999999999997
+? !!python/tuple
+- B
+- Ru
+: 2.59
+? !!python/tuple
+- B
+- S
+: 2.21
+? !!python/tuple
+- B
+- Sb
+: 2.65
+? !!python/tuple
+- B
+- Sc
+: 2.63
+? !!python/tuple
+- B
+- Se
+: 2.41
+? !!python/tuple
+- B
+- Si
+: 2.3899999999999997
+? !!python/tuple
+- B
+- Sm
+: 2.9
+? !!python/tuple
+- B
+- Sn
+: 2.65
+? !!python/tuple
+- B
+- Sr
+: 2.31
+? !!python/tuple
+- B
+- Tb
+: 2.83
+? !!python/tuple
+- B
+- Te
+: 2.66
+? !!python/tuple
+- B
+- Th
+: 2.98
+? !!python/tuple
+- B
+- Ti
+: 2.66
+? !!python/tuple
+- B
+- Tm
+: 2.85
+? !!python/tuple
+- B
+- U
+: 2.77
+? !!python/tuple
+- B
+- V
+: 2.52
+? !!python/tuple
+- B
+- W
+: 2.34
+? !!python/tuple
+- B
+- Y
+: 2.85
+? !!python/tuple
+- B
+- Yb
+: 2.81
+? !!python/tuple
+- B
+- Zn
+: 2.42
+? !!python/tuple
+- B
+- Zr
+: 2.74
+? !!python/tuple
+- Ba
+- Au
+: 3.2
+? !!python/tuple
+- Ba
+- Ba
+: 3.04
+? !!python/tuple
+- Ba
+- Bi
+: 3.24
+? !!python/tuple
+- Ba
+- Ce
+: 3.5
+? !!python/tuple
+- Ba
+- Dy
+: 3.31
+? !!python/tuple
+- Ba
+- Er
+: 3.3200000000000003
+? !!python/tuple
+- Ba
+- Eu
+: 3.35
+? !!python/tuple
+- Ba
+- Gd
+: 3.31
+? !!python/tuple
+- Ba
+- Hf
+: 3.25
+? !!python/tuple
+- Ba
+- Hg
+: 3.4
+? !!python/tuple
+- Ba
+- Ho
+: 3.15
+? !!python/tuple
+- Ba
+- Ir
+: 3.02
+? !!python/tuple
+- Ba
+- La
+: 3.4299999999999997
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+- Ba
+- Lu
+: 3.38
+? !!python/tuple
+- Ba
+- Nd
+: 3.44
+? !!python/tuple
+- Ba
+- Np
+: 3.25
+? !!python/tuple
+- Ba
+- Pb
+: 3.24
+? !!python/tuple
+- Ba
+- Pr
+: 3.27
+? !!python/tuple
+- Ba
+- Pt
+: 3.1799999999999997
+? !!python/tuple
+- Ba
+- Pu
+: 3.23
+? !!python/tuple
+- Ba
+- Re
+: 2.81
+? !!python/tuple
+- Ba
+- Sm
+: 3.41
+? !!python/tuple
+- Ba
+- Tb
+: 3.34
+? !!python/tuple
+- Ba
+- Th
+: 3.49
+? !!python/tuple
+- Ba
+- Tm
+: 3.3600000000000003
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+- Ba
+- U
+: 3.2800000000000002
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+- Ba
+- W
+: 2.85
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+- Ba
+- Yb
+: 3.3200000000000003
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+- Be
+- Ag
+: 2.09
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+- Be
+- Al
+: 2.06
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+- Be
+- As
+: 1.92
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+- Be
+- Au
+: 2.21
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+- Be
+- B
+: 1.54
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+- Be
+- Ba
+: 2.05
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+- Be
+- Be
+: 1.06
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+- Be
+- Bi
+: 2.25
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+- Be
+- Br
+: 1.92
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+- Be
+- C
+: 1.4100000000000001
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+- Be
+- Ca
+: 1.7
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+- Be
+- Cd
+: 2.09
+? !!python/tuple
+- Be
+- Ce
+: 2.51
+? !!python/tuple
+- Be
+- Cl
+: 1.7
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+- Be
+- Co
+: 1.84
+? !!python/tuple
+- Be
+- Cr
+: 2.06
+? !!python/tuple
+- Be
+- Cs
+: 2.38
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+- Be
+- Cu
+: 1.84
+? !!python/tuple
+- Be
+- Dy
+: 2.3200000000000003
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+- Be
+- Er
+: 2.33
+? !!python/tuple
+- Be
+- Eu
+: 2.3600000000000003
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+- Be
+- F
+: 1.35
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+- Be
+- Fe
+: 1.96
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+- Be
+- Ga
+: 1.93
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+- Be
+- Gd
+: 2.3200000000000003
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+- Be
+- Ge
+: 1.8800000000000001
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+- Be
+- Hf
+: 2.26
+? !!python/tuple
+- Be
+- Hg
+: 2.41
+? !!python/tuple
+- Be
+- Ho
+: 2.16
+? !!python/tuple
+- Be
+- I
+: 2.1100000000000003
+? !!python/tuple
+- Be
+- In
+: 2.06
+? !!python/tuple
+- Be
+- Ir
+: 2.0300000000000002
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+- Be
+- K
+: 1.97
+? !!python/tuple
+- Be
+- La
+: 2.44
+? !!python/tuple
+- Be
+- Lu
+: 2.39
+? !!python/tuple
+- Be
+- Mg
+: 1.81
+? !!python/tuple
+- Be
+- Mn
+: 2.06
+? !!python/tuple
+- Be
+- Mo
+: 2.1
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+- Be
+- N
+: 1.3900000000000001
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+- Be
+- Na
+: 1.68
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+- Be
+- Nb
+: 2.19
+? !!python/tuple
+- Be
+- Nd
+: 2.45
+? !!python/tuple
+- Be
+- Ni
+: 1.86
+? !!python/tuple
+- Be
+- Np
+: 2.26
+? !!python/tuple
+- Be
+- O
+: 1.42
+? !!python/tuple
+- Be
+- P
+: 1.81
+? !!python/tuple
+- Be
+- Pb
+: 2.25
+? !!python/tuple
+- Be
+- Pd
+: 2.21
+? !!python/tuple
+- Be
+- Pr
+: 2.2800000000000002
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+- Be
+- Pt
+: 2.19
+? !!python/tuple
+- Be
+- Pu
+: 2.24
+? !!python/tuple
+- Be
+- Rb
+: 2.1799999999999997
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+- Be
+- Re
+: 1.82
+? !!python/tuple
+- Be
+- Rh
+: 2.16
+? !!python/tuple
+- Be
+- Ru
+: 2.1100000000000003
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+- Be
+- S
+: 1.73
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+- Be
+- Sb
+: 2.17
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+- Be
+- Sc
+: 2.1500000000000004
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+- Be
+- Se
+: 1.93
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+- Be
+- Si
+: 1.91
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+- Be
+- Sm
+: 2.42
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+- Be
+- Sn
+: 2.17
+? !!python/tuple
+- Be
+- Sr
+: 1.83
+? !!python/tuple
+- Be
+- Tb
+: 2.35
+? !!python/tuple
+- Be
+- Te
+: 2.1799999999999997
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+- Be
+- Th
+: 2.5
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+- Be
+- Ti
+: 2.1799999999999997
+? !!python/tuple
+- Be
+- Tm
+: 2.37
+? !!python/tuple
+- Be
+- U
+: 2.29
+? !!python/tuple
+- Be
+- V
+: 2.04
+? !!python/tuple
+- Be
+- W
+: 1.86
+? !!python/tuple
+- Be
+- Y
+: 2.37
+? !!python/tuple
+- Be
+- Yb
+: 2.33
+? !!python/tuple
+- Be
+- Zn
+: 1.94
+? !!python/tuple
+- Be
+- Zr
+: 2.26
+? !!python/tuple
+- Bi
+- Bi
+: 3.44
+? !!python/tuple
+- Bi
+- Np
+: 3.45
+? !!python/tuple
+- Bi
+- Pu
+: 3.4299999999999997
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+- Bi
+- Th
+: 3.69
+? !!python/tuple
+- Bi
+- U
+: 3.48
+? !!python/tuple
+- Br
+- Ag
+: 2.95
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+- Br
+- Au
+: 3.07
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+- Br
+- Ba
+: 2.91
+? !!python/tuple
+- Br
+- Bi
+: 3.11
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+- Br
+- Br
+: 2.78
+? !!python/tuple
+- Br
+- Cd
+: 2.95
+? !!python/tuple
+- Br
+- Ce
+: 3.37
+? !!python/tuple
+- Br
+- Cs
+: 3.24
+? !!python/tuple
+- Br
+- Dy
+: 3.1799999999999997
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+- Br
+- Er
+: 3.19
+? !!python/tuple
+- Br
+- Eu
+: 3.2199999999999998
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+- Br
+- Gd
+: 3.1799999999999997
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+- Br
+- Hf
+: 3.12
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+- Br
+- Hg
+: 3.2699999999999996
+? !!python/tuple
+- Br
+- Ho
+: 3.0199999999999996
+? !!python/tuple
+- Br
+- I
+: 2.9699999999999998
+? !!python/tuple
+- Br
+- In
+: 2.92
+? !!python/tuple
+- Br
+- Ir
+: 2.8899999999999997
+? !!python/tuple
+- Br
+- La
+: 3.3
+? !!python/tuple
+- Br
+- Lu
+: 3.25
+? !!python/tuple
+- Br
+- Mo
+: 2.96
+? !!python/tuple
+- Br
+- Nb
+: 3.05
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+- Br
+- Nd
+: 3.3099999999999996
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+- Br
+- Np
+: 3.12
+? !!python/tuple
+- Br
+- Pb
+: 3.11
+? !!python/tuple
+- Br
+- Pd
+: 3.07
+? !!python/tuple
+- Br
+- Pr
+: 3.1399999999999997
+? !!python/tuple
+- Br
+- Pt
+: 3.05
+? !!python/tuple
+- Br
+- Pu
+: 3.0999999999999996
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+- Br
+- Rb
+: 3.04
+? !!python/tuple
+- Br
+- Re
+: 2.6799999999999997
+? !!python/tuple
+- Br
+- Rh
+: 3.0199999999999996
+? !!python/tuple
+- Br
+- Ru
+: 2.9699999999999998
+? !!python/tuple
+- Br
+- Sb
+: 3.03
+? !!python/tuple
+- Br
+- Sm
+: 3.28
+? !!python/tuple
+- Br
+- Sn
+: 3.03
+? !!python/tuple
+- Br
+- Sr
+: 2.69
+? !!python/tuple
+- Br
+- Tb
+: 3.21
+? !!python/tuple
+- Br
+- Te
+: 3.04
+? !!python/tuple
+- Br
+- Th
+: 3.36
+? !!python/tuple
+- Br
+- Tm
+: 3.23
+? !!python/tuple
+- Br
+- U
+: 3.15
+? !!python/tuple
+- Br
+- W
+: 2.7199999999999998
+? !!python/tuple
+- Br
+- Y
+: 3.23
+? !!python/tuple
+- Br
+- Yb
+: 3.19
+? !!python/tuple
+- Br
+- Zr
+: 3.12
+? !!python/tuple
+- C
+- Ag
+: 2.44
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+- C
+- Al
+: 2.41
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+- C
+- As
+: 2.27
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+- C
+- Au
+: 2.56
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+- C
+- Ba
+: 2.4
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+- C
+- Bi
+: 2.6
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+- C
+- Br
+: 2.27
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+- C
+- C
+: 1.76
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+- C
+- Ca
+: 2.05
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+- C
+- Cd
+: 2.44
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+- C
+- Ce
+: 2.86
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+- C
+- Cl
+: 2.05
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+- C
+- Co
+: 2.19
+? !!python/tuple
+- C
+- Cr
+: 2.41
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+- C
+- Cs
+: 2.73
+? !!python/tuple
+- C
+- Cu
+: 2.19
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+- C
+- Dy
+: 2.67
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+- C
+- Er
+: 2.68
+? !!python/tuple
+- C
+- Eu
+: 2.71
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+- C
+- F
+: 1.7
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+- C
+- Fe
+: 2.31
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+- C
+- Ga
+: 2.28
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+- C
+- Gd
+: 2.67
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+- C
+- Ge
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+- C
+- Hf
+: 2.61
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+- C
+- Hg
+: 2.76
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+- C
+- Ho
+: 2.51
+? !!python/tuple
+- C
+- I
+: 2.46
+? !!python/tuple
+- C
+- In
+: 2.41
+? !!python/tuple
+- C
+- Ir
+: 2.38
+? !!python/tuple
+- C
+- K
+: 2.32
+? !!python/tuple
+- C
+- La
+: 2.79
+? !!python/tuple
+- C
+- Lu
+: 2.74
+? !!python/tuple
+- C
+- Mg
+: 2.16
+? !!python/tuple
+- C
+- Mn
+: 2.41
+? !!python/tuple
+- C
+- Mo
+: 2.45
+? !!python/tuple
+- C
+- N
+: 1.74
+? !!python/tuple
+- C
+- Na
+: 2.03
+? !!python/tuple
+- C
+- Nb
+: 2.54
+? !!python/tuple
+- C
+- Nd
+: 2.8
+? !!python/tuple
+- C
+- Ni
+: 2.21
+? !!python/tuple
+- C
+- Np
+: 2.61
+? !!python/tuple
+- C
+- O
+: 1.77
+? !!python/tuple
+- C
+- P
+: 2.16
+? !!python/tuple
+- C
+- Pb
+: 2.6
+? !!python/tuple
+- C
+- Pd
+: 2.56
+? !!python/tuple
+- C
+- Pr
+: 2.63
+? !!python/tuple
+- C
+- Pt
+: 2.54
+? !!python/tuple
+- C
+- Pu
+: 2.59
+? !!python/tuple
+- C
+- Rb
+: 2.53
+? !!python/tuple
+- C
+- Re
+: 2.17
+? !!python/tuple
+- C
+- Rh
+: 2.51
+? !!python/tuple
+- C
+- Ru
+: 2.46
+? !!python/tuple
+- C
+- S
+: 2.08
+? !!python/tuple
+- C
+- Sb
+: 2.52
+? !!python/tuple
+- C
+- Sc
+: 2.5
+? !!python/tuple
+- C
+- Se
+: 2.28
+? !!python/tuple
+- C
+- Si
+: 2.26
+? !!python/tuple
+- C
+- Sm
+: 2.77
+? !!python/tuple
+- C
+- Sn
+: 2.52
+? !!python/tuple
+- C
+- Sr
+: 2.18
+? !!python/tuple
+- C
+- Tb
+: 2.7
+? !!python/tuple
+- C
+- Te
+: 2.53
+? !!python/tuple
+- C
+- Th
+: 2.85
+? !!python/tuple
+- C
+- Ti
+: 2.53
+? !!python/tuple
+- C
+- Tm
+: 2.72
+? !!python/tuple
+- C
+- U
+: 2.64
+? !!python/tuple
+- C
+- V
+: 2.39
+? !!python/tuple
+- C
+- W
+: 2.21
+? !!python/tuple
+- C
+- Y
+: 2.72
+? !!python/tuple
+- C
+- Yb
+: 2.68
+? !!python/tuple
+- C
+- Zn
+: 2.29
+? !!python/tuple
+- C
+- Zr
+: 2.61
+? !!python/tuple
+- Ca
+- Ag
+: 2.73
+? !!python/tuple
+- Ca
+- As
+: 2.5599999999999996
+? !!python/tuple
+- Ca
+- Au
+: 2.8499999999999996
+? !!python/tuple
+- Ca
+- Ba
+: 2.69
+? !!python/tuple
+- Ca
+- Bi
+: 2.8899999999999997
+? !!python/tuple
+- Ca
+- Br
+: 2.5599999999999996
+? !!python/tuple
+- Ca
+- Ca
+: 2.34
+? !!python/tuple
+- Ca
+- Cd
+: 2.73
+? !!python/tuple
+- Ca
+- Ce
+: 3.15
+? !!python/tuple
+- Ca
+- Co
+: 2.48
+? !!python/tuple
+- Ca
+- Cr
+: 2.7
+? !!python/tuple
+- Ca
+- Cs
+: 3.02
+? !!python/tuple
+- Ca
+- Cu
+: 2.48
+? !!python/tuple
+- Ca
+- Dy
+: 2.96
+? !!python/tuple
+- Ca
+- Er
+: 2.9699999999999998
+? !!python/tuple
+- Ca
+- Eu
+: 3.0
+? !!python/tuple
+- Ca
+- Fe
+: 2.5999999999999996
+? !!python/tuple
+- Ca
+- Ga
+: 2.57
+? !!python/tuple
+- Ca
+- Gd
+: 2.96
+? !!python/tuple
+- Ca
+- Ge
+: 2.52
+? !!python/tuple
+- Ca
+- Hf
+: 2.9
+? !!python/tuple
+- Ca
+- Hg
+: 3.05
+? !!python/tuple
+- Ca
+- Ho
+: 2.8
+? !!python/tuple
+- Ca
+- I
+: 2.75
+? !!python/tuple
+- Ca
+- In
+: 2.7
+? !!python/tuple
+- Ca
+- Ir
+: 2.67
+? !!python/tuple
+- Ca
+- La
+: 3.08
+? !!python/tuple
+- Ca
+- Lu
+: 3.0300000000000002
+? !!python/tuple
+- Ca
+- Mn
+: 2.7
+? !!python/tuple
+- Ca
+- Mo
+: 2.74
+? !!python/tuple
+- Ca
+- Nb
+: 2.83
+? !!python/tuple
+- Ca
+- Nd
+: 3.09
+? !!python/tuple
+- Ca
+- Ni
+: 2.5
+? !!python/tuple
+- Ca
+- Np
+: 2.9
+? !!python/tuple
+- Ca
+- Pb
+: 2.8899999999999997
+? !!python/tuple
+- Ca
+- Pd
+: 2.8499999999999996
+? !!python/tuple
+- Ca
+- Pr
+: 2.92
+? !!python/tuple
+- Ca
+- Pt
+: 2.83
+? !!python/tuple
+- Ca
+- Pu
+: 2.88
+? !!python/tuple
+- Ca
+- Rb
+: 2.82
+? !!python/tuple
+- Ca
+- Re
+: 2.46
+? !!python/tuple
+- Ca
+- Rh
+: 2.8
+? !!python/tuple
+- Ca
+- Ru
+: 2.75
+? !!python/tuple
+- Ca
+- Sb
+: 2.8099999999999996
+? !!python/tuple
+- Ca
+- Sc
+: 2.79
+? !!python/tuple
+- Ca
+- Se
+: 2.57
+? !!python/tuple
+- Ca
+- Sm
+: 3.0599999999999996
+? !!python/tuple
+- Ca
+- Sn
+: 2.8099999999999996
+? !!python/tuple
+- Ca
+- Sr
+: 2.4699999999999998
+? !!python/tuple
+- Ca
+- Tb
+: 2.99
+? !!python/tuple
+- Ca
+- Te
+: 2.82
+? !!python/tuple
+- Ca
+- Th
+: 3.1399999999999997
+? !!python/tuple
+- Ca
+- Ti
+: 2.82
+? !!python/tuple
+- Ca
+- Tm
+: 3.01
+? !!python/tuple
+- Ca
+- U
+: 2.9299999999999997
+? !!python/tuple
+- Ca
+- V
+: 2.6799999999999997
+? !!python/tuple
+- Ca
+- W
+: 2.5
+? !!python/tuple
+- Ca
+- Y
+: 3.01
+? !!python/tuple
+- Ca
+- Yb
+: 2.9699999999999998
+? !!python/tuple
+- Ca
+- Zn
+: 2.58
+? !!python/tuple
+- Ca
+- Zr
+: 2.9
+? !!python/tuple
+- Cd
+- Au
+: 3.24
+? !!python/tuple
+- Cd
+- Ba
+: 3.08
+? !!python/tuple
+- Cd
+- Bi
+: 3.2800000000000002
+? !!python/tuple
+- Cd
+- Cd
+: 3.12
+? !!python/tuple
+- Cd
+- Ce
+: 3.54
+? !!python/tuple
+- Cd
+- Cs
+: 3.41
+? !!python/tuple
+- Cd
+- Dy
+: 3.35
+? !!python/tuple
+- Cd
+- Er
+: 3.3600000000000003
+? !!python/tuple
+- Cd
+- Eu
+: 3.39
+? !!python/tuple
+- Cd
+- Gd
+: 3.35
+? !!python/tuple
+- Cd
+- Hf
+: 3.29
+? !!python/tuple
+- Cd
+- Hg
+: 3.44
+? !!python/tuple
+- Cd
+- Ho
+: 3.19
+? !!python/tuple
+- Cd
+- I
+: 3.14
+? !!python/tuple
+- Cd
+- In
+: 3.09
+? !!python/tuple
+- Cd
+- Ir
+: 3.06
+? !!python/tuple
+- Cd
+- La
+: 3.4699999999999998
+? !!python/tuple
+- Cd
+- Lu
+: 3.42
+? !!python/tuple
+- Cd
+- Nd
+: 3.48
+? !!python/tuple
+- Cd
+- Np
+: 3.29
+? !!python/tuple
+- Cd
+- Pb
+: 3.2800000000000002
+? !!python/tuple
+- Cd
+- Pr
+: 3.31
+? !!python/tuple
+- Cd
+- Pt
+: 3.2199999999999998
+? !!python/tuple
+- Cd
+- Pu
+: 3.27
+? !!python/tuple
+- Cd
+- Re
+: 2.85
+? !!python/tuple
+- Cd
+- Sb
+: 3.2
+? !!python/tuple
+- Cd
+- Sm
+: 3.45
+? !!python/tuple
+- Cd
+- Sn
+: 3.2
+? !!python/tuple
+- Cd
+- Tb
+: 3.38
+? !!python/tuple
+- Cd
+- Te
+: 3.21
+? !!python/tuple
+- Cd
+- Th
+: 3.5300000000000002
+? !!python/tuple
+- Cd
+- Tm
+: 3.4000000000000004
+? !!python/tuple
+- Cd
+- U
+: 3.3200000000000003
+? !!python/tuple
+- Cd
+- W
+: 2.89
+? !!python/tuple
+- Cd
+- Yb
+: 3.3600000000000003
+? !!python/tuple
+- Ce
+- Au
+: 3.66
+? !!python/tuple
+- Ce
+- Bi
+: 3.7
+? !!python/tuple
+- Ce
+- Ce
+: 3.96
+? !!python/tuple
+- Ce
+- Dy
+: 3.77
+? !!python/tuple
+- Ce
+- Er
+: 3.7800000000000002
+? !!python/tuple
+- Ce
+- Eu
+: 3.81
+? !!python/tuple
+- Ce
+- Gd
+: 3.77
+? !!python/tuple
+- Ce
+- Hf
+: 3.71
+? !!python/tuple
+- Ce
+- Hg
+: 3.86
+? !!python/tuple
+- Ce
+- Ho
+: 3.61
+? !!python/tuple
+- Ce
+- Ir
+: 3.48
+? !!python/tuple
+- Ce
+- Lu
+: 3.84
+? !!python/tuple
+- Ce
+- Nd
+: 3.9
+? !!python/tuple
+- Ce
+- Np
+: 3.71
+? !!python/tuple
+- Ce
+- Pb
+: 3.7
+? !!python/tuple
+- Ce
+- Pr
+: 3.73
+? !!python/tuple
+- Ce
+- Pt
+: 3.6399999999999997
+? !!python/tuple
+- Ce
+- Pu
+: 3.69
+? !!python/tuple
+- Ce
+- Re
+: 3.27
+? !!python/tuple
+- Ce
+- Sm
+: 3.87
+? !!python/tuple
+- Ce
+- Tb
+: 3.8
+? !!python/tuple
+- Ce
+- Th
+: 3.95
+? !!python/tuple
+- Ce
+- Tm
+: 3.8200000000000003
+? !!python/tuple
+- Ce
+- U
+: 3.74
+? !!python/tuple
+- Ce
+- W
+: 3.31
+? !!python/tuple
+- Ce
+- Yb
+: 3.7800000000000002
+? !!python/tuple
+- Cl
+- Ag
+: 2.73
+? !!python/tuple
+- Cl
+- As
+: 2.5599999999999996
+? !!python/tuple
+- Cl
+- Au
+: 2.8499999999999996
+? !!python/tuple
+- Cl
+- Ba
+: 2.69
+? !!python/tuple
+- Cl
+- Bi
+: 2.8899999999999997
+? !!python/tuple
+- Cl
+- Br
+: 2.5599999999999996
+? !!python/tuple
+- Cl
+- Ca
+: 2.34
+? !!python/tuple
+- Cl
+- Cd
+: 2.73
+? !!python/tuple
+- Cl
+- Ce
+: 3.15
+? !!python/tuple
+- Cl
+- Cl
+: 2.34
+? !!python/tuple
+- Cl
+- Co
+: 2.48
+? !!python/tuple
+- Cl
+- Cr
+: 2.7
+? !!python/tuple
+- Cl
+- Cs
+: 3.02
+? !!python/tuple
+- Cl
+- Cu
+: 2.48
+? !!python/tuple
+- Cl
+- Dy
+: 2.96
+? !!python/tuple
+- Cl
+- Er
+: 2.9699999999999998
+? !!python/tuple
+- Cl
+- Eu
+: 3.0
+? !!python/tuple
+- Cl
+- Fe
+: 2.5999999999999996
+? !!python/tuple
+- Cl
+- Ga
+: 2.57
+? !!python/tuple
+- Cl
+- Gd
+: 2.96
+? !!python/tuple
+- Cl
+- Ge
+: 2.52
+? !!python/tuple
+- Cl
+- Hf
+: 2.9
+? !!python/tuple
+- Cl
+- Hg
+: 3.05
+? !!python/tuple
+- Cl
+- Ho
+: 2.8
+? !!python/tuple
+- Cl
+- I
+: 2.75
+? !!python/tuple
+- Cl
+- In
+: 2.7
+? !!python/tuple
+- Cl
+- Ir
+: 2.67
+? !!python/tuple
+- Cl
+- K
+: 2.61
+? !!python/tuple
+- Cl
+- La
+: 3.08
+? !!python/tuple
+- Cl
+- Lu
+: 3.0300000000000002
+? !!python/tuple
+- Cl
+- Mn
+: 2.7
+? !!python/tuple
+- Cl
+- Mo
+: 2.74
+? !!python/tuple
+- Cl
+- Nb
+: 2.83
+? !!python/tuple
+- Cl
+- Nd
+: 3.09
+? !!python/tuple
+- Cl
+- Ni
+: 2.5
+? !!python/tuple
+- Cl
+- Np
+: 2.9
+? !!python/tuple
+- Cl
+- Pb
+: 2.8899999999999997
+? !!python/tuple
+- Cl
+- Pd
+: 2.8499999999999996
+? !!python/tuple
+- Cl
+- Pr
+: 2.92
+? !!python/tuple
+- Cl
+- Pt
+: 2.83
+? !!python/tuple
+- Cl
+- Pu
+: 2.88
+? !!python/tuple
+- Cl
+- Rb
+: 2.82
+? !!python/tuple
+- Cl
+- Re
+: 2.46
+? !!python/tuple
+- Cl
+- Rh
+: 2.8
+? !!python/tuple
+- Cl
+- Ru
+: 2.75
+? !!python/tuple
+- Cl
+- Sb
+: 2.8099999999999996
+? !!python/tuple
+- Cl
+- Sc
+: 2.79
+? !!python/tuple
+- Cl
+- Se
+: 2.57
+? !!python/tuple
+- Cl
+- Sm
+: 3.0599999999999996
+? !!python/tuple
+- Cl
+- Sn
+: 2.8099999999999996
+? !!python/tuple
+- Cl
+- Sr
+: 2.4699999999999998
+? !!python/tuple
+- Cl
+- Tb
+: 2.99
+? !!python/tuple
+- Cl
+- Te
+: 2.82
+? !!python/tuple
+- Cl
+- Th
+: 3.1399999999999997
+? !!python/tuple
+- Cl
+- Ti
+: 2.82
+? !!python/tuple
+- Cl
+- Tm
+: 3.01
+? !!python/tuple
+- Cl
+- U
+: 2.9299999999999997
+? !!python/tuple
+- Cl
+- V
+: 2.6799999999999997
+? !!python/tuple
+- Cl
+- W
+: 2.5
+? !!python/tuple
+- Cl
+- Y
+: 3.01
+? !!python/tuple
+- Cl
+- Yb
+: 2.9699999999999998
+? !!python/tuple
+- Cl
+- Zn
+: 2.58
+? !!python/tuple
+- Cl
+- Zr
+: 2.9
+? !!python/tuple
+- Co
+- Ag
+: 2.87
+? !!python/tuple
+- Co
+- As
+: 2.7
+? !!python/tuple
+- Co
+- Au
+: 2.99
+? !!python/tuple
+- Co
+- Ba
+: 2.83
+? !!python/tuple
+- Co
+- Bi
+: 3.0300000000000002
+? !!python/tuple
+- Co
+- Br
+: 2.7
+? !!python/tuple
+- Co
+- Cd
+: 2.87
+? !!python/tuple
+- Co
+- Ce
+: 3.29
+? !!python/tuple
+- Co
+- Co
+: 2.62
+? !!python/tuple
+- Co
+- Cs
+: 3.16
+? !!python/tuple
+- Co
+- Cu
+: 2.62
+? !!python/tuple
+- Co
+- Dy
+: 3.1
+? !!python/tuple
+- Co
+- Er
+: 3.1100000000000003
+? !!python/tuple
+- Co
+- Eu
+: 3.14
+? !!python/tuple
+- Co
+- Ga
+: 2.71
+? !!python/tuple
+- Co
+- Gd
+: 3.1
+? !!python/tuple
+- Co
+- Ge
+: 2.66
+? !!python/tuple
+- Co
+- Hf
+: 3.04
+? !!python/tuple
+- Co
+- Hg
+: 3.19
+? !!python/tuple
+- Co
+- Ho
+: 2.94
+? !!python/tuple
+- Co
+- I
+: 2.89
+? !!python/tuple
+- Co
+- In
+: 2.84
+? !!python/tuple
+- Co
+- Ir
+: 2.81
+? !!python/tuple
+- Co
+- La
+: 3.2199999999999998
+? !!python/tuple
+- Co
+- Lu
+: 3.17
+? !!python/tuple
+- Co
+- Mo
+: 2.88
+? !!python/tuple
+- Co
+- Nb
+: 2.9699999999999998
+? !!python/tuple
+- Co
+- Nd
+: 3.23
+? !!python/tuple
+- Co
+- Ni
+: 2.64
+? !!python/tuple
+- Co
+- Np
+: 3.04
+? !!python/tuple
+- Co
+- Pb
+: 3.0300000000000002
+? !!python/tuple
+- Co
+- Pd
+: 2.99
+? !!python/tuple
+- Co
+- Pr
+: 3.06
+? !!python/tuple
+- Co
+- Pt
+: 2.9699999999999998
+? !!python/tuple
+- Co
+- Pu
+: 3.02
+? !!python/tuple
+- Co
+- Rb
+: 2.96
+? !!python/tuple
+- Co
+- Re
+: 2.6
+? !!python/tuple
+- Co
+- Rh
+: 2.94
+? !!python/tuple
+- Co
+- Ru
+: 2.89
+? !!python/tuple
+- Co
+- Sb
+: 2.95
+? !!python/tuple
+- Co
+- Se
+: 2.71
+? !!python/tuple
+- Co
+- Sm
+: 3.2
+? !!python/tuple
+- Co
+- Sn
+: 2.95
+? !!python/tuple
+- Co
+- Sr
+: 2.6100000000000003
+? !!python/tuple
+- Co
+- Tb
+: 3.13
+? !!python/tuple
+- Co
+- Te
+: 2.96
+? !!python/tuple
+- Co
+- Th
+: 3.2800000000000002
+? !!python/tuple
+- Co
+- Tm
+: 3.1500000000000004
+? !!python/tuple
+- Co
+- U
+: 3.0700000000000003
+? !!python/tuple
+- Co
+- W
+: 2.64
+? !!python/tuple
+- Co
+- Y
+: 3.1500000000000004
+? !!python/tuple
+- Co
+- Yb
+: 3.1100000000000003
+? !!python/tuple
+- Co
+- Zn
+: 2.7199999999999998
+? !!python/tuple
+- Co
+- Zr
+: 3.04
+? !!python/tuple
+- Cr
+- Ag
+: 3.09
+? !!python/tuple
+- Cr
+- As
+: 2.92
+? !!python/tuple
+- Cr
+- Au
+: 3.21
+? !!python/tuple
+- Cr
+- Ba
+: 3.05
+? !!python/tuple
+- Cr
+- Bi
+: 3.25
+? !!python/tuple
+- Cr
+- Br
+: 2.92
+? !!python/tuple
+- Cr
+- Cd
+: 3.09
+? !!python/tuple
+- Cr
+- Ce
+: 3.51
+? !!python/tuple
+- Cr
+- Co
+: 2.84
+? !!python/tuple
+- Cr
+- Cr
+: 3.06
+? !!python/tuple
+- Cr
+- Cs
+: 3.38
+? !!python/tuple
+- Cr
+- Cu
+: 2.84
+? !!python/tuple
+- Cr
+- Dy
+: 3.3200000000000003
+? !!python/tuple
+- Cr
+- Er
+: 3.33
+? !!python/tuple
+- Cr
+- Eu
+: 3.3600000000000003
+? !!python/tuple
+- Cr
+- Fe
+: 2.96
+? !!python/tuple
+- Cr
+- Ga
+: 2.9299999999999997
+? !!python/tuple
+- Cr
+- Gd
+: 3.3200000000000003
+? !!python/tuple
+- Cr
+- Ge
+: 2.88
+? !!python/tuple
+- Cr
+- Hf
+: 3.26
+? !!python/tuple
+- Cr
+- Hg
+: 3.41
+? !!python/tuple
+- Cr
+- Ho
+: 3.16
+? !!python/tuple
+- Cr
+- I
+: 3.1100000000000003
+? !!python/tuple
+- Cr
+- In
+: 3.06
+? !!python/tuple
+- Cr
+- Ir
+: 3.0300000000000002
+? !!python/tuple
+- Cr
+- La
+: 3.44
+? !!python/tuple
+- Cr
+- Lu
+: 3.39
+? !!python/tuple
+- Cr
+- Mn
+: 3.06
+? !!python/tuple
+- Cr
+- Mo
+: 3.1
+? !!python/tuple
+- Cr
+- Nb
+: 3.19
+? !!python/tuple
+- Cr
+- Nd
+: 3.45
+? !!python/tuple
+- Cr
+- Ni
+: 2.8600000000000003
+? !!python/tuple
+- Cr
+- Np
+: 3.26
+? !!python/tuple
+- Cr
+- Pb
+: 3.25
+? !!python/tuple
+- Cr
+- Pd
+: 3.21
+? !!python/tuple
+- Cr
+- Pr
+: 3.2800000000000002
+? !!python/tuple
+- Cr
+- Pt
+: 3.19
+? !!python/tuple
+- Cr
+- Pu
+: 3.24
+? !!python/tuple
+- Cr
+- Rb
+: 3.1799999999999997
+? !!python/tuple
+- Cr
+- Re
+: 2.8200000000000003
+? !!python/tuple
+- Cr
+- Rh
+: 3.16
+? !!python/tuple
+- Cr
+- Ru
+: 3.1100000000000003
+? !!python/tuple
+- Cr
+- Sb
+: 3.17
+? !!python/tuple
+- Cr
+- Se
+: 2.9299999999999997
+? !!python/tuple
+- Cr
+- Sm
+: 3.42
+? !!python/tuple
+- Cr
+- Sn
+: 3.17
+? !!python/tuple
+- Cr
+- Sr
+: 2.83
+? !!python/tuple
+- Cr
+- Tb
+: 3.35
+? !!python/tuple
+- Cr
+- Te
+: 3.1799999999999997
+? !!python/tuple
+- Cr
+- Th
+: 3.5
+? !!python/tuple
+- Cr
+- Tm
+: 3.37
+? !!python/tuple
+- Cr
+- U
+: 3.29
+? !!python/tuple
+- Cr
+- W
+: 2.8600000000000003
+? !!python/tuple
+- Cr
+- Y
+: 3.37
+? !!python/tuple
+- Cr
+- Yb
+: 3.33
+? !!python/tuple
+- Cr
+- Zn
+: 2.94
+? !!python/tuple
+- Cr
+- Zr
+: 3.26
+? !!python/tuple
+- Cs
+- Au
+: 3.5300000000000002
+? !!python/tuple
+- Cs
+- Ba
+: 3.37
+? !!python/tuple
+- Cs
+- Bi
+: 3.5700000000000003
+? !!python/tuple
+- Cs
+- Ce
+: 3.83
+? !!python/tuple
+- Cs
+- Cs
+: 3.7
+? !!python/tuple
+- Cs
+- Dy
+: 3.64
+? !!python/tuple
+- Cs
+- Er
+: 3.6500000000000004
+? !!python/tuple
+- Cs
+- Eu
+: 3.68
+? !!python/tuple
+- Cs
+- Gd
+: 3.64
+? !!python/tuple
+- Cs
+- Hf
+: 3.58
+? !!python/tuple
+- Cs
+- Hg
+: 3.73
+? !!python/tuple
+- Cs
+- Ho
+: 3.48
+? !!python/tuple
+- Cs
+- Ir
+: 3.35
+? !!python/tuple
+- Cs
+- La
+: 3.76
+? !!python/tuple
+- Cs
+- Lu
+: 3.71
+? !!python/tuple
+- Cs
+- Nd
+: 3.77
+? !!python/tuple
+- Cs
+- Np
+: 3.58
+? !!python/tuple
+- Cs
+- Pb
+: 3.5700000000000003
+? !!python/tuple
+- Cs
+- Pr
+: 3.6
+? !!python/tuple
+- Cs
+- Pt
+: 3.51
+? !!python/tuple
+- Cs
+- Pu
+: 3.56
+? !!python/tuple
+- Cs
+- Re
+: 3.14
+? !!python/tuple
+- Cs
+- Sm
+: 3.74
+? !!python/tuple
+- Cs
+- Tb
+: 3.67
+? !!python/tuple
+- Cs
+- Th
+: 3.8200000000000003
+? !!python/tuple
+- Cs
+- Tm
+: 3.6900000000000004
+? !!python/tuple
+- Cs
+- U
+: 3.6100000000000003
+? !!python/tuple
+- Cs
+- W
+: 3.18
+? !!python/tuple
+- Cs
+- Yb
+: 3.6500000000000004
+? !!python/tuple
+- Cu
+- Ag
+: 2.87
+? !!python/tuple
+- Cu
+- As
+: 2.7
+? !!python/tuple
+- Cu
+- Au
+: 2.99
+? !!python/tuple
+- Cu
+- Ba
+: 2.83
+? !!python/tuple
+- Cu
+- Bi
+: 3.0300000000000002
+? !!python/tuple
+- Cu
+- Br
+: 2.7
+? !!python/tuple
+- Cu
+- Cd
+: 2.87
+? !!python/tuple
+- Cu
+- Ce
+: 3.29
+? !!python/tuple
+- Cu
+- Cs
+: 3.16
+? !!python/tuple
+- Cu
+- Cu
+: 2.62
+? !!python/tuple
+- Cu
+- Dy
+: 3.1
+? !!python/tuple
+- Cu
+- Er
+: 3.1100000000000003
+? !!python/tuple
+- Cu
+- Eu
+: 3.14
+? !!python/tuple
+- Cu
+- Ga
+: 2.71
+? !!python/tuple
+- Cu
+- Gd
+: 3.1
+? !!python/tuple
+- Cu
+- Ge
+: 2.66
+? !!python/tuple
+- Cu
+- Hf
+: 3.04
+? !!python/tuple
+- Cu
+- Hg
+: 3.19
+? !!python/tuple
+- Cu
+- Ho
+: 2.94
+? !!python/tuple
+- Cu
+- I
+: 2.89
+? !!python/tuple
+- Cu
+- In
+: 2.84
+? !!python/tuple
+- Cu
+- Ir
+: 2.81
+? !!python/tuple
+- Cu
+- La
+: 3.2199999999999998
+? !!python/tuple
+- Cu
+- Lu
+: 3.17
+? !!python/tuple
+- Cu
+- Mo
+: 2.88
+? !!python/tuple
+- Cu
+- Nb
+: 2.9699999999999998
+? !!python/tuple
+- Cu
+- Nd
+: 3.23
+? !!python/tuple
+- Cu
+- Np
+: 3.04
+? !!python/tuple
+- Cu
+- Pb
+: 3.0300000000000002
+? !!python/tuple
+- Cu
+- Pd
+: 2.99
+? !!python/tuple
+- Cu
+- Pr
+: 3.06
+? !!python/tuple
+- Cu
+- Pt
+: 2.9699999999999998
+? !!python/tuple
+- Cu
+- Pu
+: 3.02
+? !!python/tuple
+- Cu
+- Rb
+: 2.96
+? !!python/tuple
+- Cu
+- Re
+: 2.6
+? !!python/tuple
+- Cu
+- Rh
+: 2.94
+? !!python/tuple
+- Cu
+- Ru
+: 2.89
+? !!python/tuple
+- Cu
+- Sb
+: 2.95
+? !!python/tuple
+- Cu
+- Se
+: 2.71
+? !!python/tuple
+- Cu
+- Sm
+: 3.2
+? !!python/tuple
+- Cu
+- Sn
+: 2.95
+? !!python/tuple
+- Cu
+- Sr
+: 2.6100000000000003
+? !!python/tuple
+- Cu
+- Tb
+: 3.13
+? !!python/tuple
+- Cu
+- Te
+: 2.96
+? !!python/tuple
+- Cu
+- Th
+: 3.2800000000000002
+? !!python/tuple
+- Cu
+- Tm
+: 3.1500000000000004
+? !!python/tuple
+- Cu
+- U
+: 3.0700000000000003
+? !!python/tuple
+- Cu
+- W
+: 2.64
+? !!python/tuple
+- Cu
+- Y
+: 3.1500000000000004
+? !!python/tuple
+- Cu
+- Yb
+: 3.1100000000000003
+? !!python/tuple
+- Cu
+- Zn
+: 2.7199999999999998
+? !!python/tuple
+- Cu
+- Zr
+: 3.04
+? !!python/tuple
+- Dy
+- Au
+: 3.4699999999999998
+? !!python/tuple
+- Dy
+- Bi
+: 3.51
+? !!python/tuple
+- Dy
+- Dy
+: 3.58
+? !!python/tuple
+- Dy
+- Er
+: 3.59
+? !!python/tuple
+- Dy
+- Hf
+: 3.52
+? !!python/tuple
+- Dy
+- Hg
+: 3.67
+? !!python/tuple
+- Dy
+- Ho
+: 3.42
+? !!python/tuple
+- Dy
+- Ir
+: 3.29
+? !!python/tuple
+- Dy
+- Lu
+: 3.6500000000000004
+? !!python/tuple
+- Dy
+- Np
+: 3.52
+? !!python/tuple
+- Dy
+- Pb
+: 3.51
+? !!python/tuple
+- Dy
+- Pt
+: 3.45
+? !!python/tuple
+- Dy
+- Pu
+: 3.5
+? !!python/tuple
+- Dy
+- Re
+: 3.08
+? !!python/tuple
+- Dy
+- Th
+: 3.76
+? !!python/tuple
+- Dy
+- Tm
+: 3.63
+? !!python/tuple
+- Dy
+- U
+: 3.55
+? !!python/tuple
+- Dy
+- W
+: 3.12
+? !!python/tuple
+- Dy
+- Yb
+: 3.59
+? !!python/tuple
+- Er
+- Au
+: 3.48
+? !!python/tuple
+- Er
+- Bi
+: 3.52
+? !!python/tuple
+- Er
+- Er
+: 3.6
+? !!python/tuple
+- Er
+- Hf
+: 3.5300000000000002
+? !!python/tuple
+- Er
+- Hg
+: 3.6799999999999997
+? !!python/tuple
+- Er
+- Ir
+: 3.3
+? !!python/tuple
+- Er
+- Lu
+: 3.66
+? !!python/tuple
+- Er
+- Np
+: 3.5300000000000002
+? !!python/tuple
+- Er
+- Pb
+: 3.52
+? !!python/tuple
+- Er
+- Pt
+: 3.46
+? !!python/tuple
+- Er
+- Pu
+: 3.51
+? !!python/tuple
+- Er
+- Re
+: 3.09
+? !!python/tuple
+- Er
+- Th
+: 3.77
+? !!python/tuple
+- Er
+- Tm
+: 3.64
+? !!python/tuple
+- Er
+- U
+: 3.56
+? !!python/tuple
+- Er
+- W
+: 3.13
+? !!python/tuple
+- Er
+- Yb
+: 3.6
+? !!python/tuple
+- Eu
+- Au
+: 3.51
+? !!python/tuple
+- Eu
+- Bi
+: 3.55
+? !!python/tuple
+- Eu
+- Dy
+: 3.62
+? !!python/tuple
+- Eu
+- Er
+: 3.63
+? !!python/tuple
+- Eu
+- Eu
+: 3.66
+? !!python/tuple
+- Eu
+- Gd
+: 3.62
+? !!python/tuple
+- Eu
+- Hf
+: 3.56
+? !!python/tuple
+- Eu
+- Hg
+: 3.71
+? !!python/tuple
+- Eu
+- Ho
+: 3.46
+? !!python/tuple
+- Eu
+- Ir
+: 3.33
+? !!python/tuple
+- Eu
+- Lu
+: 3.6900000000000004
+? !!python/tuple
+- Eu
+- Np
+: 3.56
+? !!python/tuple
+- Eu
+- Pb
+: 3.55
+? !!python/tuple
+- Eu
+- Pt
+: 3.49
+? !!python/tuple
+- Eu
+- Pu
+: 3.54
+? !!python/tuple
+- Eu
+- Re
+: 3.12
+? !!python/tuple
+- Eu
+- Tb
+: 3.6500000000000004
+? !!python/tuple
+- Eu
+- Th
+: 3.8
+? !!python/tuple
+- Eu
+- Tm
+: 3.67
+? !!python/tuple
+- Eu
+- U
+: 3.59
+? !!python/tuple
+- Eu
+- W
+: 3.16
+? !!python/tuple
+- Eu
+- Yb
+: 3.63
+? !!python/tuple
+- F
+- Ag
+: 2.38
+? !!python/tuple
+- F
+- Al
+: 2.35
+? !!python/tuple
+- F
+- As
+: 2.21
+? !!python/tuple
+- F
+- Au
+: 2.5
+? !!python/tuple
+- F
+- Ba
+: 2.34
+? !!python/tuple
+- F
+- Bi
+: 2.54
+? !!python/tuple
+- F
+- Br
+: 2.21
+? !!python/tuple
+- F
+- Ca
+: 1.9899999999999998
+? !!python/tuple
+- F
+- Cd
+: 2.38
+? !!python/tuple
+- F
+- Ce
+: 2.8
+? !!python/tuple
+- F
+- Cl
+: 1.9899999999999998
+? !!python/tuple
+- F
+- Co
+: 2.13
+? !!python/tuple
+- F
+- Cr
+: 2.35
+? !!python/tuple
+- F
+- Cs
+: 2.67
+? !!python/tuple
+- F
+- Cu
+: 2.13
+? !!python/tuple
+- F
+- Dy
+: 2.61
+? !!python/tuple
+- F
+- Er
+: 2.62
+? !!python/tuple
+- F
+- Eu
+: 2.65
+? !!python/tuple
+- F
+- F
+: 1.64
+? !!python/tuple
+- F
+- Fe
+: 2.25
+? !!python/tuple
+- F
+- Ga
+: 2.2199999999999998
+? !!python/tuple
+- F
+- Gd
+: 2.61
+? !!python/tuple
+- F
+- Ge
+: 2.17
+? !!python/tuple
+- F
+- Hf
+: 2.55
+? !!python/tuple
+- F
+- Hg
+: 2.6999999999999997
+? !!python/tuple
+- F
+- Ho
+: 2.4499999999999997
+? !!python/tuple
+- F
+- I
+: 2.4
+? !!python/tuple
+- F
+- In
+: 2.35
+? !!python/tuple
+- F
+- Ir
+: 2.32
+? !!python/tuple
+- F
+- K
+: 2.26
+? !!python/tuple
+- F
+- La
+: 2.73
+? !!python/tuple
+- F
+- Lu
+: 2.68
+? !!python/tuple
+- F
+- Mg
+: 2.1
+? !!python/tuple
+- F
+- Mn
+: 2.35
+? !!python/tuple
+- F
+- Mo
+: 2.39
+? !!python/tuple
+- F
+- Na
+: 1.9699999999999998
+? !!python/tuple
+- F
+- Nb
+: 2.48
+? !!python/tuple
+- F
+- Nd
+: 2.7399999999999998
+? !!python/tuple
+- F
+- Ni
+: 2.15
+? !!python/tuple
+- F
+- Np
+: 2.55
+? !!python/tuple
+- F
+- P
+: 2.1
+? !!python/tuple
+- F
+- Pb
+: 2.54
+? !!python/tuple
+- F
+- Pd
+: 2.5
+? !!python/tuple
+- F
+- Pr
+: 2.57
+? !!python/tuple
+- F
+- Pt
+: 2.48
+? !!python/tuple
+- F
+- Pu
+: 2.53
+? !!python/tuple
+- F
+- Rb
+: 2.4699999999999998
+? !!python/tuple
+- F
+- Re
+: 2.11
+? !!python/tuple
+- F
+- Rh
+: 2.4499999999999997
+? !!python/tuple
+- F
+- Ru
+: 2.4
+? !!python/tuple
+- F
+- S
+: 2.02
+? !!python/tuple
+- F
+- Sb
+: 2.46
+? !!python/tuple
+- F
+- Sc
+: 2.44
+? !!python/tuple
+- F
+- Se
+: 2.2199999999999998
+? !!python/tuple
+- F
+- Si
+: 2.1999999999999997
+? !!python/tuple
+- F
+- Sm
+: 2.71
+? !!python/tuple
+- F
+- Sn
+: 2.46
+? !!python/tuple
+- F
+- Sr
+: 2.12
+? !!python/tuple
+- F
+- Tb
+: 2.64
+? !!python/tuple
+- F
+- Te
+: 2.4699999999999998
+? !!python/tuple
+- F
+- Th
+: 2.79
+? !!python/tuple
+- F
+- Ti
+: 2.4699999999999998
+? !!python/tuple
+- F
+- Tm
+: 2.66
+? !!python/tuple
+- F
+- U
+: 2.58
+? !!python/tuple
+- F
+- V
+: 2.33
+? !!python/tuple
+- F
+- W
+: 2.15
+? !!python/tuple
+- F
+- Y
+: 2.66
+? !!python/tuple
+- F
+- Yb
+: 2.62
+? !!python/tuple
+- F
+- Zn
+: 2.23
+? !!python/tuple
+- F
+- Zr
+: 2.55
+? !!python/tuple
+- Fe
+- Ag
+: 2.99
+? !!python/tuple
+- Fe
+- As
+: 2.82
+? !!python/tuple
+- Fe
+- Au
+: 3.11
+? !!python/tuple
+- Fe
+- Ba
+: 2.95
+? !!python/tuple
+- Fe
+- Bi
+: 3.15
+? !!python/tuple
+- Fe
+- Br
+: 2.82
+? !!python/tuple
+- Fe
+- Cd
+: 2.99
+? !!python/tuple
+- Fe
+- Ce
+: 3.41
+? !!python/tuple
+- Fe
+- Co
+: 2.74
+? !!python/tuple
+- Fe
+- Cs
+: 3.2800000000000002
+? !!python/tuple
+- Fe
+- Cu
+: 2.74
+? !!python/tuple
+- Fe
+- Dy
+: 3.2199999999999998
+? !!python/tuple
+- Fe
+- Er
+: 3.23
+? !!python/tuple
+- Fe
+- Eu
+: 3.26
+? !!python/tuple
+- Fe
+- Fe
+: 2.86
+? !!python/tuple
+- Fe
+- Ga
+: 2.83
+? !!python/tuple
+- Fe
+- Gd
+: 3.2199999999999998
+? !!python/tuple
+- Fe
+- Ge
+: 2.7800000000000002
+? !!python/tuple
+- Fe
+- Hf
+: 3.16
+? !!python/tuple
+- Fe
+- Hg
+: 3.3099999999999996
+? !!python/tuple
+- Fe
+- Ho
+: 3.0599999999999996
+? !!python/tuple
+- Fe
+- I
+: 3.01
+? !!python/tuple
+- Fe
+- In
+: 2.96
+? !!python/tuple
+- Fe
+- Ir
+: 2.9299999999999997
+? !!python/tuple
+- Fe
+- La
+: 3.34
+? !!python/tuple
+- Fe
+- Lu
+: 3.29
+? !!python/tuple
+- Fe
+- Mo
+: 3.0
+? !!python/tuple
+- Fe
+- Nb
+: 3.09
+? !!python/tuple
+- Fe
+- Nd
+: 3.3499999999999996
+? !!python/tuple
+- Fe
+- Ni
+: 2.76
+? !!python/tuple
+- Fe
+- Np
+: 3.16
+? !!python/tuple
+- Fe
+- Pb
+: 3.15
+? !!python/tuple
+- Fe
+- Pd
+: 3.11
+? !!python/tuple
+- Fe
+- Pr
+: 3.1799999999999997
+? !!python/tuple
+- Fe
+- Pt
+: 3.09
+? !!python/tuple
+- Fe
+- Pu
+: 3.1399999999999997
+? !!python/tuple
+- Fe
+- Rb
+: 3.08
+? !!python/tuple
+- Fe
+- Re
+: 2.7199999999999998
+? !!python/tuple
+- Fe
+- Rh
+: 3.0599999999999996
+? !!python/tuple
+- Fe
+- Ru
+: 3.01
+? !!python/tuple
+- Fe
+- Sb
+: 3.07
+? !!python/tuple
+- Fe
+- Se
+: 2.83
+? !!python/tuple
+- Fe
+- Sm
+: 3.32
+? !!python/tuple
+- Fe
+- Sn
+: 3.07
+? !!python/tuple
+- Fe
+- Sr
+: 2.73
+? !!python/tuple
+- Fe
+- Tb
+: 3.25
+? !!python/tuple
+- Fe
+- Te
+: 3.08
+? !!python/tuple
+- Fe
+- Th
+: 3.4
+? !!python/tuple
+- Fe
+- Tm
+: 3.27
+? !!python/tuple
+- Fe
+- U
+: 3.19
+? !!python/tuple
+- Fe
+- W
+: 2.76
+? !!python/tuple
+- Fe
+- Y
+: 3.27
+? !!python/tuple
+- Fe
+- Yb
+: 3.23
+? !!python/tuple
+- Fe
+- Zn
+: 2.84
+? !!python/tuple
+- Fe
+- Zr
+: 3.16
+? !!python/tuple
+- Ga
+- Ag
+: 2.96
+? !!python/tuple
+- Ga
+- As
+: 2.79
+? !!python/tuple
+- Ga
+- Au
+: 3.08
+? !!python/tuple
+- Ga
+- Ba
+: 2.92
+? !!python/tuple
+- Ga
+- Bi
+: 3.12
+? !!python/tuple
+- Ga
+- Br
+: 2.79
+? !!python/tuple
+- Ga
+- Cd
+: 2.96
+? !!python/tuple
+- Ga
+- Ce
+: 3.38
+? !!python/tuple
+- Ga
+- Cs
+: 3.25
+? !!python/tuple
+- Ga
+- Dy
+: 3.19
+? !!python/tuple
+- Ga
+- Er
+: 3.2
+? !!python/tuple
+- Ga
+- Eu
+: 3.23
+? !!python/tuple
+- Ga
+- Ga
+: 2.8
+? !!python/tuple
+- Ga
+- Gd
+: 3.19
+? !!python/tuple
+- Ga
+- Ge
+: 2.75
+? !!python/tuple
+- Ga
+- Hf
+: 3.13
+? !!python/tuple
+- Ga
+- Hg
+: 3.28
+? !!python/tuple
+- Ga
+- Ho
+: 3.03
+? !!python/tuple
+- Ga
+- I
+: 2.98
+? !!python/tuple
+- Ga
+- In
+: 2.9299999999999997
+? !!python/tuple
+- Ga
+- Ir
+: 2.9
+? !!python/tuple
+- Ga
+- La
+: 3.3099999999999996
+? !!python/tuple
+- Ga
+- Lu
+: 3.26
+? !!python/tuple
+- Ga
+- Mo
+: 2.9699999999999998
+? !!python/tuple
+- Ga
+- Nb
+: 3.0599999999999996
+? !!python/tuple
+- Ga
+- Nd
+: 3.32
+? !!python/tuple
+- Ga
+- Np
+: 3.13
+? !!python/tuple
+- Ga
+- Pb
+: 3.12
+? !!python/tuple
+- Ga
+- Pd
+: 3.08
+? !!python/tuple
+- Ga
+- Pr
+: 3.15
+? !!python/tuple
+- Ga
+- Pt
+: 3.0599999999999996
+? !!python/tuple
+- Ga
+- Pu
+: 3.11
+? !!python/tuple
+- Ga
+- Rb
+: 3.05
+? !!python/tuple
+- Ga
+- Re
+: 2.69
+? !!python/tuple
+- Ga
+- Rh
+: 3.03
+? !!python/tuple
+- Ga
+- Ru
+: 2.98
+? !!python/tuple
+- Ga
+- Sb
+: 3.04
+? !!python/tuple
+- Ga
+- Se
+: 2.8
+? !!python/tuple
+- Ga
+- Sm
+: 3.29
+? !!python/tuple
+- Ga
+- Sn
+: 3.04
+? !!python/tuple
+- Ga
+- Sr
+: 2.7
+? !!python/tuple
+- Ga
+- Tb
+: 3.2199999999999998
+? !!python/tuple
+- Ga
+- Te
+: 3.05
+? !!python/tuple
+- Ga
+- Th
+: 3.37
+? !!python/tuple
+- Ga
+- Tm
+: 3.24
+? !!python/tuple
+- Ga
+- U
+: 3.16
+? !!python/tuple
+- Ga
+- W
+: 2.73
+? !!python/tuple
+- Ga
+- Y
+: 3.24
+? !!python/tuple
+- Ga
+- Yb
+: 3.2
+? !!python/tuple
+- Ga
+- Zr
+: 3.13
+? !!python/tuple
+- Gd
+- Au
+: 3.4699999999999998
+? !!python/tuple
+- Gd
+- Bi
+: 3.51
+? !!python/tuple
+- Gd
+- Dy
+: 3.58
+? !!python/tuple
+- Gd
+- Er
+: 3.59
+? !!python/tuple
+- Gd
+- Gd
+: 3.58
+? !!python/tuple
+- Gd
+- Hf
+: 3.52
+? !!python/tuple
+- Gd
+- Hg
+: 3.67
+? !!python/tuple
+- Gd
+- Ho
+: 3.42
+? !!python/tuple
+- Gd
+- Ir
+: 3.29
+? !!python/tuple
+- Gd
+- Lu
+: 3.6500000000000004
+? !!python/tuple
+- Gd
+- Np
+: 3.52
+? !!python/tuple
+- Gd
+- Pb
+: 3.51
+? !!python/tuple
+- Gd
+- Pt
+: 3.45
+? !!python/tuple
+- Gd
+- Pu
+: 3.5
+? !!python/tuple
+- Gd
+- Re
+: 3.08
+? !!python/tuple
+- Gd
+- Tb
+: 3.6100000000000003
+? !!python/tuple
+- Gd
+- Th
+: 3.76
+? !!python/tuple
+- Gd
+- Tm
+: 3.63
+? !!python/tuple
+- Gd
+- U
+: 3.55
+? !!python/tuple
+- Gd
+- W
+: 3.12
+? !!python/tuple
+- Gd
+- Yb
+: 3.59
+? !!python/tuple
+- Ge
+- Ag
+: 2.91
+? !!python/tuple
+- Ge
+- As
+: 2.74
+? !!python/tuple
+- Ge
+- Au
+: 3.0300000000000002
+? !!python/tuple
+- Ge
+- Ba
+: 2.87
+? !!python/tuple
+- Ge
+- Bi
+: 3.0700000000000003
+? !!python/tuple
+- Ge
+- Br
+: 2.74
+? !!python/tuple
+- Ge
+- Cd
+: 2.91
+? !!python/tuple
+- Ge
+- Ce
+: 3.33
+? !!python/tuple
+- Ge
+- Cs
+: 3.2
+? !!python/tuple
+- Ge
+- Dy
+: 3.14
+? !!python/tuple
+- Ge
+- Er
+: 3.1500000000000004
+? !!python/tuple
+- Ge
+- Eu
+: 3.18
+? !!python/tuple
+- Ge
+- Gd
+: 3.14
+? !!python/tuple
+- Ge
+- Ge
+: 2.7
+? !!python/tuple
+- Ge
+- Hf
+: 3.08
+? !!python/tuple
+- Ge
+- Hg
+: 3.23
+? !!python/tuple
+- Ge
+- Ho
+: 2.98
+? !!python/tuple
+- Ge
+- I
+: 2.93
+? !!python/tuple
+- Ge
+- In
+: 2.88
+? !!python/tuple
+- Ge
+- Ir
+: 2.85
+? !!python/tuple
+- Ge
+- La
+: 3.26
+? !!python/tuple
+- Ge
+- Lu
+: 3.21
+? !!python/tuple
+- Ge
+- Mo
+: 2.92
+? !!python/tuple
+- Ge
+- Nb
+: 3.01
+? !!python/tuple
+- Ge
+- Nd
+: 3.27
+? !!python/tuple
+- Ge
+- Np
+: 3.08
+? !!python/tuple
+- Ge
+- Pb
+: 3.0700000000000003
+? !!python/tuple
+- Ge
+- Pd
+: 3.0300000000000002
+? !!python/tuple
+- Ge
+- Pr
+: 3.1
+? !!python/tuple
+- Ge
+- Pt
+: 3.01
+? !!python/tuple
+- Ge
+- Pu
+: 3.06
+? !!python/tuple
+- Ge
+- Rb
+: 3.0
+? !!python/tuple
+- Ge
+- Re
+: 2.64
+? !!python/tuple
+- Ge
+- Rh
+: 2.98
+? !!python/tuple
+- Ge
+- Ru
+: 2.93
+? !!python/tuple
+- Ge
+- Sb
+: 2.99
+? !!python/tuple
+- Ge
+- Se
+: 2.75
+? !!python/tuple
+- Ge
+- Sm
+: 3.24
+? !!python/tuple
+- Ge
+- Sn
+: 2.99
+? !!python/tuple
+- Ge
+- Sr
+: 2.6500000000000004
+? !!python/tuple
+- Ge
+- Tb
+: 3.17
+? !!python/tuple
+- Ge
+- Te
+: 3.0
+? !!python/tuple
+- Ge
+- Th
+: 3.3200000000000003
+? !!python/tuple
+- Ge
+- Tm
+: 3.1900000000000004
+? !!python/tuple
+- Ge
+- U
+: 3.1100000000000003
+? !!python/tuple
+- Ge
+- W
+: 2.68
+? !!python/tuple
+- Ge
+- Y
+: 3.1900000000000004
+? !!python/tuple
+- Ge
+- Yb
+: 3.1500000000000004
+? !!python/tuple
+- Ge
+- Zr
+: 3.08
+? !!python/tuple
+- H
+- Ag
+: 1.94
+? !!python/tuple
+- H
+- Al
+: 1.9100000000000001
+? !!python/tuple
+- H
+- As
+: 1.77
+? !!python/tuple
+- H
+- Au
+: 2.06
+? !!python/tuple
+- H
+- B
+: 1.3900000000000001
+? !!python/tuple
+- H
+- Ba
+: 1.9
+? !!python/tuple
+- H
+- Be
+: 0.91
+? !!python/tuple
+- H
+- Bi
+: 2.1
+? !!python/tuple
+- H
+- Br
+: 1.77
+? !!python/tuple
+- H
+- C
+: 1.26
+? !!python/tuple
+- H
+- Ca
+: 1.5499999999999998
+? !!python/tuple
+- H
+- Cd
+: 1.94
+? !!python/tuple
+- H
+- Ce
+: 2.36
+? !!python/tuple
+- H
+- Cl
+: 1.5499999999999998
+? !!python/tuple
+- H
+- Co
+: 1.69
+? !!python/tuple
+- H
+- Cr
+: 1.9100000000000001
+? !!python/tuple
+- H
+- Cs
+: 2.23
+? !!python/tuple
+- H
+- Cu
+: 1.69
+? !!python/tuple
+- H
+- Dy
+: 2.17
+? !!python/tuple
+- H
+- Er
+: 2.18
+? !!python/tuple
+- H
+- Eu
+: 2.21
+? !!python/tuple
+- H
+- F
+: 1.2
+? !!python/tuple
+- H
+- Fe
+: 1.81
+? !!python/tuple
+- H
+- Ga
+: 1.7799999999999998
+? !!python/tuple
+- H
+- Gd
+: 2.17
+? !!python/tuple
+- H
+- Ge
+: 1.73
+? !!python/tuple
+- H
+- H
+: 0.76
+? !!python/tuple
+- H
+- Hf
+: 2.11
+? !!python/tuple
+- H
+- Hg
+: 2.26
+? !!python/tuple
+- H
+- Ho
+: 2.01
+? !!python/tuple
+- H
+- I
+: 1.96
+? !!python/tuple
+- H
+- In
+: 1.9100000000000001
+? !!python/tuple
+- H
+- Ir
+: 1.88
+? !!python/tuple
+- H
+- K
+: 1.8199999999999998
+? !!python/tuple
+- H
+- La
+: 2.29
+? !!python/tuple
+- H
+- Li
+: 1.24
+? !!python/tuple
+- H
+- Lu
+: 2.24
+? !!python/tuple
+- H
+- Mg
+: 1.6600000000000001
+? !!python/tuple
+- H
+- Mn
+: 1.9100000000000001
+? !!python/tuple
+- H
+- Mo
+: 1.9500000000000002
+? !!python/tuple
+- H
+- N
+: 1.24
+? !!python/tuple
+- H
+- Na
+: 1.5299999999999998
+? !!python/tuple
+- H
+- Nb
+: 2.04
+? !!python/tuple
+- H
+- Nd
+: 2.3
+? !!python/tuple
+- H
+- Ni
+: 1.71
+? !!python/tuple
+- H
+- Np
+: 2.11
+? !!python/tuple
+- H
+- O
+: 1.27
+? !!python/tuple
+- H
+- P
+: 1.6600000000000001
+? !!python/tuple
+- H
+- Pb
+: 2.1
+? !!python/tuple
+- H
+- Pd
+: 2.06
+? !!python/tuple
+- H
+- Pr
+: 2.13
+? !!python/tuple
+- H
+- Pt
+: 2.04
+? !!python/tuple
+- H
+- Pu
+: 2.09
+? !!python/tuple
+- H
+- Rb
+: 2.03
+? !!python/tuple
+- H
+- Re
+: 1.67
+? !!python/tuple
+- H
+- Rh
+: 2.01
+? !!python/tuple
+- H
+- Ru
+: 1.96
+? !!python/tuple
+- H
+- S
+: 1.58
+? !!python/tuple
+- H
+- Sb
+: 2.02
+? !!python/tuple
+- H
+- Sc
+: 2.0
+? !!python/tuple
+- H
+- Se
+: 1.7799999999999998
+? !!python/tuple
+- H
+- Si
+: 1.7599999999999998
+? !!python/tuple
+- H
+- Sm
+: 2.27
+? !!python/tuple
+- H
+- Sn
+: 2.02
+? !!python/tuple
+- H
+- Sr
+: 1.6800000000000002
+? !!python/tuple
+- H
+- Tb
+: 2.2
+? !!python/tuple
+- H
+- Te
+: 2.03
+? !!python/tuple
+- H
+- Th
+: 2.35
+? !!python/tuple
+- H
+- Ti
+: 2.03
+? !!python/tuple
+- H
+- Tm
+: 2.22
+? !!python/tuple
+- H
+- U
+: 2.14
+? !!python/tuple
+- H
+- V
+: 1.8900000000000001
+? !!python/tuple
+- H
+- W
+: 1.71
+? !!python/tuple
+- H
+- Y
+: 2.22
+? !!python/tuple
+- H
+- Yb
+: 2.18
+? !!python/tuple
+- H
+- Zn
+: 1.79
+? !!python/tuple
+- H
+- Zr
+: 2.11
+? !!python/tuple
+- Hf
+- Au
+: 3.41
+? !!python/tuple
+- Hf
+- Bi
+: 3.45
+? !!python/tuple
+- Hf
+- Hf
+: 3.46
+? !!python/tuple
+- Hf
+- Hg
+: 3.61
+? !!python/tuple
+- Hf
+- Ir
+: 3.23
+? !!python/tuple
+- Hf
+- Np
+: 3.46
+? !!python/tuple
+- Hf
+- Pb
+: 3.45
+? !!python/tuple
+- Hf
+- Pt
+: 3.3899999999999997
+? !!python/tuple
+- Hf
+- Pu
+: 3.44
+? !!python/tuple
+- Hf
+- Re
+: 3.02
+? !!python/tuple
+- Hf
+- Th
+: 3.7
+? !!python/tuple
+- Hf
+- U
+: 3.49
+? !!python/tuple
+- Hf
+- W
+: 3.06
+? !!python/tuple
+- Hg
+- Bi
+: 3.5999999999999996
+? !!python/tuple
+- Hg
+- Hg
+: 3.76
+? !!python/tuple
+- Hg
+- Np
+: 3.61
+? !!python/tuple
+- Hg
+- Pb
+: 3.5999999999999996
+? !!python/tuple
+- Hg
+- Pu
+: 3.59
+? !!python/tuple
+- Hg
+- Th
+: 3.8499999999999996
+? !!python/tuple
+- Hg
+- U
+: 3.6399999999999997
+? !!python/tuple
+- Ho
+- Au
+: 3.3099999999999996
+? !!python/tuple
+- Ho
+- Bi
+: 3.3499999999999996
+? !!python/tuple
+- Ho
+- Er
+: 3.4299999999999997
+? !!python/tuple
+- Ho
+- Hf
+: 3.36
+? !!python/tuple
+- Ho
+- Hg
+: 3.51
+? !!python/tuple
+- Ho
+- Ho
+: 3.26
+? !!python/tuple
+- Ho
+- Ir
+: 3.13
+? !!python/tuple
+- Ho
+- Lu
+: 3.49
+? !!python/tuple
+- Ho
+- Np
+: 3.36
+? !!python/tuple
+- Ho
+- Pb
+: 3.3499999999999996
+? !!python/tuple
+- Ho
+- Pt
+: 3.29
+? !!python/tuple
+- Ho
+- Pu
+: 3.34
+? !!python/tuple
+- Ho
+- Re
+: 2.92
+? !!python/tuple
+- Ho
+- Th
+: 3.5999999999999996
+? !!python/tuple
+- Ho
+- Tm
+: 3.4699999999999998
+? !!python/tuple
+- Ho
+- U
+: 3.3899999999999997
+? !!python/tuple
+- Ho
+- W
+: 2.96
+? !!python/tuple
+- Ho
+- Yb
+: 3.4299999999999997
+? !!python/tuple
+- I
+- Au
+: 3.26
+? !!python/tuple
+- I
+- Ba
+: 3.1
+? !!python/tuple
+- I
+- Bi
+: 3.3
+? !!python/tuple
+- I
+- Ce
+: 3.56
+? !!python/tuple
+- I
+- Cs
+: 3.43
+? !!python/tuple
+- I
+- Dy
+: 3.37
+? !!python/tuple
+- I
+- Er
+: 3.38
+? !!python/tuple
+- I
+- Eu
+: 3.41
+? !!python/tuple
+- I
+- Gd
+: 3.37
+? !!python/tuple
+- I
+- Hf
+: 3.31
+? !!python/tuple
+- I
+- Hg
+: 3.46
+? !!python/tuple
+- I
+- Ho
+: 3.21
+? !!python/tuple
+- I
+- I
+: 3.16
+? !!python/tuple
+- I
+- Ir
+: 3.08
+? !!python/tuple
+- I
+- La
+: 3.49
+? !!python/tuple
+- I
+- Lu
+: 3.4400000000000004
+? !!python/tuple
+- I
+- Nd
+: 3.5
+? !!python/tuple
+- I
+- Np
+: 3.31
+? !!python/tuple
+- I
+- Pb
+: 3.3
+? !!python/tuple
+- I
+- Pr
+: 3.33
+? !!python/tuple
+- I
+- Pt
+: 3.24
+? !!python/tuple
+- I
+- Pu
+: 3.29
+? !!python/tuple
+- I
+- Re
+: 2.87
+? !!python/tuple
+- I
+- Sm
+: 3.4699999999999998
+? !!python/tuple
+- I
+- Tb
+: 3.4000000000000004
+? !!python/tuple
+- I
+- Th
+: 3.55
+? !!python/tuple
+- I
+- Tm
+: 3.42
+? !!python/tuple
+- I
+- U
+: 3.34
+? !!python/tuple
+- I
+- W
+: 2.91
+? !!python/tuple
+- I
+- Yb
+: 3.38
+? !!python/tuple
+- In
+- Au
+: 3.21
+? !!python/tuple
+- In
+- Ba
+: 3.05
+? !!python/tuple
+- In
+- Bi
+: 3.25
+? !!python/tuple
+- In
+- Ce
+: 3.51
+? !!python/tuple
+- In
+- Cs
+: 3.38
+? !!python/tuple
+- In
+- Dy
+: 3.3200000000000003
+? !!python/tuple
+- In
+- Er
+: 3.33
+? !!python/tuple
+- In
+- Eu
+: 3.3600000000000003
+? !!python/tuple
+- In
+- Gd
+: 3.3200000000000003
+? !!python/tuple
+- In
+- Hf
+: 3.26
+? !!python/tuple
+- In
+- Hg
+: 3.41
+? !!python/tuple
+- In
+- Ho
+: 3.16
+? !!python/tuple
+- In
+- I
+: 3.1100000000000003
+? !!python/tuple
+- In
+- In
+: 3.06
+? !!python/tuple
+- In
+- Ir
+: 3.0300000000000002
+? !!python/tuple
+- In
+- La
+: 3.44
+? !!python/tuple
+- In
+- Lu
+: 3.39
+? !!python/tuple
+- In
+- Nd
+: 3.45
+? !!python/tuple
+- In
+- Np
+: 3.26
+? !!python/tuple
+- In
+- Pb
+: 3.25
+? !!python/tuple
+- In
+- Pr
+: 3.2800000000000002
+? !!python/tuple
+- In
+- Pt
+: 3.19
+? !!python/tuple
+- In
+- Pu
+: 3.24
+? !!python/tuple
+- In
+- Re
+: 2.8200000000000003
+? !!python/tuple
+- In
+- Sb
+: 3.17
+? !!python/tuple
+- In
+- Sm
+: 3.42
+? !!python/tuple
+- In
+- Sn
+: 3.17
+? !!python/tuple
+- In
+- Tb
+: 3.35
+? !!python/tuple
+- In
+- Te
+: 3.1799999999999997
+? !!python/tuple
+- In
+- Th
+: 3.5
+? !!python/tuple
+- In
+- Tm
+: 3.37
+? !!python/tuple
+- In
+- U
+: 3.29
+? !!python/tuple
+- In
+- W
+: 2.8600000000000003
+? !!python/tuple
+- In
+- Yb
+: 3.33
+? !!python/tuple
+- Ir
+- Au
+: 3.1799999999999997
+? !!python/tuple
+- Ir
+- Bi
+: 3.2199999999999998
+? !!python/tuple
+- Ir
+- Hg
+: 3.38
+? !!python/tuple
+- Ir
+- Ir
+: 3.0
+? !!python/tuple
+- Ir
+- Np
+: 3.23
+? !!python/tuple
+- Ir
+- Pb
+: 3.2199999999999998
+? !!python/tuple
+- Ir
+- Pt
+: 3.16
+? !!python/tuple
+- Ir
+- Pu
+: 3.21
+? !!python/tuple
+- Ir
+- Th
+: 3.4699999999999998
+? !!python/tuple
+- Ir
+- U
+: 3.26
+? !!python/tuple
+- K
+- Ag
+: 3.0
+? !!python/tuple
+- K
+- As
+: 2.83
+? !!python/tuple
+- K
+- Au
+: 3.12
+? !!python/tuple
+- K
+- Ba
+: 2.96
+? !!python/tuple
+- K
+- Bi
+: 3.16
+? !!python/tuple
+- K
+- Br
+: 2.83
+? !!python/tuple
+- K
+- Ca
+: 2.61
+? !!python/tuple
+- K
+- Cd
+: 3.0
+? !!python/tuple
+- K
+- Ce
+: 3.42
+? !!python/tuple
+- K
+- Co
+: 2.75
+? !!python/tuple
+- K
+- Cr
+: 2.9699999999999998
+? !!python/tuple
+- K
+- Cs
+: 3.29
+? !!python/tuple
+- K
+- Cu
+: 2.75
+? !!python/tuple
+- K
+- Dy
+: 3.23
+? !!python/tuple
+- K
+- Er
+: 3.24
+? !!python/tuple
+- K
+- Eu
+: 3.27
+? !!python/tuple
+- K
+- Fe
+: 2.87
+? !!python/tuple
+- K
+- Ga
+: 2.84
+? !!python/tuple
+- K
+- Gd
+: 3.23
+? !!python/tuple
+- K
+- Ge
+: 2.79
+? !!python/tuple
+- K
+- Hf
+: 3.17
+? !!python/tuple
+- K
+- Hg
+: 3.32
+? !!python/tuple
+- K
+- Ho
+: 3.07
+? !!python/tuple
+- K
+- I
+: 3.02
+? !!python/tuple
+- K
+- In
+: 2.9699999999999998
+? !!python/tuple
+- K
+- Ir
+: 2.94
+? !!python/tuple
+- K
+- K
+: 2.88
+? !!python/tuple
+- K
+- La
+: 3.3499999999999996
+? !!python/tuple
+- K
+- Lu
+: 3.3
+? !!python/tuple
+- K
+- Mn
+: 2.9699999999999998
+? !!python/tuple
+- K
+- Mo
+: 3.01
+? !!python/tuple
+- K
+- Nb
+: 3.0999999999999996
+? !!python/tuple
+- K
+- Nd
+: 3.36
+? !!python/tuple
+- K
+- Ni
+: 2.77
+? !!python/tuple
+- K
+- Np
+: 3.17
+? !!python/tuple
+- K
+- Pb
+: 3.16
+? !!python/tuple
+- K
+- Pd
+: 3.12
+? !!python/tuple
+- K
+- Pr
+: 3.19
+? !!python/tuple
+- K
+- Pt
+: 3.0999999999999996
+? !!python/tuple
+- K
+- Pu
+: 3.15
+? !!python/tuple
+- K
+- Rb
+: 3.09
+? !!python/tuple
+- K
+- Re
+: 2.73
+? !!python/tuple
+- K
+- Rh
+: 3.07
+? !!python/tuple
+- K
+- Ru
+: 3.02
+? !!python/tuple
+- K
+- Sb
+: 3.08
+? !!python/tuple
+- K
+- Sc
+: 3.06
+? !!python/tuple
+- K
+- Se
+: 2.84
+? !!python/tuple
+- K
+- Sm
+: 3.33
+? !!python/tuple
+- K
+- Sn
+: 3.08
+? !!python/tuple
+- K
+- Sr
+: 2.74
+? !!python/tuple
+- K
+- Tb
+: 3.26
+? !!python/tuple
+- K
+- Te
+: 3.09
+? !!python/tuple
+- K
+- Th
+: 3.41
+? !!python/tuple
+- K
+- Ti
+: 3.09
+? !!python/tuple
+- K
+- Tm
+: 3.2800000000000002
+? !!python/tuple
+- K
+- U
+: 3.2
+? !!python/tuple
+- K
+- V
+: 2.95
+? !!python/tuple
+- K
+- W
+: 2.77
+? !!python/tuple
+- K
+- Y
+: 3.2800000000000002
+? !!python/tuple
+- K
+- Yb
+: 3.24
+? !!python/tuple
+- K
+- Zn
+: 2.8499999999999996
+? !!python/tuple
+- K
+- Zr
+: 3.17
+? !!python/tuple
+- La
+- Au
+: 3.59
+? !!python/tuple
+- La
+- Bi
+: 3.63
+? !!python/tuple
+- La
+- Ce
+: 3.8899999999999997
+? !!python/tuple
+- La
+- Dy
+: 3.7
+? !!python/tuple
+- La
+- Er
+: 3.71
+? !!python/tuple
+- La
+- Eu
+: 3.74
+? !!python/tuple
+- La
+- Gd
+: 3.7
+? !!python/tuple
+- La
+- Hf
+: 3.6399999999999997
+? !!python/tuple
+- La
+- Hg
+: 3.79
+? !!python/tuple
+- La
+- Ho
+: 3.54
+? !!python/tuple
+- La
+- Ir
+: 3.41
+? !!python/tuple
+- La
+- La
+: 3.82
+? !!python/tuple
+- La
+- Lu
+: 3.77
+? !!python/tuple
+- La
+- Nd
+: 3.83
+? !!python/tuple
+- La
+- Np
+: 3.6399999999999997
+? !!python/tuple
+- La
+- Pb
+: 3.63
+? !!python/tuple
+- La
+- Pr
+: 3.66
+? !!python/tuple
+- La
+- Pt
+: 3.57
+? !!python/tuple
+- La
+- Pu
+: 3.62
+? !!python/tuple
+- La
+- Re
+: 3.2
+? !!python/tuple
+- La
+- Sm
+: 3.8
+? !!python/tuple
+- La
+- Tb
+: 3.73
+? !!python/tuple
+- La
+- Th
+: 3.88
+? !!python/tuple
+- La
+- Tm
+: 3.75
+? !!python/tuple
+- La
+- U
+: 3.67
+? !!python/tuple
+- La
+- W
+: 3.24
+? !!python/tuple
+- La
+- Yb
+: 3.71
+? !!python/tuple
+- Li
+- Ag
+: 2.42
+? !!python/tuple
+- Li
+- Al
+: 2.39
+? !!python/tuple
+- Li
+- As
+: 2.25
+? !!python/tuple
+- Li
+- Au
+: 2.54
+? !!python/tuple
+- Li
+- B
+: 1.87
+? !!python/tuple
+- Li
+- Ba
+: 2.38
+? !!python/tuple
+- Li
+- Be
+: 1.3900000000000001
+? !!python/tuple
+- Li
+- Bi
+: 2.58
+? !!python/tuple
+- Li
+- Br
+: 2.25
+? !!python/tuple
+- Li
+- C
+: 1.74
+? !!python/tuple
+- Li
+- Ca
+: 2.03
+? !!python/tuple
+- Li
+- Cd
+: 2.42
+? !!python/tuple
+- Li
+- Ce
+: 2.84
+? !!python/tuple
+- Li
+- Cl
+: 2.03
+? !!python/tuple
+- Li
+- Co
+: 2.17
+? !!python/tuple
+- Li
+- Cr
+: 2.39
+? !!python/tuple
+- Li
+- Cs
+: 2.71
+? !!python/tuple
+- Li
+- Cu
+: 2.17
+? !!python/tuple
+- Li
+- Dy
+: 2.65
+? !!python/tuple
+- Li
+- Er
+: 2.66
+? !!python/tuple
+- Li
+- Eu
+: 2.69
+? !!python/tuple
+- Li
+- F
+: 1.68
+? !!python/tuple
+- Li
+- Fe
+: 2.29
+? !!python/tuple
+- Li
+- Ga
+: 2.26
+? !!python/tuple
+- Li
+- Gd
+: 2.65
+? !!python/tuple
+- Li
+- Ge
+: 2.21
+? !!python/tuple
+- Li
+- Hf
+: 2.59
+? !!python/tuple
+- Li
+- Hg
+: 2.7399999999999998
+? !!python/tuple
+- Li
+- Ho
+: 2.4899999999999998
+? !!python/tuple
+- Li
+- I
+: 2.44
+? !!python/tuple
+- Li
+- In
+: 2.39
+? !!python/tuple
+- Li
+- Ir
+: 2.36
+? !!python/tuple
+- Li
+- K
+: 2.3
+? !!python/tuple
+- Li
+- La
+: 2.77
+? !!python/tuple
+- Li
+- Li
+: 1.72
+? !!python/tuple
+- Li
+- Lu
+: 2.72
+? !!python/tuple
+- Li
+- Mg
+: 2.14
+? !!python/tuple
+- Li
+- Mn
+: 2.39
+? !!python/tuple
+- Li
+- Mo
+: 2.43
+? !!python/tuple
+- Li
+- N
+: 1.72
+? !!python/tuple
+- Li
+- Na
+: 2.01
+? !!python/tuple
+- Li
+- Nb
+: 2.52
+? !!python/tuple
+- Li
+- Nd
+: 2.78
+? !!python/tuple
+- Li
+- Ni
+: 2.19
+? !!python/tuple
+- Li
+- Np
+: 2.59
+? !!python/tuple
+- Li
+- O
+: 1.75
+? !!python/tuple
+- Li
+- P
+: 2.14
+? !!python/tuple
+- Li
+- Pb
+: 2.58
+? !!python/tuple
+- Li
+- Pd
+: 2.54
+? !!python/tuple
+- Li
+- Pr
+: 2.61
+? !!python/tuple
+- Li
+- Pt
+: 2.52
+? !!python/tuple
+- Li
+- Pu
+: 2.57
+? !!python/tuple
+- Li
+- Rb
+: 2.51
+? !!python/tuple
+- Li
+- Re
+: 2.15
+? !!python/tuple
+- Li
+- Rh
+: 2.4899999999999998
+? !!python/tuple
+- Li
+- Ru
+: 2.44
+? !!python/tuple
+- Li
+- S
+: 2.06
+? !!python/tuple
+- Li
+- Sb
+: 2.5
+? !!python/tuple
+- Li
+- Sc
+: 2.48
+? !!python/tuple
+- Li
+- Se
+: 2.26
+? !!python/tuple
+- Li
+- Si
+: 2.2399999999999998
+? !!python/tuple
+- Li
+- Sm
+: 2.75
+? !!python/tuple
+- Li
+- Sn
+: 2.5
+? !!python/tuple
+- Li
+- Sr
+: 2.16
+? !!python/tuple
+- Li
+- Tb
+: 2.68
+? !!python/tuple
+- Li
+- Te
+: 2.51
+? !!python/tuple
+- Li
+- Th
+: 2.83
+? !!python/tuple
+- Li
+- Ti
+: 2.51
+? !!python/tuple
+- Li
+- Tm
+: 2.7
+? !!python/tuple
+- Li
+- U
+: 2.62
+? !!python/tuple
+- Li
+- V
+: 2.37
+? !!python/tuple
+- Li
+- W
+: 2.19
+? !!python/tuple
+- Li
+- Y
+: 2.7
+? !!python/tuple
+- Li
+- Yb
+: 2.66
+? !!python/tuple
+- Li
+- Zn
+: 2.27
+? !!python/tuple
+- Li
+- Zr
+: 2.59
+? !!python/tuple
+- Lu
+- Au
+: 3.54
+? !!python/tuple
+- Lu
+- Bi
+: 3.58
+? !!python/tuple
+- Lu
+- Hf
+: 3.59
+? !!python/tuple
+- Lu
+- Hg
+: 3.74
+? !!python/tuple
+- Lu
+- Ir
+: 3.3600000000000003
+? !!python/tuple
+- Lu
+- Lu
+: 3.72
+? !!python/tuple
+- Lu
+- Np
+: 3.59
+? !!python/tuple
+- Lu
+- Pb
+: 3.58
+? !!python/tuple
+- Lu
+- Pt
+: 3.52
+? !!python/tuple
+- Lu
+- Pu
+: 3.5700000000000003
+? !!python/tuple
+- Lu
+- Re
+: 3.1500000000000004
+? !!python/tuple
+- Lu
+- Th
+: 3.83
+? !!python/tuple
+- Lu
+- U
+: 3.62
+? !!python/tuple
+- Lu
+- W
+: 3.1900000000000004
+? !!python/tuple
+- Mg
+- Ag
+: 2.84
+? !!python/tuple
+- Mg
+- Al
+: 2.81
+? !!python/tuple
+- Mg
+- As
+: 2.67
+? !!python/tuple
+- Mg
+- Au
+: 2.96
+? !!python/tuple
+- Mg
+- Ba
+: 2.8
+? !!python/tuple
+- Mg
+- Bi
+: 3.0
+? !!python/tuple
+- Mg
+- Br
+: 2.67
+? !!python/tuple
+- Mg
+- Ca
+: 2.45
+? !!python/tuple
+- Mg
+- Cd
+: 2.84
+? !!python/tuple
+- Mg
+- Ce
+: 3.26
+? !!python/tuple
+- Mg
+- Cl
+: 2.45
+? !!python/tuple
+- Mg
+- Co
+: 2.59
+? !!python/tuple
+- Mg
+- Cr
+: 2.81
+? !!python/tuple
+- Mg
+- Cs
+: 3.13
+? !!python/tuple
+- Mg
+- Cu
+: 2.59
+? !!python/tuple
+- Mg
+- Dy
+: 3.0700000000000003
+? !!python/tuple
+- Mg
+- Er
+: 3.08
+? !!python/tuple
+- Mg
+- Eu
+: 3.1100000000000003
+? !!python/tuple
+- Mg
+- Fe
+: 2.71
+? !!python/tuple
+- Mg
+- Ga
+: 2.6799999999999997
+? !!python/tuple
+- Mg
+- Gd
+: 3.0700000000000003
+? !!python/tuple
+- Mg
+- Ge
+: 2.63
+? !!python/tuple
+- Mg
+- Hf
+: 3.01
+? !!python/tuple
+- Mg
+- Hg
+: 3.16
+? !!python/tuple
+- Mg
+- Ho
+: 2.91
+? !!python/tuple
+- Mg
+- I
+: 2.8600000000000003
+? !!python/tuple
+- Mg
+- In
+: 2.81
+? !!python/tuple
+- Mg
+- Ir
+: 2.7800000000000002
+? !!python/tuple
+- Mg
+- K
+: 2.7199999999999998
+? !!python/tuple
+- Mg
+- La
+: 3.19
+? !!python/tuple
+- Mg
+- Lu
+: 3.14
+? !!python/tuple
+- Mg
+- Mg
+: 2.56
+? !!python/tuple
+- Mg
+- Mn
+: 2.81
+? !!python/tuple
+- Mg
+- Mo
+: 2.85
+? !!python/tuple
+- Mg
+- Nb
+: 2.94
+? !!python/tuple
+- Mg
+- Nd
+: 3.2
+? !!python/tuple
+- Mg
+- Ni
+: 2.6100000000000003
+? !!python/tuple
+- Mg
+- Np
+: 3.01
+? !!python/tuple
+- Mg
+- P
+: 2.56
+? !!python/tuple
+- Mg
+- Pb
+: 3.0
+? !!python/tuple
+- Mg
+- Pd
+: 2.96
+? !!python/tuple
+- Mg
+- Pr
+: 3.0300000000000002
+? !!python/tuple
+- Mg
+- Pt
+: 2.94
+? !!python/tuple
+- Mg
+- Pu
+: 2.99
+? !!python/tuple
+- Mg
+- Rb
+: 2.9299999999999997
+? !!python/tuple
+- Mg
+- Re
+: 2.5700000000000003
+? !!python/tuple
+- Mg
+- Rh
+: 2.91
+? !!python/tuple
+- Mg
+- Ru
+: 2.8600000000000003
+? !!python/tuple
+- Mg
+- S
+: 2.48
+? !!python/tuple
+- Mg
+- Sb
+: 2.92
+? !!python/tuple
+- Mg
+- Sc
+: 2.9000000000000004
+? !!python/tuple
+- Mg
+- Se
+: 2.6799999999999997
+? !!python/tuple
+- Mg
+- Si
+: 2.66
+? !!python/tuple
+- Mg
+- Sm
+: 3.17
+? !!python/tuple
+- Mg
+- Sn
+: 2.92
+? !!python/tuple
+- Mg
+- Sr
+: 2.58
+? !!python/tuple
+- Mg
+- Tb
+: 3.1
+? !!python/tuple
+- Mg
+- Te
+: 2.9299999999999997
+? !!python/tuple
+- Mg
+- Th
+: 3.25
+? !!python/tuple
+- Mg
+- Ti
+: 2.9299999999999997
+? !!python/tuple
+- Mg
+- Tm
+: 3.12
+? !!python/tuple
+- Mg
+- U
+: 3.04
+? !!python/tuple
+- Mg
+- V
+: 2.79
+? !!python/tuple
+- Mg
+- W
+: 2.6100000000000003
+? !!python/tuple
+- Mg
+- Y
+: 3.12
+? !!python/tuple
+- Mg
+- Yb
+: 3.08
+? !!python/tuple
+- Mg
+- Zn
+: 2.69
+? !!python/tuple
+- Mg
+- Zr
+: 3.01
+? !!python/tuple
+- Mn
+- Ag
+: 3.09
+? !!python/tuple
+- Mn
+- As
+: 2.92
+? !!python/tuple
+- Mn
+- Au
+: 3.21
+? !!python/tuple
+- Mn
+- Ba
+: 3.05
+? !!python/tuple
+- Mn
+- Bi
+: 3.25
+? !!python/tuple
+- Mn
+- Br
+: 2.92
+? !!python/tuple
+- Mn
+- Cd
+: 3.09
+? !!python/tuple
+- Mn
+- Ce
+: 3.51
+? !!python/tuple
+- Mn
+- Co
+: 2.84
+? !!python/tuple
+- Mn
+- Cs
+: 3.38
+? !!python/tuple
+- Mn
+- Cu
+: 2.84
+? !!python/tuple
+- Mn
+- Dy
+: 3.3200000000000003
+? !!python/tuple
+- Mn
+- Er
+: 3.33
+? !!python/tuple
+- Mn
+- Eu
+: 3.3600000000000003
+? !!python/tuple
+- Mn
+- Fe
+: 2.96
+? !!python/tuple
+- Mn
+- Ga
+: 2.9299999999999997
+? !!python/tuple
+- Mn
+- Gd
+: 3.3200000000000003
+? !!python/tuple
+- Mn
+- Ge
+: 2.88
+? !!python/tuple
+- Mn
+- Hf
+: 3.26
+? !!python/tuple
+- Mn
+- Hg
+: 3.41
+? !!python/tuple
+- Mn
+- Ho
+: 3.16
+? !!python/tuple
+- Mn
+- I
+: 3.1100000000000003
+? !!python/tuple
+- Mn
+- In
+: 3.06
+? !!python/tuple
+- Mn
+- Ir
+: 3.0300000000000002
+? !!python/tuple
+- Mn
+- La
+: 3.44
+? !!python/tuple
+- Mn
+- Lu
+: 3.39
+? !!python/tuple
+- Mn
+- Mn
+: 3.06
+? !!python/tuple
+- Mn
+- Mo
+: 3.1
+? !!python/tuple
+- Mn
+- Nb
+: 3.19
+? !!python/tuple
+- Mn
+- Nd
+: 3.45
+? !!python/tuple
+- Mn
+- Ni
+: 2.8600000000000003
+? !!python/tuple
+- Mn
+- Np
+: 3.26
+? !!python/tuple
+- Mn
+- Pb
+: 3.25
+? !!python/tuple
+- Mn
+- Pd
+: 3.21
+? !!python/tuple
+- Mn
+- Pr
+: 3.2800000000000002
+? !!python/tuple
+- Mn
+- Pt
+: 3.19
+? !!python/tuple
+- Mn
+- Pu
+: 3.24
+? !!python/tuple
+- Mn
+- Rb
+: 3.1799999999999997
+? !!python/tuple
+- Mn
+- Re
+: 2.8200000000000003
+? !!python/tuple
+- Mn
+- Rh
+: 3.16
+? !!python/tuple
+- Mn
+- Ru
+: 3.1100000000000003
+? !!python/tuple
+- Mn
+- Sb
+: 3.17
+? !!python/tuple
+- Mn
+- Se
+: 2.9299999999999997
+? !!python/tuple
+- Mn
+- Sm
+: 3.42
+? !!python/tuple
+- Mn
+- Sn
+: 3.17
+? !!python/tuple
+- Mn
+- Sr
+: 2.83
+? !!python/tuple
+- Mn
+- Tb
+: 3.35
+? !!python/tuple
+- Mn
+- Te
+: 3.1799999999999997
+? !!python/tuple
+- Mn
+- Th
+: 3.5
+? !!python/tuple
+- Mn
+- Tm
+: 3.37
+? !!python/tuple
+- Mn
+- U
+: 3.29
+? !!python/tuple
+- Mn
+- W
+: 2.8600000000000003
+? !!python/tuple
+- Mn
+- Y
+: 3.37
+? !!python/tuple
+- Mn
+- Yb
+: 3.33
+? !!python/tuple
+- Mn
+- Zn
+: 2.94
+? !!python/tuple
+- Mn
+- Zr
+: 3.26
+? !!python/tuple
+- Mo
+- Ag
+: 3.13
+? !!python/tuple
+- Mo
+- Au
+: 3.25
+? !!python/tuple
+- Mo
+- Ba
+: 3.09
+? !!python/tuple
+- Mo
+- Bi
+: 3.29
+? !!python/tuple
+- Mo
+- Cd
+: 3.13
+? !!python/tuple
+- Mo
+- Ce
+: 3.55
+? !!python/tuple
+- Mo
+- Cs
+: 3.42
+? !!python/tuple
+- Mo
+- Dy
+: 3.3600000000000003
+? !!python/tuple
+- Mo
+- Er
+: 3.37
+? !!python/tuple
+- Mo
+- Eu
+: 3.4000000000000004
+? !!python/tuple
+- Mo
+- Gd
+: 3.3600000000000003
+? !!python/tuple
+- Mo
+- Hf
+: 3.3
+? !!python/tuple
+- Mo
+- Hg
+: 3.45
+? !!python/tuple
+- Mo
+- Ho
+: 3.2
+? !!python/tuple
+- Mo
+- I
+: 3.1500000000000004
+? !!python/tuple
+- Mo
+- In
+: 3.1
+? !!python/tuple
+- Mo
+- Ir
+: 3.0700000000000003
+? !!python/tuple
+- Mo
+- La
+: 3.48
+? !!python/tuple
+- Mo
+- Lu
+: 3.43
+? !!python/tuple
+- Mo
+- Mo
+: 3.14
+? !!python/tuple
+- Mo
+- Nd
+: 3.49
+? !!python/tuple
+- Mo
+- Np
+: 3.3
+? !!python/tuple
+- Mo
+- Pb
+: 3.29
+? !!python/tuple
+- Mo
+- Pd
+: 3.25
+? !!python/tuple
+- Mo
+- Pr
+: 3.3200000000000003
+? !!python/tuple
+- Mo
+- Pt
+: 3.23
+? !!python/tuple
+- Mo
+- Pu
+: 3.2800000000000002
+? !!python/tuple
+- Mo
+- Re
+: 2.8600000000000003
+? !!python/tuple
+- Mo
+- Rh
+: 3.2
+? !!python/tuple
+- Mo
+- Ru
+: 3.1500000000000004
+? !!python/tuple
+- Mo
+- Sb
+: 3.21
+? !!python/tuple
+- Mo
+- Sm
+: 3.46
+? !!python/tuple
+- Mo
+- Sn
+: 3.21
+? !!python/tuple
+- Mo
+- Tb
+: 3.39
+? !!python/tuple
+- Mo
+- Te
+: 3.2199999999999998
+? !!python/tuple
+- Mo
+- Th
+: 3.54
+? !!python/tuple
+- Mo
+- Tm
+: 3.41
+? !!python/tuple
+- Mo
+- U
+: 3.33
+? !!python/tuple
+- Mo
+- W
+: 2.9000000000000004
+? !!python/tuple
+- Mo
+- Yb
+: 3.37
+? !!python/tuple
+- N
+- Ag
+: 2.42
+? !!python/tuple
+- N
+- Al
+: 2.39
+? !!python/tuple
+- N
+- As
+: 2.25
+? !!python/tuple
+- N
+- Au
+: 2.54
+? !!python/tuple
+- N
+- Ba
+: 2.38
+? !!python/tuple
+- N
+- Bi
+: 2.58
+? !!python/tuple
+- N
+- Br
+: 2.25
+? !!python/tuple
+- N
+- Ca
+: 2.03
+? !!python/tuple
+- N
+- Cd
+: 2.42
+? !!python/tuple
+- N
+- Ce
+: 2.84
+? !!python/tuple
+- N
+- Cl
+: 2.03
+? !!python/tuple
+- N
+- Co
+: 2.17
+? !!python/tuple
+- N
+- Cr
+: 2.39
+? !!python/tuple
+- N
+- Cs
+: 2.71
+? !!python/tuple
+- N
+- Cu
+: 2.17
+? !!python/tuple
+- N
+- Dy
+: 2.65
+? !!python/tuple
+- N
+- Er
+: 2.66
+? !!python/tuple
+- N
+- Eu
+: 2.69
+? !!python/tuple
+- N
+- F
+: 1.68
+? !!python/tuple
+- N
+- Fe
+: 2.29
+? !!python/tuple
+- N
+- Ga
+: 2.26
+? !!python/tuple
+- N
+- Gd
+: 2.65
+? !!python/tuple
+- N
+- Ge
+: 2.21
+? !!python/tuple
+- N
+- Hf
+: 2.59
+? !!python/tuple
+- N
+- Hg
+: 2.7399999999999998
+? !!python/tuple
+- N
+- Ho
+: 2.4899999999999998
+? !!python/tuple
+- N
+- I
+: 2.44
+? !!python/tuple
+- N
+- In
+: 2.39
+? !!python/tuple
+- N
+- Ir
+: 2.36
+? !!python/tuple
+- N
+- K
+: 2.3
+? !!python/tuple
+- N
+- La
+: 2.77
+? !!python/tuple
+- N
+- Lu
+: 2.72
+? !!python/tuple
+- N
+- Mg
+: 2.14
+? !!python/tuple
+- N
+- Mn
+: 2.39
+? !!python/tuple
+- N
+- Mo
+: 2.43
+? !!python/tuple
+- N
+- N
+: 1.72
+? !!python/tuple
+- N
+- Na
+: 2.01
+? !!python/tuple
+- N
+- Nb
+: 2.52
+? !!python/tuple
+- N
+- Nd
+: 2.78
+? !!python/tuple
+- N
+- Ni
+: 2.19
+? !!python/tuple
+- N
+- Np
+: 2.59
+? !!python/tuple
+- N
+- O
+: 1.75
+? !!python/tuple
+- N
+- P
+: 2.14
+? !!python/tuple
+- N
+- Pb
+: 2.58
+? !!python/tuple
+- N
+- Pd
+: 2.54
+? !!python/tuple
+- N
+- Pr
+: 2.61
+? !!python/tuple
+- N
+- Pt
+: 2.52
+? !!python/tuple
+- N
+- Pu
+: 2.57
+? !!python/tuple
+- N
+- Rb
+: 2.51
+? !!python/tuple
+- N
+- Re
+: 2.15
+? !!python/tuple
+- N
+- Rh
+: 2.4899999999999998
+? !!python/tuple
+- N
+- Ru
+: 2.44
+? !!python/tuple
+- N
+- S
+: 2.06
+? !!python/tuple
+- N
+- Sb
+: 2.5
+? !!python/tuple
+- N
+- Sc
+: 2.48
+? !!python/tuple
+- N
+- Se
+: 2.26
+? !!python/tuple
+- N
+- Si
+: 2.2399999999999998
+? !!python/tuple
+- N
+- Sm
+: 2.75
+? !!python/tuple
+- N
+- Sn
+: 2.5
+? !!python/tuple
+- N
+- Sr
+: 2.16
+? !!python/tuple
+- N
+- Tb
+: 2.68
+? !!python/tuple
+- N
+- Te
+: 2.51
+? !!python/tuple
+- N
+- Th
+: 2.83
+? !!python/tuple
+- N
+- Ti
+: 2.51
+? !!python/tuple
+- N
+- Tm
+: 2.7
+? !!python/tuple
+- N
+- U
+: 2.62
+? !!python/tuple
+- N
+- V
+: 2.37
+? !!python/tuple
+- N
+- W
+: 2.19
+? !!python/tuple
+- N
+- Y
+: 2.7
+? !!python/tuple
+- N
+- Yb
+: 2.66
+? !!python/tuple
+- N
+- Zn
+: 2.27
+? !!python/tuple
+- N
+- Zr
+: 2.59
+? !!python/tuple
+- Na
+- Ag
+: 2.71
+? !!python/tuple
+- Na
+- Al
+: 2.6799999999999997
+? !!python/tuple
+- Na
+- As
+: 2.54
+? !!python/tuple
+- Na
+- Au
+: 2.83
+? !!python/tuple
+- Na
+- Ba
+: 2.67
+? !!python/tuple
+- Na
+- Bi
+: 2.87
+? !!python/tuple
+- Na
+- Br
+: 2.54
+? !!python/tuple
+- Na
+- Ca
+: 2.32
+? !!python/tuple
+- Na
+- Cd
+: 2.71
+? !!python/tuple
+- Na
+- Ce
+: 3.13
+? !!python/tuple
+- Na
+- Cl
+: 2.32
+? !!python/tuple
+- Na
+- Co
+: 2.46
+? !!python/tuple
+- Na
+- Cr
+: 2.6799999999999997
+? !!python/tuple
+- Na
+- Cs
+: 3.0
+? !!python/tuple
+- Na
+- Cu
+: 2.46
+? !!python/tuple
+- Na
+- Dy
+: 2.94
+? !!python/tuple
+- Na
+- Er
+: 2.95
+? !!python/tuple
+- Na
+- Eu
+: 2.98
+? !!python/tuple
+- Na
+- Fe
+: 2.58
+? !!python/tuple
+- Na
+- Ga
+: 2.55
+? !!python/tuple
+- Na
+- Gd
+: 2.94
+? !!python/tuple
+- Na
+- Ge
+: 2.5
+? !!python/tuple
+- Na
+- Hf
+: 2.88
+? !!python/tuple
+- Na
+- Hg
+: 3.03
+? !!python/tuple
+- Na
+- Ho
+: 2.78
+? !!python/tuple
+- Na
+- I
+: 2.73
+? !!python/tuple
+- Na
+- In
+: 2.6799999999999997
+? !!python/tuple
+- Na
+- Ir
+: 2.65
+? !!python/tuple
+- Na
+- K
+: 2.59
+? !!python/tuple
+- Na
+- La
+: 3.0599999999999996
+? !!python/tuple
+- Na
+- Lu
+: 3.01
+? !!python/tuple
+- Na
+- Mg
+: 2.4299999999999997
+? !!python/tuple
+- Na
+- Mn
+: 2.6799999999999997
+? !!python/tuple
+- Na
+- Mo
+: 2.7199999999999998
+? !!python/tuple
+- Na
+- Na
+: 2.3
+? !!python/tuple
+- Na
+- Nb
+: 2.8099999999999996
+? !!python/tuple
+- Na
+- Nd
+: 3.07
+? !!python/tuple
+- Na
+- Ni
+: 2.48
+? !!python/tuple
+- Na
+- Np
+: 2.88
+? !!python/tuple
+- Na
+- P
+: 2.4299999999999997
+? !!python/tuple
+- Na
+- Pb
+: 2.87
+? !!python/tuple
+- Na
+- Pd
+: 2.83
+? !!python/tuple
+- Na
+- Pr
+: 2.9
+? !!python/tuple
+- Na
+- Pt
+: 2.8099999999999996
+? !!python/tuple
+- Na
+- Pu
+: 2.86
+? !!python/tuple
+- Na
+- Rb
+: 2.8
+? !!python/tuple
+- Na
+- Re
+: 2.44
+? !!python/tuple
+- Na
+- Rh
+: 2.78
+? !!python/tuple
+- Na
+- Ru
+: 2.73
+? !!python/tuple
+- Na
+- S
+: 2.3499999999999996
+? !!python/tuple
+- Na
+- Sb
+: 2.79
+? !!python/tuple
+- Na
+- Sc
+: 2.77
+? !!python/tuple
+- Na
+- Se
+: 2.55
+? !!python/tuple
+- Na
+- Si
+: 2.53
+? !!python/tuple
+- Na
+- Sm
+: 3.04
+? !!python/tuple
+- Na
+- Sn
+: 2.79
+? !!python/tuple
+- Na
+- Sr
+: 2.45
+? !!python/tuple
+- Na
+- Tb
+: 2.9699999999999998
+? !!python/tuple
+- Na
+- Te
+: 2.8
+? !!python/tuple
+- Na
+- Th
+: 3.12
+? !!python/tuple
+- Na
+- Ti
+: 2.8
+? !!python/tuple
+- Na
+- Tm
+: 2.99
+? !!python/tuple
+- Na
+- U
+: 2.91
+? !!python/tuple
+- Na
+- V
+: 2.66
+? !!python/tuple
+- Na
+- W
+: 2.48
+? !!python/tuple
+- Na
+- Y
+: 2.99
+? !!python/tuple
+- Na
+- Yb
+: 2.95
+? !!python/tuple
+- Na
+- Zn
+: 2.5599999999999996
+? !!python/tuple
+- Na
+- Zr
+: 2.88
+? !!python/tuple
+- Nb
+- Ag
+: 3.2199999999999998
+? !!python/tuple
+- Nb
+- Au
+: 3.34
+? !!python/tuple
+- Nb
+- Ba
+: 3.1799999999999997
+? !!python/tuple
+- Nb
+- Bi
+: 3.38
+? !!python/tuple
+- Nb
+- Cd
+: 3.2199999999999998
+? !!python/tuple
+- Nb
+- Ce
+: 3.6399999999999997
+? !!python/tuple
+- Nb
+- Cs
+: 3.51
+? !!python/tuple
+- Nb
+- Dy
+: 3.45
+? !!python/tuple
+- Nb
+- Er
+: 3.46
+? !!python/tuple
+- Nb
+- Eu
+: 3.49
+? !!python/tuple
+- Nb
+- Gd
+: 3.45
+? !!python/tuple
+- Nb
+- Hf
+: 3.3899999999999997
+? !!python/tuple
+- Nb
+- Hg
+: 3.54
+? !!python/tuple
+- Nb
+- Ho
+: 3.29
+? !!python/tuple
+- Nb
+- I
+: 3.24
+? !!python/tuple
+- Nb
+- In
+: 3.19
+? !!python/tuple
+- Nb
+- Ir
+: 3.16
+? !!python/tuple
+- Nb
+- La
+: 3.57
+? !!python/tuple
+- Nb
+- Lu
+: 3.52
+? !!python/tuple
+- Nb
+- Mo
+: 3.23
+? !!python/tuple
+- Nb
+- Nb
+: 3.32
+? !!python/tuple
+- Nb
+- Nd
+: 3.58
+? !!python/tuple
+- Nb
+- Np
+: 3.3899999999999997
+? !!python/tuple
+- Nb
+- Pb
+: 3.38
+? !!python/tuple
+- Nb
+- Pd
+: 3.34
+? !!python/tuple
+- Nb
+- Pr
+: 3.41
+? !!python/tuple
+- Nb
+- Pt
+: 3.32
+? !!python/tuple
+- Nb
+- Pu
+: 3.37
+? !!python/tuple
+- Nb
+- Re
+: 2.95
+? !!python/tuple
+- Nb
+- Rh
+: 3.29
+? !!python/tuple
+- Nb
+- Ru
+: 3.24
+? !!python/tuple
+- Nb
+- Sb
+: 3.3
+? !!python/tuple
+- Nb
+- Sm
+: 3.55
+? !!python/tuple
+- Nb
+- Sn
+: 3.3
+? !!python/tuple
+- Nb
+- Tb
+: 3.48
+? !!python/tuple
+- Nb
+- Te
+: 3.3099999999999996
+? !!python/tuple
+- Nb
+- Th
+: 3.63
+? !!python/tuple
+- Nb
+- Tm
+: 3.5
+? !!python/tuple
+- Nb
+- U
+: 3.42
+? !!python/tuple
+- Nb
+- W
+: 2.99
+? !!python/tuple
+- Nb
+- Yb
+: 3.46
+? !!python/tuple
+- Nd
+- Au
+: 3.5999999999999996
+? !!python/tuple
+- Nd
+- Bi
+: 3.6399999999999997
+? !!python/tuple
+- Nd
+- Dy
+: 3.71
+? !!python/tuple
+- Nd
+- Er
+: 3.7199999999999998
+? !!python/tuple
+- Nd
+- Eu
+: 3.75
+? !!python/tuple
+- Nd
+- Gd
+: 3.71
+? !!python/tuple
+- Nd
+- Hf
+: 3.65
+? !!python/tuple
+- Nd
+- Hg
+: 3.8
+? !!python/tuple
+- Nd
+- Ho
+: 3.55
+? !!python/tuple
+- Nd
+- Ir
+: 3.42
+? !!python/tuple
+- Nd
+- Lu
+: 3.7800000000000002
+? !!python/tuple
+- Nd
+- Nd
+: 3.84
+? !!python/tuple
+- Nd
+- Np
+: 3.65
+? !!python/tuple
+- Nd
+- Pb
+: 3.6399999999999997
+? !!python/tuple
+- Nd
+- Pt
+: 3.58
+? !!python/tuple
+- Nd
+- Pu
+: 3.63
+? !!python/tuple
+- Nd
+- Re
+: 3.21
+? !!python/tuple
+- Nd
+- Sm
+: 3.8099999999999996
+? !!python/tuple
+- Nd
+- Tb
+: 3.74
+? !!python/tuple
+- Nd
+- Th
+: 3.8899999999999997
+? !!python/tuple
+- Nd
+- Tm
+: 3.76
+? !!python/tuple
+- Nd
+- U
+: 3.6799999999999997
+? !!python/tuple
+- Nd
+- W
+: 3.25
+? !!python/tuple
+- Nd
+- Yb
+: 3.7199999999999998
+? !!python/tuple
+- Ni
+- Ag
+: 2.89
+? !!python/tuple
+- Ni
+- As
+: 2.7199999999999998
+? !!python/tuple
+- Ni
+- Au
+: 3.01
+? !!python/tuple
+- Ni
+- Ba
+: 2.85
+? !!python/tuple
+- Ni
+- Bi
+: 3.05
+? !!python/tuple
+- Ni
+- Br
+: 2.7199999999999998
+? !!python/tuple
+- Ni
+- Cd
+: 2.89
+? !!python/tuple
+- Ni
+- Ce
+: 3.31
+? !!python/tuple
+- Ni
+- Cs
+: 3.18
+? !!python/tuple
+- Ni
+- Cu
+: 2.64
+? !!python/tuple
+- Ni
+- Dy
+: 3.12
+? !!python/tuple
+- Ni
+- Er
+: 3.13
+? !!python/tuple
+- Ni
+- Eu
+: 3.16
+? !!python/tuple
+- Ni
+- Ga
+: 2.73
+? !!python/tuple
+- Ni
+- Gd
+: 3.12
+? !!python/tuple
+- Ni
+- Ge
+: 2.68
+? !!python/tuple
+- Ni
+- Hf
+: 3.06
+? !!python/tuple
+- Ni
+- Hg
+: 3.21
+? !!python/tuple
+- Ni
+- Ho
+: 2.96
+? !!python/tuple
+- Ni
+- I
+: 2.91
+? !!python/tuple
+- Ni
+- In
+: 2.8600000000000003
+? !!python/tuple
+- Ni
+- Ir
+: 2.83
+? !!python/tuple
+- Ni
+- La
+: 3.24
+? !!python/tuple
+- Ni
+- Lu
+: 3.1900000000000004
+? !!python/tuple
+- Ni
+- Mo
+: 2.9000000000000004
+? !!python/tuple
+- Ni
+- Nb
+: 2.99
+? !!python/tuple
+- Ni
+- Nd
+: 3.25
+? !!python/tuple
+- Ni
+- Ni
+: 2.66
+? !!python/tuple
+- Ni
+- Np
+: 3.06
+? !!python/tuple
+- Ni
+- Pb
+: 3.05
+? !!python/tuple
+- Ni
+- Pd
+: 3.01
+? !!python/tuple
+- Ni
+- Pr
+: 3.08
+? !!python/tuple
+- Ni
+- Pt
+: 2.99
+? !!python/tuple
+- Ni
+- Pu
+: 3.04
+? !!python/tuple
+- Ni
+- Rb
+: 2.98
+? !!python/tuple
+- Ni
+- Re
+: 2.62
+? !!python/tuple
+- Ni
+- Rh
+: 2.96
+? !!python/tuple
+- Ni
+- Ru
+: 2.91
+? !!python/tuple
+- Ni
+- Sb
+: 2.9699999999999998
+? !!python/tuple
+- Ni
+- Se
+: 2.73
+? !!python/tuple
+- Ni
+- Sm
+: 3.2199999999999998
+? !!python/tuple
+- Ni
+- Sn
+: 2.9699999999999998
+? !!python/tuple
+- Ni
+- Sr
+: 2.63
+? !!python/tuple
+- Ni
+- Tb
+: 3.1500000000000004
+? !!python/tuple
+- Ni
+- Te
+: 2.98
+? !!python/tuple
+- Ni
+- Th
+: 3.3
+? !!python/tuple
+- Ni
+- Tm
+: 3.17
+? !!python/tuple
+- Ni
+- U
+: 3.09
+? !!python/tuple
+- Ni
+- W
+: 2.66
+? !!python/tuple
+- Ni
+- Y
+: 3.17
+? !!python/tuple
+- Ni
+- Yb
+: 3.13
+? !!python/tuple
+- Ni
+- Zn
+: 2.74
+? !!python/tuple
+- Ni
+- Zr
+: 3.06
+? !!python/tuple
+- Np
+- Np
+: 3.46
+? !!python/tuple
+- Np
+- Pu
+: 3.44
+? !!python/tuple
+- O
+- Ag
+: 2.45
+? !!python/tuple
+- O
+- Al
+: 2.42
+? !!python/tuple
+- O
+- As
+: 2.28
+? !!python/tuple
+- O
+- Au
+: 2.57
+? !!python/tuple
+- O
+- Ba
+: 2.41
+? !!python/tuple
+- O
+- Bi
+: 2.61
+? !!python/tuple
+- O
+- Br
+: 2.28
+? !!python/tuple
+- O
+- Ca
+: 2.06
+? !!python/tuple
+- O
+- Cd
+: 2.45
+? !!python/tuple
+- O
+- Ce
+: 2.87
+? !!python/tuple
+- O
+- Cl
+: 2.06
+? !!python/tuple
+- O
+- Co
+: 2.2
+? !!python/tuple
+- O
+- Cr
+: 2.42
+? !!python/tuple
+- O
+- Cs
+: 2.74
+? !!python/tuple
+- O
+- Cu
+: 2.2
+? !!python/tuple
+- O
+- Dy
+: 2.68
+? !!python/tuple
+- O
+- Er
+: 2.69
+? !!python/tuple
+- O
+- Eu
+: 2.72
+? !!python/tuple
+- O
+- F
+: 1.71
+? !!python/tuple
+- O
+- Fe
+: 2.32
+? !!python/tuple
+- O
+- Ga
+: 2.29
+? !!python/tuple
+- O
+- Gd
+: 2.68
+? !!python/tuple
+- O
+- Ge
+: 2.24
+? !!python/tuple
+- O
+- Hf
+: 2.62
+? !!python/tuple
+- O
+- Hg
+: 2.77
+? !!python/tuple
+- O
+- Ho
+: 2.52
+? !!python/tuple
+- O
+- I
+: 2.47
+? !!python/tuple
+- O
+- In
+: 2.42
+? !!python/tuple
+- O
+- Ir
+: 2.39
+? !!python/tuple
+- O
+- K
+: 2.33
+? !!python/tuple
+- O
+- La
+: 2.8
+? !!python/tuple
+- O
+- Lu
+: 2.75
+? !!python/tuple
+- O
+- Mg
+: 2.17
+? !!python/tuple
+- O
+- Mn
+: 2.42
+? !!python/tuple
+- O
+- Mo
+: 2.46
+? !!python/tuple
+- O
+- Na
+: 2.04
+? !!python/tuple
+- O
+- Nb
+: 2.55
+? !!python/tuple
+- O
+- Nd
+: 2.81
+? !!python/tuple
+- O
+- Ni
+: 2.22
+? !!python/tuple
+- O
+- Np
+: 2.62
+? !!python/tuple
+- O
+- O
+: 1.78
+? !!python/tuple
+- O
+- P
+: 2.17
+? !!python/tuple
+- O
+- Pb
+: 2.61
+? !!python/tuple
+- O
+- Pd
+: 2.57
+? !!python/tuple
+- O
+- Pr
+: 2.64
+? !!python/tuple
+- O
+- Pt
+: 2.55
+? !!python/tuple
+- O
+- Pu
+: 2.6
+? !!python/tuple
+- O
+- Rb
+: 2.54
+? !!python/tuple
+- O
+- Re
+: 2.18
+? !!python/tuple
+- O
+- Rh
+: 2.52
+? !!python/tuple
+- O
+- Ru
+: 2.47
+? !!python/tuple
+- O
+- S
+: 2.09
+? !!python/tuple
+- O
+- Sb
+: 2.53
+? !!python/tuple
+- O
+- Sc
+: 2.5100000000000002
+? !!python/tuple
+- O
+- Se
+: 2.29
+? !!python/tuple
+- O
+- Si
+: 2.27
+? !!python/tuple
+- O
+- Sm
+: 2.78
+? !!python/tuple
+- O
+- Sn
+: 2.53
+? !!python/tuple
+- O
+- Sr
+: 2.19
+? !!python/tuple
+- O
+- Tb
+: 2.71
+? !!python/tuple
+- O
+- Te
+: 2.54
+? !!python/tuple
+- O
+- Th
+: 2.86
+? !!python/tuple
+- O
+- Ti
+: 2.54
+? !!python/tuple
+- O
+- Tm
+: 2.73
+? !!python/tuple
+- O
+- U
+: 2.65
+? !!python/tuple
+- O
+- V
+: 2.4
+? !!python/tuple
+- O
+- W
+: 2.22
+? !!python/tuple
+- O
+- Y
+: 2.73
+? !!python/tuple
+- O
+- Yb
+: 2.69
+? !!python/tuple
+- O
+- Zn
+: 2.3
+? !!python/tuple
+- O
+- Zr
+: 2.62
+? !!python/tuple
+- P
+- Ag
+: 2.84
+? !!python/tuple
+- P
+- As
+: 2.67
+? !!python/tuple
+- P
+- Au
+: 2.96
+? !!python/tuple
+- P
+- Ba
+: 2.8
+? !!python/tuple
+- P
+- Bi
+: 3.0
+? !!python/tuple
+- P
+- Br
+: 2.67
+? !!python/tuple
+- P
+- Ca
+: 2.45
+? !!python/tuple
+- P
+- Cd
+: 2.84
+? !!python/tuple
+- P
+- Ce
+: 3.26
+? !!python/tuple
+- P
+- Cl
+: 2.45
+? !!python/tuple
+- P
+- Co
+: 2.59
+? !!python/tuple
+- P
+- Cr
+: 2.81
+? !!python/tuple
+- P
+- Cs
+: 3.13
+? !!python/tuple
+- P
+- Cu
+: 2.59
+? !!python/tuple
+- P
+- Dy
+: 3.0700000000000003
+? !!python/tuple
+- P
+- Er
+: 3.08
+? !!python/tuple
+- P
+- Eu
+: 3.1100000000000003
+? !!python/tuple
+- P
+- Fe
+: 2.71
+? !!python/tuple
+- P
+- Ga
+: 2.6799999999999997
+? !!python/tuple
+- P
+- Gd
+: 3.0700000000000003
+? !!python/tuple
+- P
+- Ge
+: 2.63
+? !!python/tuple
+- P
+- Hf
+: 3.01
+? !!python/tuple
+- P
+- Hg
+: 3.16
+? !!python/tuple
+- P
+- Ho
+: 2.91
+? !!python/tuple
+- P
+- I
+: 2.8600000000000003
+? !!python/tuple
+- P
+- In
+: 2.81
+? !!python/tuple
+- P
+- Ir
+: 2.7800000000000002
+? !!python/tuple
+- P
+- K
+: 2.7199999999999998
+? !!python/tuple
+- P
+- La
+: 3.19
+? !!python/tuple
+- P
+- Lu
+: 3.14
+? !!python/tuple
+- P
+- Mn
+: 2.81
+? !!python/tuple
+- P
+- Mo
+: 2.85
+? !!python/tuple
+- P
+- Nb
+: 2.94
+? !!python/tuple
+- P
+- Nd
+: 3.2
+? !!python/tuple
+- P
+- Ni
+: 2.6100000000000003
+? !!python/tuple
+- P
+- Np
+: 3.01
+? !!python/tuple
+- P
+- P
+: 2.56
+? !!python/tuple
+- P
+- Pb
+: 3.0
+? !!python/tuple
+- P
+- Pd
+: 2.96
+? !!python/tuple
+- P
+- Pr
+: 3.0300000000000002
+? !!python/tuple
+- P
+- Pt
+: 2.94
+? !!python/tuple
+- P
+- Pu
+: 2.99
+? !!python/tuple
+- P
+- Rb
+: 2.9299999999999997
+? !!python/tuple
+- P
+- Re
+: 2.5700000000000003
+? !!python/tuple
+- P
+- Rh
+: 2.91
+? !!python/tuple
+- P
+- Ru
+: 2.8600000000000003
+? !!python/tuple
+- P
+- S
+: 2.48
+? !!python/tuple
+- P
+- Sb
+: 2.92
+? !!python/tuple
+- P
+- Sc
+: 2.9000000000000004
+? !!python/tuple
+- P
+- Se
+: 2.6799999999999997
+? !!python/tuple
+- P
+- Sm
+: 3.17
+? !!python/tuple
+- P
+- Sn
+: 2.92
+? !!python/tuple
+- P
+- Sr
+: 2.58
+? !!python/tuple
+- P
+- Tb
+: 3.1
+? !!python/tuple
+- P
+- Te
+: 2.9299999999999997
+? !!python/tuple
+- P
+- Th
+: 3.25
+? !!python/tuple
+- P
+- Ti
+: 2.9299999999999997
+? !!python/tuple
+- P
+- Tm
+: 3.12
+? !!python/tuple
+- P
+- U
+: 3.04
+? !!python/tuple
+- P
+- V
+: 2.79
+? !!python/tuple
+- P
+- W
+: 2.6100000000000003
+? !!python/tuple
+- P
+- Y
+: 3.12
+? !!python/tuple
+- P
+- Yb
+: 3.08
+? !!python/tuple
+- P
+- Zn
+: 2.69
+? !!python/tuple
+- P
+- Zr
+: 3.01
+? !!python/tuple
+- Pb
+- Bi
+: 3.44
+? !!python/tuple
+- Pb
+- Np
+: 3.45
+? !!python/tuple
+- Pb
+- Pb
+: 3.44
+? !!python/tuple
+- Pb
+- Pu
+: 3.4299999999999997
+? !!python/tuple
+- Pb
+- Th
+: 3.69
+? !!python/tuple
+- Pb
+- U
+: 3.48
+? !!python/tuple
+- Pd
+- Ag
+: 3.24
+? !!python/tuple
+- Pd
+- Au
+: 3.36
+? !!python/tuple
+- Pd
+- Ba
+: 3.2
+? !!python/tuple
+- Pd
+- Bi
+: 3.4
+? !!python/tuple
+- Pd
+- Cd
+: 3.24
+? !!python/tuple
+- Pd
+- Ce
+: 3.66
+? !!python/tuple
+- Pd
+- Cs
+: 3.5300000000000002
+? !!python/tuple
+- Pd
+- Dy
+: 3.4699999999999998
+? !!python/tuple
+- Pd
+- Er
+: 3.48
+? !!python/tuple
+- Pd
+- Eu
+: 3.51
+? !!python/tuple
+- Pd
+- Gd
+: 3.4699999999999998
+? !!python/tuple
+- Pd
+- Hf
+: 3.41
+? !!python/tuple
+- Pd
+- Hg
+: 3.5599999999999996
+? !!python/tuple
+- Pd
+- Ho
+: 3.3099999999999996
+? !!python/tuple
+- Pd
+- I
+: 3.26
+? !!python/tuple
+- Pd
+- In
+: 3.21
+? !!python/tuple
+- Pd
+- Ir
+: 3.1799999999999997
+? !!python/tuple
+- Pd
+- La
+: 3.59
+? !!python/tuple
+- Pd
+- Lu
+: 3.54
+? !!python/tuple
+- Pd
+- Nd
+: 3.5999999999999996
+? !!python/tuple
+- Pd
+- Np
+: 3.41
+? !!python/tuple
+- Pd
+- Pb
+: 3.4
+? !!python/tuple
+- Pd
+- Pd
+: 3.36
+? !!python/tuple
+- Pd
+- Pr
+: 3.4299999999999997
+? !!python/tuple
+- Pd
+- Pt
+: 3.34
+? !!python/tuple
+- Pd
+- Pu
+: 3.3899999999999997
+? !!python/tuple
+- Pd
+- Re
+: 2.9699999999999998
+? !!python/tuple
+- Pd
+- Sb
+: 3.32
+? !!python/tuple
+- Pd
+- Sm
+: 3.57
+? !!python/tuple
+- Pd
+- Sn
+: 3.32
+? !!python/tuple
+- Pd
+- Tb
+: 3.5
+? !!python/tuple
+- Pd
+- Te
+: 3.33
+? !!python/tuple
+- Pd
+- Th
+: 3.65
+? !!python/tuple
+- Pd
+- Tm
+: 3.52
+? !!python/tuple
+- Pd
+- U
+: 3.44
+? !!python/tuple
+- Pd
+- W
+: 3.01
+? !!python/tuple
+- Pd
+- Yb
+: 3.48
+? !!python/tuple
+- Pr
+- Au
+: 3.4299999999999997
+? !!python/tuple
+- Pr
+- Bi
+: 3.4699999999999998
+? !!python/tuple
+- Pr
+- Dy
+: 3.54
+? !!python/tuple
+- Pr
+- Er
+: 3.55
+? !!python/tuple
+- Pr
+- Eu
+: 3.58
+? !!python/tuple
+- Pr
+- Gd
+: 3.54
+? !!python/tuple
+- Pr
+- Hf
+: 3.48
+? !!python/tuple
+- Pr
+- Hg
+: 3.63
+? !!python/tuple
+- Pr
+- Ho
+: 3.38
+? !!python/tuple
+- Pr
+- Ir
+: 3.25
+? !!python/tuple
+- Pr
+- Lu
+: 3.6100000000000003
+? !!python/tuple
+- Pr
+- Nd
+: 3.67
+? !!python/tuple
+- Pr
+- Np
+: 3.48
+? !!python/tuple
+- Pr
+- Pb
+: 3.4699999999999998
+? !!python/tuple
+- Pr
+- Pr
+: 3.5
+? !!python/tuple
+- Pr
+- Pt
+: 3.41
+? !!python/tuple
+- Pr
+- Pu
+: 3.46
+? !!python/tuple
+- Pr
+- Re
+: 3.04
+? !!python/tuple
+- Pr
+- Sm
+: 3.6399999999999997
+? !!python/tuple
+- Pr
+- Tb
+: 3.5700000000000003
+? !!python/tuple
+- Pr
+- Th
+: 3.7199999999999998
+? !!python/tuple
+- Pr
+- Tm
+: 3.59
+? !!python/tuple
+- Pr
+- U
+: 3.51
+? !!python/tuple
+- Pr
+- W
+: 3.08
+? !!python/tuple
+- Pr
+- Yb
+: 3.55
+? !!python/tuple
+- Pt
+- Au
+: 3.34
+? !!python/tuple
+- Pt
+- Bi
+: 3.38
+? !!python/tuple
+- Pt
+- Hg
+: 3.54
+? !!python/tuple
+- Pt
+- Np
+: 3.3899999999999997
+? !!python/tuple
+- Pt
+- Pb
+: 3.38
+? !!python/tuple
+- Pt
+- Pt
+: 3.32
+? !!python/tuple
+- Pt
+- Pu
+: 3.37
+? !!python/tuple
+- Pt
+- Th
+: 3.63
+? !!python/tuple
+- Pt
+- U
+: 3.42
+? !!python/tuple
+- Pu
+- Pu
+: 3.42
+? !!python/tuple
+- Rb
+- Ag
+: 3.21
+? !!python/tuple
+- Rb
+- Au
+: 3.33
+? !!python/tuple
+- Rb
+- Ba
+: 3.17
+? !!python/tuple
+- Rb
+- Bi
+: 3.37
+? !!python/tuple
+- Rb
+- Cd
+: 3.21
+? !!python/tuple
+- Rb
+- Ce
+: 3.63
+? !!python/tuple
+- Rb
+- Cs
+: 3.5
+? !!python/tuple
+- Rb
+- Dy
+: 3.44
+? !!python/tuple
+- Rb
+- Er
+: 3.45
+? !!python/tuple
+- Rb
+- Eu
+: 3.48
+? !!python/tuple
+- Rb
+- Gd
+: 3.44
+? !!python/tuple
+- Rb
+- Hf
+: 3.38
+? !!python/tuple
+- Rb
+- Hg
+: 3.53
+? !!python/tuple
+- Rb
+- Ho
+: 3.28
+? !!python/tuple
+- Rb
+- I
+: 3.23
+? !!python/tuple
+- Rb
+- In
+: 3.1799999999999997
+? !!python/tuple
+- Rb
+- Ir
+: 3.15
+? !!python/tuple
+- Rb
+- La
+: 3.5599999999999996
+? !!python/tuple
+- Rb
+- Lu
+: 3.51
+? !!python/tuple
+- Rb
+- Mo
+: 3.2199999999999998
+? !!python/tuple
+- Rb
+- Nb
+: 3.3099999999999996
+? !!python/tuple
+- Rb
+- Nd
+: 3.57
+? !!python/tuple
+- Rb
+- Np
+: 3.38
+? !!python/tuple
+- Rb
+- Pb
+: 3.37
+? !!python/tuple
+- Rb
+- Pd
+: 3.33
+? !!python/tuple
+- Rb
+- Pr
+: 3.4
+? !!python/tuple
+- Rb
+- Pt
+: 3.3099999999999996
+? !!python/tuple
+- Rb
+- Pu
+: 3.36
+? !!python/tuple
+- Rb
+- Rb
+: 3.3
+? !!python/tuple
+- Rb
+- Re
+: 2.94
+? !!python/tuple
+- Rb
+- Rh
+: 3.28
+? !!python/tuple
+- Rb
+- Ru
+: 3.23
+? !!python/tuple
+- Rb
+- Sb
+: 3.29
+? !!python/tuple
+- Rb
+- Sm
+: 3.54
+? !!python/tuple
+- Rb
+- Sn
+: 3.29
+? !!python/tuple
+- Rb
+- Sr
+: 2.95
+? !!python/tuple
+- Rb
+- Tb
+: 3.4699999999999998
+? !!python/tuple
+- Rb
+- Te
+: 3.3
+? !!python/tuple
+- Rb
+- Th
+: 3.62
+? !!python/tuple
+- Rb
+- Tm
+: 3.49
+? !!python/tuple
+- Rb
+- U
+: 3.41
+? !!python/tuple
+- Rb
+- W
+: 2.98
+? !!python/tuple
+- Rb
+- Y
+: 3.49
+? !!python/tuple
+- Rb
+- Yb
+: 3.45
+? !!python/tuple
+- Rb
+- Zr
+: 3.38
+? !!python/tuple
+- Re
+- Au
+: 2.9699999999999998
+? !!python/tuple
+- Re
+- Bi
+: 3.01
+? !!python/tuple
+- Re
+- Hg
+: 3.17
+? !!python/tuple
+- Re
+- Ir
+: 2.79
+? !!python/tuple
+- Re
+- Np
+: 3.02
+? !!python/tuple
+- Re
+- Pb
+: 3.01
+? !!python/tuple
+- Re
+- Pt
+: 2.95
+? !!python/tuple
+- Re
+- Pu
+: 3.0
+? !!python/tuple
+- Re
+- Re
+: 2.58
+? !!python/tuple
+- Re
+- Th
+: 3.26
+? !!python/tuple
+- Re
+- U
+: 3.05
+? !!python/tuple
+- Rh
+- Ag
+: 3.19
+? !!python/tuple
+- Rh
+- Au
+: 3.3099999999999996
+? !!python/tuple
+- Rh
+- Ba
+: 3.15
+? !!python/tuple
+- Rh
+- Bi
+: 3.3499999999999996
+? !!python/tuple
+- Rh
+- Cd
+: 3.19
+? !!python/tuple
+- Rh
+- Ce
+: 3.61
+? !!python/tuple
+- Rh
+- Cs
+: 3.48
+? !!python/tuple
+- Rh
+- Dy
+: 3.42
+? !!python/tuple
+- Rh
+- Er
+: 3.4299999999999997
+? !!python/tuple
+- Rh
+- Eu
+: 3.46
+? !!python/tuple
+- Rh
+- Gd
+: 3.42
+? !!python/tuple
+- Rh
+- Hf
+: 3.36
+? !!python/tuple
+- Rh
+- Hg
+: 3.51
+? !!python/tuple
+- Rh
+- Ho
+: 3.26
+? !!python/tuple
+- Rh
+- I
+: 3.21
+? !!python/tuple
+- Rh
+- In
+: 3.16
+? !!python/tuple
+- Rh
+- Ir
+: 3.13
+? !!python/tuple
+- Rh
+- La
+: 3.54
+? !!python/tuple
+- Rh
+- Lu
+: 3.49
+? !!python/tuple
+- Rh
+- Nd
+: 3.55
+? !!python/tuple
+- Rh
+- Np
+: 3.36
+? !!python/tuple
+- Rh
+- Pb
+: 3.3499999999999996
+? !!python/tuple
+- Rh
+- Pd
+: 3.3099999999999996
+? !!python/tuple
+- Rh
+- Pr
+: 3.38
+? !!python/tuple
+- Rh
+- Pt
+: 3.29
+? !!python/tuple
+- Rh
+- Pu
+: 3.34
+? !!python/tuple
+- Rh
+- Re
+: 2.92
+? !!python/tuple
+- Rh
+- Rh
+: 3.26
+? !!python/tuple
+- Rh
+- Sb
+: 3.2699999999999996
+? !!python/tuple
+- Rh
+- Sm
+: 3.5199999999999996
+? !!python/tuple
+- Rh
+- Sn
+: 3.2699999999999996
+? !!python/tuple
+- Rh
+- Tb
+: 3.45
+? !!python/tuple
+- Rh
+- Te
+: 3.28
+? !!python/tuple
+- Rh
+- Th
+: 3.5999999999999996
+? !!python/tuple
+- Rh
+- Tm
+: 3.4699999999999998
+? !!python/tuple
+- Rh
+- U
+: 3.3899999999999997
+? !!python/tuple
+- Rh
+- W
+: 2.96
+? !!python/tuple
+- Rh
+- Yb
+: 3.4299999999999997
+? !!python/tuple
+- Ru
+- Ag
+: 3.14
+? !!python/tuple
+- Ru
+- Au
+: 3.26
+? !!python/tuple
+- Ru
+- Ba
+: 3.1
+? !!python/tuple
+- Ru
+- Bi
+: 3.3
+? !!python/tuple
+- Ru
+- Cd
+: 3.14
+? !!python/tuple
+- Ru
+- Ce
+: 3.56
+? !!python/tuple
+- Ru
+- Cs
+: 3.43
+? !!python/tuple
+- Ru
+- Dy
+: 3.37
+? !!python/tuple
+- Ru
+- Er
+: 3.38
+? !!python/tuple
+- Ru
+- Eu
+: 3.41
+? !!python/tuple
+- Ru
+- Gd
+: 3.37
+? !!python/tuple
+- Ru
+- Hf
+: 3.31
+? !!python/tuple
+- Ru
+- Hg
+: 3.46
+? !!python/tuple
+- Ru
+- Ho
+: 3.21
+? !!python/tuple
+- Ru
+- I
+: 3.16
+? !!python/tuple
+- Ru
+- In
+: 3.1100000000000003
+? !!python/tuple
+- Ru
+- Ir
+: 3.08
+? !!python/tuple
+- Ru
+- La
+: 3.49
+? !!python/tuple
+- Ru
+- Lu
+: 3.4400000000000004
+? !!python/tuple
+- Ru
+- Nd
+: 3.5
+? !!python/tuple
+- Ru
+- Np
+: 3.31
+? !!python/tuple
+- Ru
+- Pb
+: 3.3
+? !!python/tuple
+- Ru
+- Pd
+: 3.26
+? !!python/tuple
+- Ru
+- Pr
+: 3.33
+? !!python/tuple
+- Ru
+- Pt
+: 3.24
+? !!python/tuple
+- Ru
+- Pu
+: 3.29
+? !!python/tuple
+- Ru
+- Re
+: 2.87
+? !!python/tuple
+- Ru
+- Rh
+: 3.21
+? !!python/tuple
+- Ru
+- Ru
+: 3.16
+? !!python/tuple
+- Ru
+- Sb
+: 3.2199999999999998
+? !!python/tuple
+- Ru
+- Sm
+: 3.4699999999999998
+? !!python/tuple
+- Ru
+- Sn
+: 3.2199999999999998
+? !!python/tuple
+- Ru
+- Tb
+: 3.4000000000000004
+? !!python/tuple
+- Ru
+- Te
+: 3.23
+? !!python/tuple
+- Ru
+- Th
+: 3.55
+? !!python/tuple
+- Ru
+- Tm
+: 3.42
+? !!python/tuple
+- Ru
+- U
+: 3.34
+? !!python/tuple
+- Ru
+- W
+: 2.91
+? !!python/tuple
+- Ru
+- Yb
+: 3.38
+? !!python/tuple
+- S
+- Ag
+: 2.76
+? !!python/tuple
+- S
+- As
+: 2.59
+? !!python/tuple
+- S
+- Au
+: 2.88
+? !!python/tuple
+- S
+- Ba
+: 2.7199999999999998
+? !!python/tuple
+- S
+- Bi
+: 2.92
+? !!python/tuple
+- S
+- Br
+: 2.59
+? !!python/tuple
+- S
+- Ca
+: 2.37
+? !!python/tuple
+- S
+- Cd
+: 2.76
+? !!python/tuple
+- S
+- Ce
+: 3.1799999999999997
+? !!python/tuple
+- S
+- Cl
+: 2.37
+? !!python/tuple
+- S
+- Co
+: 2.51
+? !!python/tuple
+- S
+- Cr
+: 2.73
+? !!python/tuple
+- S
+- Cs
+: 3.05
+? !!python/tuple
+- S
+- Cu
+: 2.51
+? !!python/tuple
+- S
+- Dy
+: 2.99
+? !!python/tuple
+- S
+- Er
+: 3.0
+? !!python/tuple
+- S
+- Eu
+: 3.0300000000000002
+? !!python/tuple
+- S
+- Fe
+: 2.63
+? !!python/tuple
+- S
+- Ga
+: 2.5999999999999996
+? !!python/tuple
+- S
+- Gd
+: 2.99
+? !!python/tuple
+- S
+- Ge
+: 2.55
+? !!python/tuple
+- S
+- Hf
+: 2.9299999999999997
+? !!python/tuple
+- S
+- Hg
+: 3.08
+? !!python/tuple
+- S
+- Ho
+: 2.83
+? !!python/tuple
+- S
+- I
+: 2.7800000000000002
+? !!python/tuple
+- S
+- In
+: 2.73
+? !!python/tuple
+- S
+- Ir
+: 2.7
+? !!python/tuple
+- S
+- K
+: 2.6399999999999997
+? !!python/tuple
+- S
+- La
+: 3.11
+? !!python/tuple
+- S
+- Lu
+: 3.06
+? !!python/tuple
+- S
+- Mn
+: 2.73
+? !!python/tuple
+- S
+- Mo
+: 2.77
+? !!python/tuple
+- S
+- Nb
+: 2.86
+? !!python/tuple
+- S
+- Nd
+: 3.12
+? !!python/tuple
+- S
+- Ni
+: 2.5300000000000002
+? !!python/tuple
+- S
+- Np
+: 2.9299999999999997
+? !!python/tuple
+- S
+- Pb
+: 2.92
+? !!python/tuple
+- S
+- Pd
+: 2.88
+? !!python/tuple
+- S
+- Pr
+: 2.95
+? !!python/tuple
+- S
+- Pt
+: 2.86
+? !!python/tuple
+- S
+- Pu
+: 2.91
+? !!python/tuple
+- S
+- Rb
+: 2.8499999999999996
+? !!python/tuple
+- S
+- Re
+: 2.49
+? !!python/tuple
+- S
+- Rh
+: 2.83
+? !!python/tuple
+- S
+- Ru
+: 2.7800000000000002
+? !!python/tuple
+- S
+- S
+: 2.4
+? !!python/tuple
+- S
+- Sb
+: 2.84
+? !!python/tuple
+- S
+- Sc
+: 2.8200000000000003
+? !!python/tuple
+- S
+- Se
+: 2.5999999999999996
+? !!python/tuple
+- S
+- Sm
+: 3.09
+? !!python/tuple
+- S
+- Sn
+: 2.84
+? !!python/tuple
+- S
+- Sr
+: 2.5
+? !!python/tuple
+- S
+- Tb
+: 3.02
+? !!python/tuple
+- S
+- Te
+: 2.8499999999999996
+? !!python/tuple
+- S
+- Th
+: 3.17
+? !!python/tuple
+- S
+- Ti
+: 2.8499999999999996
+? !!python/tuple
+- S
+- Tm
+: 3.04
+? !!python/tuple
+- S
+- U
+: 2.96
+? !!python/tuple
+- S
+- V
+: 2.71
+? !!python/tuple
+- S
+- W
+: 2.5300000000000002
+? !!python/tuple
+- S
+- Y
+: 3.04
+? !!python/tuple
+- S
+- Yb
+: 3.0
+? !!python/tuple
+- S
+- Zn
+: 2.61
+? !!python/tuple
+- S
+- Zr
+: 2.9299999999999997
+? !!python/tuple
+- Sb
+- Au
+: 3.32
+? !!python/tuple
+- Sb
+- Ba
+: 3.16
+? !!python/tuple
+- Sb
+- Bi
+: 3.36
+? !!python/tuple
+- Sb
+- Ce
+: 3.62
+? !!python/tuple
+- Sb
+- Cs
+: 3.49
+? !!python/tuple
+- Sb
+- Dy
+: 3.4299999999999997
+? !!python/tuple
+- Sb
+- Er
+: 3.44
+? !!python/tuple
+- Sb
+- Eu
+: 3.4699999999999998
+? !!python/tuple
+- Sb
+- Gd
+: 3.4299999999999997
+? !!python/tuple
+- Sb
+- Hf
+: 3.37
+? !!python/tuple
+- Sb
+- Hg
+: 3.5199999999999996
+? !!python/tuple
+- Sb
+- Ho
+: 3.2699999999999996
+? !!python/tuple
+- Sb
+- I
+: 3.2199999999999998
+? !!python/tuple
+- Sb
+- Ir
+: 3.1399999999999997
+? !!python/tuple
+- Sb
+- La
+: 3.55
+? !!python/tuple
+- Sb
+- Lu
+: 3.5
+? !!python/tuple
+- Sb
+- Nd
+: 3.5599999999999996
+? !!python/tuple
+- Sb
+- Np
+: 3.37
+? !!python/tuple
+- Sb
+- Pb
+: 3.36
+? !!python/tuple
+- Sb
+- Pr
+: 3.3899999999999997
+? !!python/tuple
+- Sb
+- Pt
+: 3.3
+? !!python/tuple
+- Sb
+- Pu
+: 3.3499999999999996
+? !!python/tuple
+- Sb
+- Re
+: 2.9299999999999997
+? !!python/tuple
+- Sb
+- Sb
+: 3.28
+? !!python/tuple
+- Sb
+- Sm
+: 3.53
+? !!python/tuple
+- Sb
+- Tb
+: 3.46
+? !!python/tuple
+- Sb
+- Te
+: 3.29
+? !!python/tuple
+- Sb
+- Th
+: 3.61
+? !!python/tuple
+- Sb
+- Tm
+: 3.48
+? !!python/tuple
+- Sb
+- U
+: 3.4
+? !!python/tuple
+- Sb
+- W
+: 2.9699999999999998
+? !!python/tuple
+- Sb
+- Yb
+: 3.44
+? !!python/tuple
+- Sc
+- Ag
+: 3.18
+? !!python/tuple
+- Sc
+- As
+: 3.01
+? !!python/tuple
+- Sc
+- Au
+: 3.3
+? !!python/tuple
+- Sc
+- Ba
+: 3.14
+? !!python/tuple
+- Sc
+- Bi
+: 3.34
+? !!python/tuple
+- Sc
+- Br
+: 3.01
+? !!python/tuple
+- Sc
+- Cd
+: 3.18
+? !!python/tuple
+- Sc
+- Ce
+: 3.6
+? !!python/tuple
+- Sc
+- Co
+: 2.93
+? !!python/tuple
+- Sc
+- Cr
+: 3.1500000000000004
+? !!python/tuple
+- Sc
+- Cs
+: 3.47
+? !!python/tuple
+- Sc
+- Cu
+: 2.93
+? !!python/tuple
+- Sc
+- Dy
+: 3.41
+? !!python/tuple
+- Sc
+- Er
+: 3.42
+? !!python/tuple
+- Sc
+- Eu
+: 3.45
+? !!python/tuple
+- Sc
+- Fe
+: 3.05
+? !!python/tuple
+- Sc
+- Ga
+: 3.02
+? !!python/tuple
+- Sc
+- Gd
+: 3.41
+? !!python/tuple
+- Sc
+- Ge
+: 2.97
+? !!python/tuple
+- Sc
+- Hf
+: 3.35
+? !!python/tuple
+- Sc
+- Hg
+: 3.5
+? !!python/tuple
+- Sc
+- Ho
+: 3.25
+? !!python/tuple
+- Sc
+- I
+: 3.2
+? !!python/tuple
+- Sc
+- In
+: 3.1500000000000004
+? !!python/tuple
+- Sc
+- Ir
+: 3.12
+? !!python/tuple
+- Sc
+- La
+: 3.5300000000000002
+? !!python/tuple
+- Sc
+- Lu
+: 3.4800000000000004
+? !!python/tuple
+- Sc
+- Mn
+: 3.1500000000000004
+? !!python/tuple
+- Sc
+- Mo
+: 3.1900000000000004
+? !!python/tuple
+- Sc
+- Nb
+: 3.2800000000000002
+? !!python/tuple
+- Sc
+- Nd
+: 3.54
+? !!python/tuple
+- Sc
+- Ni
+: 2.95
+? !!python/tuple
+- Sc
+- Np
+: 3.35
+? !!python/tuple
+- Sc
+- Pb
+: 3.34
+? !!python/tuple
+- Sc
+- Pd
+: 3.3
+? !!python/tuple
+- Sc
+- Pr
+: 3.37
+? !!python/tuple
+- Sc
+- Pt
+: 3.2800000000000002
+? !!python/tuple
+- Sc
+- Pu
+: 3.33
+? !!python/tuple
+- Sc
+- Rb
+: 3.27
+? !!python/tuple
+- Sc
+- Re
+: 2.91
+? !!python/tuple
+- Sc
+- Rh
+: 3.25
+? !!python/tuple
+- Sc
+- Ru
+: 3.2
+? !!python/tuple
+- Sc
+- Sb
+: 3.26
+? !!python/tuple
+- Sc
+- Sc
+: 3.24
+? !!python/tuple
+- Sc
+- Se
+: 3.02
+? !!python/tuple
+- Sc
+- Sm
+: 3.51
+? !!python/tuple
+- Sc
+- Sn
+: 3.26
+? !!python/tuple
+- Sc
+- Sr
+: 2.92
+? !!python/tuple
+- Sc
+- Tb
+: 3.4400000000000004
+? !!python/tuple
+- Sc
+- Te
+: 3.27
+? !!python/tuple
+- Sc
+- Th
+: 3.59
+? !!python/tuple
+- Sc
+- Ti
+: 3.27
+? !!python/tuple
+- Sc
+- Tm
+: 3.46
+? !!python/tuple
+- Sc
+- U
+: 3.38
+? !!python/tuple
+- Sc
+- V
+: 3.13
+? !!python/tuple
+- Sc
+- W
+: 2.95
+? !!python/tuple
+- Sc
+- Y
+: 3.46
+? !!python/tuple
+- Sc
+- Yb
+: 3.42
+? !!python/tuple
+- Sc
+- Zn
+: 3.0300000000000002
+? !!python/tuple
+- Sc
+- Zr
+: 3.35
+? !!python/tuple
+- Se
+- Ag
+: 2.96
+? !!python/tuple
+- Se
+- Au
+: 3.08
+? !!python/tuple
+- Se
+- Ba
+: 2.92
+? !!python/tuple
+- Se
+- Bi
+: 3.12
+? !!python/tuple
+- Se
+- Br
+: 2.79
+? !!python/tuple
+- Se
+- Cd
+: 2.96
+? !!python/tuple
+- Se
+- Ce
+: 3.38
+? !!python/tuple
+- Se
+- Cs
+: 3.25
+? !!python/tuple
+- Se
+- Dy
+: 3.19
+? !!python/tuple
+- Se
+- Er
+: 3.2
+? !!python/tuple
+- Se
+- Eu
+: 3.23
+? !!python/tuple
+- Se
+- Gd
+: 3.19
+? !!python/tuple
+- Se
+- Hf
+: 3.13
+? !!python/tuple
+- Se
+- Hg
+: 3.28
+? !!python/tuple
+- Se
+- Ho
+: 3.03
+? !!python/tuple
+- Se
+- I
+: 2.98
+? !!python/tuple
+- Se
+- In
+: 2.9299999999999997
+? !!python/tuple
+- Se
+- Ir
+: 2.9
+? !!python/tuple
+- Se
+- La
+: 3.3099999999999996
+? !!python/tuple
+- Se
+- Lu
+: 3.26
+? !!python/tuple
+- Se
+- Mo
+: 2.9699999999999998
+? !!python/tuple
+- Se
+- Nb
+: 3.0599999999999996
+? !!python/tuple
+- Se
+- Nd
+: 3.32
+? !!python/tuple
+- Se
+- Np
+: 3.13
+? !!python/tuple
+- Se
+- Pb
+: 3.12
+? !!python/tuple
+- Se
+- Pd
+: 3.08
+? !!python/tuple
+- Se
+- Pr
+: 3.15
+? !!python/tuple
+- Se
+- Pt
+: 3.0599999999999996
+? !!python/tuple
+- Se
+- Pu
+: 3.11
+? !!python/tuple
+- Se
+- Rb
+: 3.05
+? !!python/tuple
+- Se
+- Re
+: 2.69
+? !!python/tuple
+- Se
+- Rh
+: 3.03
+? !!python/tuple
+- Se
+- Ru
+: 2.98
+? !!python/tuple
+- Se
+- Sb
+: 3.04
+? !!python/tuple
+- Se
+- Se
+: 2.8
+? !!python/tuple
+- Se
+- Sm
+: 3.29
+? !!python/tuple
+- Se
+- Sn
+: 3.04
+? !!python/tuple
+- Se
+- Sr
+: 2.7
+? !!python/tuple
+- Se
+- Tb
+: 3.2199999999999998
+? !!python/tuple
+- Se
+- Te
+: 3.05
+? !!python/tuple
+- Se
+- Th
+: 3.37
+? !!python/tuple
+- Se
+- Tm
+: 3.24
+? !!python/tuple
+- Se
+- U
+: 3.16
+? !!python/tuple
+- Se
+- W
+: 2.73
+? !!python/tuple
+- Se
+- Y
+: 3.24
+? !!python/tuple
+- Se
+- Yb
+: 3.2
+? !!python/tuple
+- Se
+- Zr
+: 3.13
+? !!python/tuple
+- Si
+- Ag
+: 2.94
+? !!python/tuple
+- Si
+- As
+: 2.7699999999999996
+? !!python/tuple
+- Si
+- Au
+: 3.0599999999999996
+? !!python/tuple
+- Si
+- Ba
+: 2.9
+? !!python/tuple
+- Si
+- Bi
+: 3.0999999999999996
+? !!python/tuple
+- Si
+- Br
+: 2.7699999999999996
+? !!python/tuple
+- Si
+- Ca
+: 2.55
+? !!python/tuple
+- Si
+- Cd
+: 2.94
+? !!python/tuple
+- Si
+- Ce
+: 3.36
+? !!python/tuple
+- Si
+- Cl
+: 2.55
+? !!python/tuple
+- Si
+- Co
+: 2.69
+? !!python/tuple
+- Si
+- Cr
+: 2.91
+? !!python/tuple
+- Si
+- Cs
+: 3.23
+? !!python/tuple
+- Si
+- Cu
+: 2.69
+? !!python/tuple
+- Si
+- Dy
+: 3.17
+? !!python/tuple
+- Si
+- Er
+: 3.1799999999999997
+? !!python/tuple
+- Si
+- Eu
+: 3.21
+? !!python/tuple
+- Si
+- Fe
+: 2.8099999999999996
+? !!python/tuple
+- Si
+- Ga
+: 2.78
+? !!python/tuple
+- Si
+- Gd
+: 3.17
+? !!python/tuple
+- Si
+- Ge
+: 2.73
+? !!python/tuple
+- Si
+- Hf
+: 3.11
+? !!python/tuple
+- Si
+- Hg
+: 3.26
+? !!python/tuple
+- Si
+- Ho
+: 3.01
+? !!python/tuple
+- Si
+- I
+: 2.96
+? !!python/tuple
+- Si
+- In
+: 2.91
+? !!python/tuple
+- Si
+- Ir
+: 2.88
+? !!python/tuple
+- Si
+- K
+: 2.82
+? !!python/tuple
+- Si
+- La
+: 3.29
+? !!python/tuple
+- Si
+- Lu
+: 3.24
+? !!python/tuple
+- Si
+- Mn
+: 2.91
+? !!python/tuple
+- Si
+- Mo
+: 2.95
+? !!python/tuple
+- Si
+- Nb
+: 3.04
+? !!python/tuple
+- Si
+- Nd
+: 3.3
+? !!python/tuple
+- Si
+- Ni
+: 2.71
+? !!python/tuple
+- Si
+- Np
+: 3.11
+? !!python/tuple
+- Si
+- P
+: 2.66
+? !!python/tuple
+- Si
+- Pb
+: 3.0999999999999996
+? !!python/tuple
+- Si
+- Pd
+: 3.0599999999999996
+? !!python/tuple
+- Si
+- Pr
+: 3.13
+? !!python/tuple
+- Si
+- Pt
+: 3.04
+? !!python/tuple
+- Si
+- Pu
+: 3.09
+? !!python/tuple
+- Si
+- Rb
+: 3.03
+? !!python/tuple
+- Si
+- Re
+: 2.67
+? !!python/tuple
+- Si
+- Rh
+: 3.01
+? !!python/tuple
+- Si
+- Ru
+: 2.96
+? !!python/tuple
+- Si
+- S
+: 2.58
+? !!python/tuple
+- Si
+- Sb
+: 3.0199999999999996
+? !!python/tuple
+- Si
+- Sc
+: 3.0
+? !!python/tuple
+- Si
+- Se
+: 2.78
+? !!python/tuple
+- Si
+- Si
+: 2.76
+? !!python/tuple
+- Si
+- Sm
+: 3.2699999999999996
+? !!python/tuple
+- Si
+- Sn
+: 3.0199999999999996
+? !!python/tuple
+- Si
+- Sr
+: 2.6799999999999997
+? !!python/tuple
+- Si
+- Tb
+: 3.2
+? !!python/tuple
+- Si
+- Te
+: 3.03
+? !!python/tuple
+- Si
+- Th
+: 3.3499999999999996
+? !!python/tuple
+- Si
+- Ti
+: 3.03
+? !!python/tuple
+- Si
+- Tm
+: 3.2199999999999998
+? !!python/tuple
+- Si
+- U
+: 3.1399999999999997
+? !!python/tuple
+- Si
+- V
+: 2.8899999999999997
+? !!python/tuple
+- Si
+- W
+: 2.71
+? !!python/tuple
+- Si
+- Y
+: 3.2199999999999998
+? !!python/tuple
+- Si
+- Yb
+: 3.1799999999999997
+? !!python/tuple
+- Si
+- Zn
+: 2.79
+? !!python/tuple
+- Si
+- Zr
+: 3.11
+? !!python/tuple
+- Sm
+- Au
+: 3.57
+? !!python/tuple
+- Sm
+- Bi
+: 3.61
+? !!python/tuple
+- Sm
+- Dy
+: 3.6799999999999997
+? !!python/tuple
+- Sm
+- Er
+: 3.69
+? !!python/tuple
+- Sm
+- Eu
+: 3.7199999999999998
+? !!python/tuple
+- Sm
+- Gd
+: 3.6799999999999997
+? !!python/tuple
+- Sm
+- Hf
+: 3.62
+? !!python/tuple
+- Sm
+- Hg
+: 3.7699999999999996
+? !!python/tuple
+- Sm
+- Ho
+: 3.5199999999999996
+? !!python/tuple
+- Sm
+- Ir
+: 3.3899999999999997
+? !!python/tuple
+- Sm
+- Lu
+: 3.75
+? !!python/tuple
+- Sm
+- Np
+: 3.62
+? !!python/tuple
+- Sm
+- Pb
+: 3.61
+? !!python/tuple
+- Sm
+- Pt
+: 3.55
+? !!python/tuple
+- Sm
+- Pu
+: 3.5999999999999996
+? !!python/tuple
+- Sm
+- Re
+: 3.1799999999999997
+? !!python/tuple
+- Sm
+- Sm
+: 3.78
+? !!python/tuple
+- Sm
+- Tb
+: 3.71
+? !!python/tuple
+- Sm
+- Th
+: 3.86
+? !!python/tuple
+- Sm
+- Tm
+: 3.73
+? !!python/tuple
+- Sm
+- U
+: 3.65
+? !!python/tuple
+- Sm
+- W
+: 3.2199999999999998
+? !!python/tuple
+- Sm
+- Yb
+: 3.69
+? !!python/tuple
+- Sn
+- Au
+: 3.32
+? !!python/tuple
+- Sn
+- Ba
+: 3.16
+? !!python/tuple
+- Sn
+- Bi
+: 3.36
+? !!python/tuple
+- Sn
+- Ce
+: 3.62
+? !!python/tuple
+- Sn
+- Cs
+: 3.49
+? !!python/tuple
+- Sn
+- Dy
+: 3.4299999999999997
+? !!python/tuple
+- Sn
+- Er
+: 3.44
+? !!python/tuple
+- Sn
+- Eu
+: 3.4699999999999998
+? !!python/tuple
+- Sn
+- Gd
+: 3.4299999999999997
+? !!python/tuple
+- Sn
+- Hf
+: 3.37
+? !!python/tuple
+- Sn
+- Hg
+: 3.5199999999999996
+? !!python/tuple
+- Sn
+- Ho
+: 3.2699999999999996
+? !!python/tuple
+- Sn
+- I
+: 3.2199999999999998
+? !!python/tuple
+- Sn
+- Ir
+: 3.1399999999999997
+? !!python/tuple
+- Sn
+- La
+: 3.55
+? !!python/tuple
+- Sn
+- Lu
+: 3.5
+? !!python/tuple
+- Sn
+- Nd
+: 3.5599999999999996
+? !!python/tuple
+- Sn
+- Np
+: 3.37
+? !!python/tuple
+- Sn
+- Pb
+: 3.36
+? !!python/tuple
+- Sn
+- Pr
+: 3.3899999999999997
+? !!python/tuple
+- Sn
+- Pt
+: 3.3
+? !!python/tuple
+- Sn
+- Pu
+: 3.3499999999999996
+? !!python/tuple
+- Sn
+- Re
+: 2.9299999999999997
+? !!python/tuple
+- Sn
+- Sb
+: 3.28
+? !!python/tuple
+- Sn
+- Sm
+: 3.53
+? !!python/tuple
+- Sn
+- Sn
+: 3.28
+? !!python/tuple
+- Sn
+- Tb
+: 3.46
+? !!python/tuple
+- Sn
+- Te
+: 3.29
+? !!python/tuple
+- Sn
+- Th
+: 3.61
+? !!python/tuple
+- Sn
+- Tm
+: 3.48
+? !!python/tuple
+- Sn
+- U
+: 3.4
+? !!python/tuple
+- Sn
+- W
+: 2.9699999999999998
+? !!python/tuple
+- Sn
+- Yb
+: 3.44
+? !!python/tuple
+- Sr
+- Ag
+: 2.8600000000000003
+? !!python/tuple
+- Sr
+- Au
+: 2.98
+? !!python/tuple
+- Sr
+- Ba
+: 2.8200000000000003
+? !!python/tuple
+- Sr
+- Bi
+: 3.02
+? !!python/tuple
+- Sr
+- Cd
+: 2.8600000000000003
+? !!python/tuple
+- Sr
+- Ce
+: 3.2800000000000002
+? !!python/tuple
+- Sr
+- Cs
+: 3.1500000000000004
+? !!python/tuple
+- Sr
+- Dy
+: 3.09
+? !!python/tuple
+- Sr
+- Er
+: 3.1
+? !!python/tuple
+- Sr
+- Eu
+: 3.13
+? !!python/tuple
+- Sr
+- Gd
+: 3.09
+? !!python/tuple
+- Sr
+- Hf
+: 3.0300000000000002
+? !!python/tuple
+- Sr
+- Hg
+: 3.1799999999999997
+? !!python/tuple
+- Sr
+- Ho
+: 2.9299999999999997
+? !!python/tuple
+- Sr
+- I
+: 2.88
+? !!python/tuple
+- Sr
+- In
+: 2.83
+? !!python/tuple
+- Sr
+- Ir
+: 2.8
+? !!python/tuple
+- Sr
+- La
+: 3.21
+? !!python/tuple
+- Sr
+- Lu
+: 3.16
+? !!python/tuple
+- Sr
+- Mo
+: 2.87
+? !!python/tuple
+- Sr
+- Nb
+: 2.96
+? !!python/tuple
+- Sr
+- Nd
+: 3.2199999999999998
+? !!python/tuple
+- Sr
+- Np
+: 3.0300000000000002
+? !!python/tuple
+- Sr
+- Pb
+: 3.02
+? !!python/tuple
+- Sr
+- Pd
+: 2.98
+? !!python/tuple
+- Sr
+- Pr
+: 3.05
+? !!python/tuple
+- Sr
+- Pt
+: 2.96
+? !!python/tuple
+- Sr
+- Pu
+: 3.01
+? !!python/tuple
+- Sr
+- Re
+: 2.59
+? !!python/tuple
+- Sr
+- Rh
+: 2.9299999999999997
+? !!python/tuple
+- Sr
+- Ru
+: 2.88
+? !!python/tuple
+- Sr
+- Sb
+: 2.94
+? !!python/tuple
+- Sr
+- Sm
+: 3.19
+? !!python/tuple
+- Sr
+- Sn
+: 2.94
+? !!python/tuple
+- Sr
+- Sr
+: 2.6
+? !!python/tuple
+- Sr
+- Tb
+: 3.12
+? !!python/tuple
+- Sr
+- Te
+: 2.95
+? !!python/tuple
+- Sr
+- Th
+: 3.27
+? !!python/tuple
+- Sr
+- Tm
+: 3.14
+? !!python/tuple
+- Sr
+- U
+: 3.06
+? !!python/tuple
+- Sr
+- W
+: 2.63
+? !!python/tuple
+- Sr
+- Y
+: 3.14
+? !!python/tuple
+- Sr
+- Yb
+: 3.1
+? !!python/tuple
+- Sr
+- Zr
+: 3.0300000000000002
+? !!python/tuple
+- Tb
+- Au
+: 3.5
+? !!python/tuple
+- Tb
+- Bi
+: 3.54
+? !!python/tuple
+- Tb
+- Dy
+: 3.6100000000000003
+? !!python/tuple
+- Tb
+- Er
+: 3.62
+? !!python/tuple
+- Tb
+- Hf
+: 3.55
+? !!python/tuple
+- Tb
+- Hg
+: 3.7
+? !!python/tuple
+- Tb
+- Ho
+: 3.45
+? !!python/tuple
+- Tb
+- Ir
+: 3.3200000000000003
+? !!python/tuple
+- Tb
+- Lu
+: 3.68
+? !!python/tuple
+- Tb
+- Np
+: 3.55
+? !!python/tuple
+- Tb
+- Pb
+: 3.54
+? !!python/tuple
+- Tb
+- Pt
+: 3.48
+? !!python/tuple
+- Tb
+- Pu
+: 3.5300000000000002
+? !!python/tuple
+- Tb
+- Re
+: 3.1100000000000003
+? !!python/tuple
+- Tb
+- Tb
+: 3.64
+? !!python/tuple
+- Tb
+- Th
+: 3.79
+? !!python/tuple
+- Tb
+- Tm
+: 3.66
+? !!python/tuple
+- Tb
+- U
+: 3.58
+? !!python/tuple
+- Tb
+- W
+: 3.1500000000000004
+? !!python/tuple
+- Tb
+- Yb
+: 3.62
+? !!python/tuple
+- Te
+- Au
+: 3.33
+? !!python/tuple
+- Te
+- Ba
+: 3.17
+? !!python/tuple
+- Te
+- Bi
+: 3.37
+? !!python/tuple
+- Te
+- Ce
+: 3.63
+? !!python/tuple
+- Te
+- Cs
+: 3.5
+? !!python/tuple
+- Te
+- Dy
+: 3.44
+? !!python/tuple
+- Te
+- Er
+: 3.45
+? !!python/tuple
+- Te
+- Eu
+: 3.48
+? !!python/tuple
+- Te
+- Gd
+: 3.44
+? !!python/tuple
+- Te
+- Hf
+: 3.38
+? !!python/tuple
+- Te
+- Hg
+: 3.53
+? !!python/tuple
+- Te
+- Ho
+: 3.28
+? !!python/tuple
+- Te
+- I
+: 3.23
+? !!python/tuple
+- Te
+- Ir
+: 3.15
+? !!python/tuple
+- Te
+- La
+: 3.5599999999999996
+? !!python/tuple
+- Te
+- Lu
+: 3.51
+? !!python/tuple
+- Te
+- Nd
+: 3.57
+? !!python/tuple
+- Te
+- Np
+: 3.38
+? !!python/tuple
+- Te
+- Pb
+: 3.37
+? !!python/tuple
+- Te
+- Pr
+: 3.4
+? !!python/tuple
+- Te
+- Pt
+: 3.3099999999999996
+? !!python/tuple
+- Te
+- Pu
+: 3.36
+? !!python/tuple
+- Te
+- Re
+: 2.94
+? !!python/tuple
+- Te
+- Sm
+: 3.54
+? !!python/tuple
+- Te
+- Tb
+: 3.4699999999999998
+? !!python/tuple
+- Te
+- Te
+: 3.3
+? !!python/tuple
+- Te
+- Th
+: 3.62
+? !!python/tuple
+- Te
+- Tm
+: 3.49
+? !!python/tuple
+- Te
+- U
+: 3.41
+? !!python/tuple
+- Te
+- W
+: 2.98
+? !!python/tuple
+- Te
+- Yb
+: 3.45
+? !!python/tuple
+- Th
+- Np
+: 3.7
+? !!python/tuple
+- Th
+- Pu
+: 3.6799999999999997
+? !!python/tuple
+- Th
+- Th
+: 3.94
+? !!python/tuple
+- Th
+- U
+: 3.73
+? !!python/tuple
+- Ti
+- Ag
+: 3.21
+? !!python/tuple
+- Ti
+- As
+: 3.04
+? !!python/tuple
+- Ti
+- Au
+: 3.33
+? !!python/tuple
+- Ti
+- Ba
+: 3.17
+? !!python/tuple
+- Ti
+- Bi
+: 3.37
+? !!python/tuple
+- Ti
+- Br
+: 3.04
+? !!python/tuple
+- Ti
+- Cd
+: 3.21
+? !!python/tuple
+- Ti
+- Ce
+: 3.63
+? !!python/tuple
+- Ti
+- Co
+: 2.96
+? !!python/tuple
+- Ti
+- Cr
+: 3.1799999999999997
+? !!python/tuple
+- Ti
+- Cs
+: 3.5
+? !!python/tuple
+- Ti
+- Cu
+: 2.96
+? !!python/tuple
+- Ti
+- Dy
+: 3.44
+? !!python/tuple
+- Ti
+- Er
+: 3.45
+? !!python/tuple
+- Ti
+- Eu
+: 3.48
+? !!python/tuple
+- Ti
+- Fe
+: 3.08
+? !!python/tuple
+- Ti
+- Ga
+: 3.05
+? !!python/tuple
+- Ti
+- Gd
+: 3.44
+? !!python/tuple
+- Ti
+- Ge
+: 3.0
+? !!python/tuple
+- Ti
+- Hf
+: 3.38
+? !!python/tuple
+- Ti
+- Hg
+: 3.53
+? !!python/tuple
+- Ti
+- Ho
+: 3.28
+? !!python/tuple
+- Ti
+- I
+: 3.23
+? !!python/tuple
+- Ti
+- In
+: 3.1799999999999997
+? !!python/tuple
+- Ti
+- Ir
+: 3.15
+? !!python/tuple
+- Ti
+- La
+: 3.5599999999999996
+? !!python/tuple
+- Ti
+- Lu
+: 3.51
+? !!python/tuple
+- Ti
+- Mn
+: 3.1799999999999997
+? !!python/tuple
+- Ti
+- Mo
+: 3.2199999999999998
+? !!python/tuple
+- Ti
+- Nb
+: 3.3099999999999996
+? !!python/tuple
+- Ti
+- Nd
+: 3.57
+? !!python/tuple
+- Ti
+- Ni
+: 2.98
+? !!python/tuple
+- Ti
+- Np
+: 3.38
+? !!python/tuple
+- Ti
+- Pb
+: 3.37
+? !!python/tuple
+- Ti
+- Pd
+: 3.33
+? !!python/tuple
+- Ti
+- Pr
+: 3.4
+? !!python/tuple
+- Ti
+- Pt
+: 3.3099999999999996
+? !!python/tuple
+- Ti
+- Pu
+: 3.36
+? !!python/tuple
+- Ti
+- Rb
+: 3.3
+? !!python/tuple
+- Ti
+- Re
+: 2.94
+? !!python/tuple
+- Ti
+- Rh
+: 3.28
+? !!python/tuple
+- Ti
+- Ru
+: 3.23
+? !!python/tuple
+- Ti
+- Sb
+: 3.29
+? !!python/tuple
+- Ti
+- Se
+: 3.05
+? !!python/tuple
+- Ti
+- Sm
+: 3.54
+? !!python/tuple
+- Ti
+- Sn
+: 3.29
+? !!python/tuple
+- Ti
+- Sr
+: 2.95
+? !!python/tuple
+- Ti
+- Tb
+: 3.4699999999999998
+? !!python/tuple
+- Ti
+- Te
+: 3.3
+? !!python/tuple
+- Ti
+- Th
+: 3.62
+? !!python/tuple
+- Ti
+- Ti
+: 3.3
+? !!python/tuple
+- Ti
+- Tm
+: 3.49
+? !!python/tuple
+- Ti
+- U
+: 3.41
+? !!python/tuple
+- Ti
+- V
+: 3.16
+? !!python/tuple
+- Ti
+- W
+: 2.98
+? !!python/tuple
+- Ti
+- Y
+: 3.49
+? !!python/tuple
+- Ti
+- Yb
+: 3.45
+? !!python/tuple
+- Ti
+- Zn
+: 3.0599999999999996
+? !!python/tuple
+- Ti
+- Zr
+: 3.38
+? !!python/tuple
+- Tm
+- Au
+: 3.52
+? !!python/tuple
+- Tm
+- Bi
+: 3.56
+? !!python/tuple
+- Tm
+- Hf
+: 3.5700000000000003
+? !!python/tuple
+- Tm
+- Hg
+: 3.7199999999999998
+? !!python/tuple
+- Tm
+- Ir
+: 3.34
+? !!python/tuple
+- Tm
+- Lu
+: 3.7
+? !!python/tuple
+- Tm
+- Np
+: 3.5700000000000003
+? !!python/tuple
+- Tm
+- Pb
+: 3.56
+? !!python/tuple
+- Tm
+- Pt
+: 3.5
+? !!python/tuple
+- Tm
+- Pu
+: 3.55
+? !!python/tuple
+- Tm
+- Re
+: 3.13
+? !!python/tuple
+- Tm
+- Th
+: 3.81
+? !!python/tuple
+- Tm
+- Tm
+: 3.68
+? !!python/tuple
+- Tm
+- U
+: 3.6
+? !!python/tuple
+- Tm
+- W
+: 3.17
+? !!python/tuple
+- Tm
+- Yb
+: 3.64
+? !!python/tuple
+- U
+- Np
+: 3.49
+? !!python/tuple
+- U
+- Pu
+: 3.4699999999999998
+? !!python/tuple
+- U
+- U
+: 3.52
+? !!python/tuple
+- V
+- Ag
+: 3.0700000000000003
+? !!python/tuple
+- V
+- As
+: 2.9
+? !!python/tuple
+- V
+- Au
+: 3.19
+? !!python/tuple
+- V
+- Ba
+: 3.0300000000000002
+? !!python/tuple
+- V
+- Bi
+: 3.23
+? !!python/tuple
+- V
+- Br
+: 2.9
+? !!python/tuple
+- V
+- Cd
+: 3.0700000000000003
+? !!python/tuple
+- V
+- Ce
+: 3.49
+? !!python/tuple
+- V
+- Co
+: 2.8200000000000003
+? !!python/tuple
+- V
+- Cr
+: 3.04
+? !!python/tuple
+- V
+- Cs
+: 3.3600000000000003
+? !!python/tuple
+- V
+- Cu
+: 2.8200000000000003
+? !!python/tuple
+- V
+- Dy
+: 3.3
+? !!python/tuple
+- V
+- Er
+: 3.31
+? !!python/tuple
+- V
+- Eu
+: 3.34
+? !!python/tuple
+- V
+- Fe
+: 2.94
+? !!python/tuple
+- V
+- Ga
+: 2.91
+? !!python/tuple
+- V
+- Gd
+: 3.3
+? !!python/tuple
+- V
+- Ge
+: 2.8600000000000003
+? !!python/tuple
+- V
+- Hf
+: 3.24
+? !!python/tuple
+- V
+- Hg
+: 3.3899999999999997
+? !!python/tuple
+- V
+- Ho
+: 3.1399999999999997
+? !!python/tuple
+- V
+- I
+: 3.09
+? !!python/tuple
+- V
+- In
+: 3.04
+? !!python/tuple
+- V
+- Ir
+: 3.01
+? !!python/tuple
+- V
+- La
+: 3.42
+? !!python/tuple
+- V
+- Lu
+: 3.37
+? !!python/tuple
+- V
+- Mn
+: 3.04
+? !!python/tuple
+- V
+- Mo
+: 3.08
+? !!python/tuple
+- V
+- Nb
+: 3.17
+? !!python/tuple
+- V
+- Nd
+: 3.4299999999999997
+? !!python/tuple
+- V
+- Ni
+: 2.84
+? !!python/tuple
+- V
+- Np
+: 3.24
+? !!python/tuple
+- V
+- Pb
+: 3.23
+? !!python/tuple
+- V
+- Pd
+: 3.19
+? !!python/tuple
+- V
+- Pr
+: 3.26
+? !!python/tuple
+- V
+- Pt
+: 3.17
+? !!python/tuple
+- V
+- Pu
+: 3.2199999999999998
+? !!python/tuple
+- V
+- Rb
+: 3.16
+? !!python/tuple
+- V
+- Re
+: 2.8
+? !!python/tuple
+- V
+- Rh
+: 3.1399999999999997
+? !!python/tuple
+- V
+- Ru
+: 3.09
+? !!python/tuple
+- V
+- Sb
+: 3.15
+? !!python/tuple
+- V
+- Se
+: 2.91
+? !!python/tuple
+- V
+- Sm
+: 3.4
+? !!python/tuple
+- V
+- Sn
+: 3.15
+? !!python/tuple
+- V
+- Sr
+: 2.81
+? !!python/tuple
+- V
+- Tb
+: 3.33
+? !!python/tuple
+- V
+- Te
+: 3.16
+? !!python/tuple
+- V
+- Th
+: 3.48
+? !!python/tuple
+- V
+- Tm
+: 3.35
+? !!python/tuple
+- V
+- U
+: 3.27
+? !!python/tuple
+- V
+- V
+: 3.02
+? !!python/tuple
+- V
+- W
+: 2.84
+? !!python/tuple
+- V
+- Y
+: 3.35
+? !!python/tuple
+- V
+- Yb
+: 3.31
+? !!python/tuple
+- V
+- Zn
+: 2.92
+? !!python/tuple
+- V
+- Zr
+: 3.24
+? !!python/tuple
+- W
+- Au
+: 3.01
+? !!python/tuple
+- W
+- Bi
+: 3.05
+? !!python/tuple
+- W
+- Hg
+: 3.21
+? !!python/tuple
+- W
+- Ir
+: 2.83
+? !!python/tuple
+- W
+- Np
+: 3.06
+? !!python/tuple
+- W
+- Pb
+: 3.05
+? !!python/tuple
+- W
+- Pt
+: 2.99
+? !!python/tuple
+- W
+- Pu
+: 3.04
+? !!python/tuple
+- W
+- Re
+: 2.62
+? !!python/tuple
+- W
+- Th
+: 3.3
+? !!python/tuple
+- W
+- U
+: 3.09
+? !!python/tuple
+- W
+- W
+: 2.66
+? !!python/tuple
+- Y
+- Ag
+: 3.4000000000000004
+? !!python/tuple
+- Y
+- Au
+: 3.52
+? !!python/tuple
+- Y
+- Ba
+: 3.3600000000000003
+? !!python/tuple
+- Y
+- Bi
+: 3.56
+? !!python/tuple
+- Y
+- Cd
+: 3.4000000000000004
+? !!python/tuple
+- Y
+- Ce
+: 3.8200000000000003
+? !!python/tuple
+- Y
+- Cs
+: 3.6900000000000004
+? !!python/tuple
+- Y
+- Dy
+: 3.63
+? !!python/tuple
+- Y
+- Er
+: 3.64
+? !!python/tuple
+- Y
+- Eu
+: 3.67
+? !!python/tuple
+- Y
+- Gd
+: 3.63
+? !!python/tuple
+- Y
+- Hf
+: 3.5700000000000003
+? !!python/tuple
+- Y
+- Hg
+: 3.7199999999999998
+? !!python/tuple
+- Y
+- Ho
+: 3.4699999999999998
+? !!python/tuple
+- Y
+- I
+: 3.42
+? !!python/tuple
+- Y
+- In
+: 3.37
+? !!python/tuple
+- Y
+- Ir
+: 3.34
+? !!python/tuple
+- Y
+- La
+: 3.75
+? !!python/tuple
+- Y
+- Lu
+: 3.7
+? !!python/tuple
+- Y
+- Mo
+: 3.41
+? !!python/tuple
+- Y
+- Nb
+: 3.5
+? !!python/tuple
+- Y
+- Nd
+: 3.76
+? !!python/tuple
+- Y
+- Np
+: 3.5700000000000003
+? !!python/tuple
+- Y
+- Pb
+: 3.56
+? !!python/tuple
+- Y
+- Pd
+: 3.52
+? !!python/tuple
+- Y
+- Pr
+: 3.59
+? !!python/tuple
+- Y
+- Pt
+: 3.5
+? !!python/tuple
+- Y
+- Pu
+: 3.55
+? !!python/tuple
+- Y
+- Re
+: 3.13
+? !!python/tuple
+- Y
+- Rh
+: 3.4699999999999998
+? !!python/tuple
+- Y
+- Ru
+: 3.42
+? !!python/tuple
+- Y
+- Sb
+: 3.48
+? !!python/tuple
+- Y
+- Sm
+: 3.73
+? !!python/tuple
+- Y
+- Sn
+: 3.48
+? !!python/tuple
+- Y
+- Tb
+: 3.66
+? !!python/tuple
+- Y
+- Te
+: 3.49
+? !!python/tuple
+- Y
+- Th
+: 3.81
+? !!python/tuple
+- Y
+- Tm
+: 3.68
+? !!python/tuple
+- Y
+- U
+: 3.6
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+- Y
+- W
+: 3.17
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+- Y
+- Y
+: 3.68
+? !!python/tuple
+- Y
+- Yb
+: 3.64
+? !!python/tuple
+- Y
+- Zr
+: 3.5700000000000003
+? !!python/tuple
+- Yb
+- Au
+: 3.48
+? !!python/tuple
+- Yb
+- Bi
+: 3.52
+? !!python/tuple
+- Yb
+- Hf
+: 3.5300000000000002
+? !!python/tuple
+- Yb
+- Hg
+: 3.6799999999999997
+? !!python/tuple
+- Yb
+- Ir
+: 3.3
+? !!python/tuple
+- Yb
+- Lu
+: 3.66
+? !!python/tuple
+- Yb
+- Np
+: 3.5300000000000002
+? !!python/tuple
+- Yb
+- Pb
+: 3.52
+? !!python/tuple
+- Yb
+- Pt
+: 3.46
+? !!python/tuple
+- Yb
+- Pu
+: 3.51
+? !!python/tuple
+- Yb
+- Re
+: 3.09
+? !!python/tuple
+- Yb
+- Th
+: 3.77
+? !!python/tuple
+- Yb
+- U
+: 3.56
+? !!python/tuple
+- Yb
+- W
+: 3.13
+? !!python/tuple
+- Yb
+- Yb
+: 3.6
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+- Zn
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+: 2.9699999999999998
+? !!python/tuple
+- Zn
+- As
+: 2.8
+? !!python/tuple
+- Zn
+- Au
+: 3.09
+? !!python/tuple
+- Zn
+- Ba
+: 2.9299999999999997
+? !!python/tuple
+- Zn
+- Bi
+: 3.13
+? !!python/tuple
+- Zn
+- Br
+: 2.8
+? !!python/tuple
+- Zn
+- Cd
+: 2.9699999999999998
+? !!python/tuple
+- Zn
+- Ce
+: 3.3899999999999997
+? !!python/tuple
+- Zn
+- Cs
+: 3.26
+? !!python/tuple
+- Zn
+- Dy
+: 3.2
+? !!python/tuple
+- Zn
+- Er
+: 3.21
+? !!python/tuple
+- Zn
+- Eu
+: 3.24
+? !!python/tuple
+- Zn
+- Ga
+: 2.8099999999999996
+? !!python/tuple
+- Zn
+- Gd
+: 3.2
+? !!python/tuple
+- Zn
+- Ge
+: 2.76
+? !!python/tuple
+- Zn
+- Hf
+: 3.1399999999999997
+? !!python/tuple
+- Zn
+- Hg
+: 3.29
+? !!python/tuple
+- Zn
+- Ho
+: 3.04
+? !!python/tuple
+- Zn
+- I
+: 2.99
+? !!python/tuple
+- Zn
+- In
+: 2.94
+? !!python/tuple
+- Zn
+- Ir
+: 2.91
+? !!python/tuple
+- Zn
+- La
+: 3.32
+? !!python/tuple
+- Zn
+- Lu
+: 3.27
+? !!python/tuple
+- Zn
+- Mo
+: 2.98
+? !!python/tuple
+- Zn
+- Nb
+: 3.07
+? !!python/tuple
+- Zn
+- Nd
+: 3.33
+? !!python/tuple
+- Zn
+- Np
+: 3.1399999999999997
+? !!python/tuple
+- Zn
+- Pb
+: 3.13
+? !!python/tuple
+- Zn
+- Pd
+: 3.09
+? !!python/tuple
+- Zn
+- Pr
+: 3.16
+? !!python/tuple
+- Zn
+- Pt
+: 3.07
+? !!python/tuple
+- Zn
+- Pu
+: 3.12
+? !!python/tuple
+- Zn
+- Rb
+: 3.0599999999999996
+? !!python/tuple
+- Zn
+- Re
+: 2.7
+? !!python/tuple
+- Zn
+- Rh
+: 3.04
+? !!python/tuple
+- Zn
+- Ru
+: 2.99
+? !!python/tuple
+- Zn
+- Sb
+: 3.05
+? !!python/tuple
+- Zn
+- Se
+: 2.8099999999999996
+? !!python/tuple
+- Zn
+- Sm
+: 3.3
+? !!python/tuple
+- Zn
+- Sn
+: 3.05
+? !!python/tuple
+- Zn
+- Sr
+: 2.71
+? !!python/tuple
+- Zn
+- Tb
+: 3.23
+? !!python/tuple
+- Zn
+- Te
+: 3.0599999999999996
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+- Zn
+- Th
+: 3.38
+? !!python/tuple
+- Zn
+- Tm
+: 3.25
+? !!python/tuple
+- Zn
+- U
+: 3.17
+? !!python/tuple
+- Zn
+- W
+: 2.74
+? !!python/tuple
+- Zn
+- Y
+: 3.25
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+- Zn
+- Yb
+: 3.21
+? !!python/tuple
+- Zn
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+: 2.82
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+- Zn
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+: 3.1399999999999997
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+- Zr
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+: 3.29
+? !!python/tuple
+- Zr
+- Au
+: 3.41
+? !!python/tuple
+- Zr
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+: 3.25
+? !!python/tuple
+- Zr
+- Bi
+: 3.45
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+- Zr
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+: 3.29
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+- Zr
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+: 3.71
+? !!python/tuple
+- Zr
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+: 3.58
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+- Zr
+- Dy
+: 3.52
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+- Zr
+- Er
+: 3.5300000000000002
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+- Zr
+- Eu
+: 3.56
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+- Zr
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+: 3.52
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+- Zr
+- Hf
+: 3.46
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+- Zr
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+: 3.61
+? !!python/tuple
+- Zr
+- Ho
+: 3.36
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+- Zr
+- I
+: 3.31
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+- Zr
+- In
+: 3.26
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+- Zr
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+: 3.23
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+- Zr
+- La
+: 3.6399999999999997
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+- Zr
+- Lu
+: 3.59
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+- Zr
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+: 3.3
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+- Zr
+- Nd
+: 3.65
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+- Zr
+- Np
+: 3.46
+? !!python/tuple
+- Zr
+- Pb
+: 3.45
+? !!python/tuple
+- Zr
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+: 3.41
+? !!python/tuple
+- Zr
+- Pr
+: 3.48
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+- Zr
+- Pt
+: 3.3899999999999997
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+- Zr
+- Pu
+: 3.44
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+- Zr
+- Re
+: 3.02
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+- Zr
+- Rh
+: 3.36
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+- Zr
+- Ru
+: 3.31
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+- Zr
+- Sb
+: 3.37
+? !!python/tuple
+- Zr
+- Sm
+: 3.62
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+- Zr
+- Sn
+: 3.37
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+- Zr
+- Tb
+: 3.55
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+- Zr
+- Te
+: 3.38
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+- Zr
+- Th
+: 3.7
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+- Zr
+- Tm
+: 3.5700000000000003
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+- Zr
+- U
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+- Zr
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+: 3.06
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+- Zr
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+: 3.46
diff --git a/mofchecker/graph/li_radii.yml b/mofchecker/graph/li_radii.yml
new file mode 100644
index 0000000..b83bb0a
--- /dev/null
+++ b/mofchecker/graph/li_radii.yml
@@ -0,0 +1,20200 @@
+? !!python/tuple
+- Ac
+- Ac
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+- Ac
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+- Ac
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+? !!python/tuple
+- C
+- U
+: 3.0222222222222217
+? !!python/tuple
+- C
+- V
+: 2.4105263157894736
+? !!python/tuple
+- C
+- W
+: 2.5052631578947366
+? !!python/tuple
+- C
+- Xe
+: 2.4
+? !!python/tuple
+- C
+- Y
+: 2.8000000000000003
+? !!python/tuple
+- C
+- Yb
+: 2.768421052631579
+? !!python/tuple
+- C
+- Zn
+: 2.0842105263157897
+? !!python/tuple
+- C
+- Zr
+: 2.3789473684210525
+? !!python/tuple
+- C_1
+- Ac
+: 3.1555555555555554
+? !!python/tuple
+- C_1
+- Ag
+: 2.3777777777777773
+? !!python/tuple
+- C_1
+- Al
+: 2.111111111111111
+? !!python/tuple
+- C_1
+- Am
+: 2.766666666666667
+? !!python/tuple
+- C_1
+- Ar
+: 1.9444444444444444
+? !!python/tuple
+- C_1
+- As
+: 2.0888888888888886
+? !!python/tuple
+- C_1
+- At
+: 2.433333333333333
+? !!python/tuple
+- C_1
+- Au
+: 2.2777777777777777
+? !!python/tuple
+- C_1
+- Ba
+: 3.1555555555555554
+? !!python/tuple
+- C_1
+- Bi
+: 2.411111111111111
+? !!python/tuple
+- C_1
+- Br
+: 2.0999999999999996
+? !!python/tuple
+- C_1
+- C_1
+: 1.5333333333333332
+? !!python/tuple
+- C_1
+- C_2
+: 1.5777777777777777
+? !!python/tuple
+- C_1
+- C_3
+: 1.611111111111111
+? !!python/tuple
+- C_1
+- C_R
+: 1.5777777777777777
+? !!python/tuple
+- C_1
+- Ca
+: 2.7222222222222223
+? !!python/tuple
+- C_1
+- Cd
+: 2.3666666666666667
+? !!python/tuple
+- C_1
+- Ce
+: 2.873684210526316
+? !!python/tuple
+- C_1
+- Cl
+: 1.9
+? !!python/tuple
+- C_1
+- Cm
+: 2.6444444444444444
+? !!python/tuple
+- C_1
+- Co
+: 2.433333333333333
+? !!python/tuple
+- C_1
+- Cr
+: 2.3111111111111113
+? !!python/tuple
+- C_1
+- Cs
+: 3.4777777777777774
+? !!python/tuple
+- C_1
+- Cu
+: 2.233333333333333
+? !!python/tuple
+- C_1
+- Dy
+: 2.7473684210526317
+? !!python/tuple
+- C_1
+- Er
+: 2.7157894736842105
+? !!python/tuple
+- C_1
+- Eu
+: 2.8105263157894735
+? !!python/tuple
+- C_1
+- F
+: 1.3999999999999997
+? !!python/tuple
+- C_1
+- Fe
+: 2.4555555555555553
+? !!python/tuple
+- C_1
+- Fr
+: 3.6555555555555554
+? !!python/tuple
+- C_1
+- Ga
+: 2.1222222222222222
+? !!python/tuple
+- C_1
+- Gd
+: 2.7894736842105265
+? !!python/tuple
+- C_1
+- Ge
+: 2.0999999999999996
+? !!python/tuple
+- C_1
+- Hf
+: 2.711111111111111
+? !!python/tuple
+- C_1
+- Hg
+: 2.233333333333333
+? !!python/tuple
+- C_1
+- Ho
+: 2.7473684210526317
+? !!python/tuple
+- C_1
+- I
+: 2.3111111111111113
+? !!python/tuple
+- C_1
+- In
+: 2.344444444444444
+? !!python/tuple
+- C_1
+- Ir
+: 2.333333333333333
+? !!python/tuple
+- C_1
+- K
+: 2.863157894736842
+? !!python/tuple
+- C_1
+- Kr
+: 2.0555555555555554
+? !!python/tuple
+- C_1
+- La
+: 2.9052631578947365
+? !!python/tuple
+- C_1
+- Lu
+: 2.6947368421052635
+? !!python/tuple
+- C_1
+- Mg
+: 2.333333333333333
+? !!python/tuple
+- C_1
+- Mn
+: 2.5555555555555554
+? !!python/tuple
+- C_1
+- Mo
+: 2.477777777777778
+? !!python/tuple
+- C_1
+- N
+: 1.5555555555555554
+? !!python/tuple
+- C_1
+- Na
+: 2.6111111111111107
+? !!python/tuple
+- C_1
+- Nb
+: 2.588888888888889
+? !!python/tuple
+- C_1
+- Nd
+: 2.8421052631578947
+? !!python/tuple
+- C_1
+- Ne
+: 1.4111111111111112
+? !!python/tuple
+- C_1
+- Ni
+: 2.1444444444444444
+? !!python/tuple
+- C_1
+- Np
+: 2.8777777777777778
+? !!python/tuple
+- C_1
+- O
+: 1.5
+? !!python/tuple
+- C_1
+- Os
+: 2.3666666666666667
+? !!python/tuple
+- C_1
+- P
+: 1.9555555555555555
+? !!python/tuple
+- C_1
+- Pa
+: 2.988888888888889
+? !!python/tuple
+- C_1
+- Pb
+: 2.388888888888889
+? !!python/tuple
+- C_1
+- Pd
+: 2.3111111111111113
+? !!python/tuple
+- C_1
+- Pm
+: 2.8210526315789473
+? !!python/tuple
+- C_1
+- Po
+: 2.322222222222222
+? !!python/tuple
+- C_1
+- Pr
+: 2.863157894736842
+? !!python/tuple
+- C_1
+- Pt
+: 2.2777777777777777
+? !!python/tuple
+- C_1
+- Pu
+: 2.8444444444444446
+? !!python/tuple
+- C_1
+- Ra
+: 3.222222222222222
+? !!python/tuple
+- C_1
+- Rb
+: 3.2111111111111112
+? !!python/tuple
+- C_1
+- Re
+: 2.4444444444444446
+? !!python/tuple
+- C_1
+- Rh
+: 2.344444444444444
+? !!python/tuple
+- C_1
+- Rn
+: 2.433333333333333
+? !!python/tuple
+- C_1
+- Ru
+: 2.388888888888889
+? !!python/tuple
+- C_1
+- S
+: 1.9333333333333333
+? !!python/tuple
+- C_1
+- Sb
+: 2.3111111111111113
+? !!python/tuple
+- C_1
+- Sc
+: 2.655555555555555
+? !!python/tuple
+- C_1
+- Se
+: 2.0999999999999996
+? !!python/tuple
+- C_1
+- Si
+: 2.0
+? !!python/tuple
+- C_1
+- Sm
+: 2.8105263157894735
+? !!python/tuple
+- C_1
+- Sn
+: 2.3111111111111113
+? !!python/tuple
+- C_1
+- Sr
+: 2.933333333333333
+? !!python/tuple
+- C_1
+- Ta
+: 2.655555555555555
+? !!python/tuple
+- C_1
+- Tb
+: 2.768421052631579
+? !!python/tuple
+- C_1
+- Tc
+: 2.4
+? !!python/tuple
+- C_1
+- Te
+: 2.3
+? !!python/tuple
+- C_1
+- Th
+: 3.0555555555555554
+? !!python/tuple
+- C_1
+- Ti
+: 2.5444444444444443
+? !!python/tuple
+- C_1
+- Tl
+: 2.3777777777777773
+? !!python/tuple
+- C_1
+- Tm
+: 2.7263157894736842
+? !!python/tuple
+- C_1
+- U
+: 2.944444444444444
+? !!python/tuple
+- C_1
+- V
+: 2.4666666666666663
+? !!python/tuple
+- C_1
+- W
+: 2.566666666666667
+? !!python/tuple
+- C_1
+- Xe
+: 2.322222222222222
+? !!python/tuple
+- C_1
+- Y
+: 2.8777777777777778
+? !!python/tuple
+- C_1
+- Yb
+: 2.6947368421052635
+? !!python/tuple
+- C_1
+- Zn
+: 2.1222222222222222
+? !!python/tuple
+- C_1
+- Zr
+: 2.433333333333333
+? !!python/tuple
+- C_2
+- Ac
+: 3.1999999999999997
+? !!python/tuple
+- C_2
+- Ag
+: 2.422222222222222
+? !!python/tuple
+- C_2
+- Al
+: 2.1555555555555554
+? !!python/tuple
+- C_2
+- Am
+: 2.8111111111111113
+? !!python/tuple
+- C_2
+- Ar
+: 1.988888888888889
+? !!python/tuple
+- C_2
+- As
+: 2.1333333333333333
+? !!python/tuple
+- C_2
+- At
+: 2.477777777777778
+? !!python/tuple
+- C_2
+- Au
+: 2.322222222222222
+? !!python/tuple
+- C_2
+- Ba
+: 3.1999999999999997
+? !!python/tuple
+- C_2
+- Bi
+: 2.4555555555555553
+? !!python/tuple
+- C_2
+- Br
+: 2.1444444444444444
+? !!python/tuple
+- C_2
+- C_2
+: 1.6222222222222222
+? !!python/tuple
+- C_2
+- C_3
+: 1.6555555555555554
+? !!python/tuple
+- C_2
+- C_R
+: 1.6222222222222222
+? !!python/tuple
+- C_2
+- Ca
+: 2.766666666666667
+? !!python/tuple
+- C_2
+- Cd
+: 2.411111111111111
+? !!python/tuple
+- C_2
+- Ce
+: 2.9157894736842107
+? !!python/tuple
+- C_2
+- Cl
+: 1.9444444444444444
+? !!python/tuple
+- C_2
+- Cm
+: 2.6888888888888887
+? !!python/tuple
+- C_2
+- Co
+: 2.477777777777778
+? !!python/tuple
+- C_2
+- Cr
+: 2.3555555555555556
+? !!python/tuple
+- C_2
+- Cs
+: 3.522222222222222
+? !!python/tuple
+- C_2
+- Cu
+: 2.2777777777777777
+? !!python/tuple
+- C_2
+- Dy
+: 2.7894736842105265
+? !!python/tuple
+- C_2
+- Er
+: 2.7578947368421054
+? !!python/tuple
+- C_2
+- Eu
+: 2.8526315789473684
+? !!python/tuple
+- C_2
+- F
+: 1.4444444444444442
+? !!python/tuple
+- C_2
+- Fe
+: 2.5
+? !!python/tuple
+- C_2
+- Fr
+: 3.7
+? !!python/tuple
+- C_2
+- Ga
+: 2.1666666666666665
+? !!python/tuple
+- C_2
+- Gd
+: 2.831578947368421
+? !!python/tuple
+- C_2
+- Ge
+: 2.1444444444444444
+? !!python/tuple
+- C_2
+- Hf
+: 2.7555555555555555
+? !!python/tuple
+- C_2
+- Hg
+: 2.2777777777777777
+? !!python/tuple
+- C_2
+- Ho
+: 2.7894736842105265
+? !!python/tuple
+- C_2
+- I
+: 2.3555555555555556
+? !!python/tuple
+- C_2
+- In
+: 2.388888888888889
+? !!python/tuple
+- C_2
+- Ir
+: 2.3777777777777773
+? !!python/tuple
+- C_2
+- K
+: 2.9052631578947365
+? !!python/tuple
+- C_2
+- Kr
+: 2.0999999999999996
+? !!python/tuple
+- C_2
+- La
+: 2.9473684210526314
+? !!python/tuple
+- C_2
+- Lu
+: 2.736842105263158
+? !!python/tuple
+- C_2
+- Mg
+: 2.3777777777777773
+? !!python/tuple
+- C_2
+- Mn
+: 2.5999999999999996
+? !!python/tuple
+- C_2
+- Mo
+: 2.522222222222222
+? !!python/tuple
+- C_2
+- N
+: 1.5999999999999999
+? !!python/tuple
+- C_2
+- Na
+: 2.655555555555555
+? !!python/tuple
+- C_2
+- Nb
+: 2.6333333333333333
+? !!python/tuple
+- C_2
+- Nd
+: 2.8842105263157896
+? !!python/tuple
+- C_2
+- Ne
+: 1.4555555555555555
+? !!python/tuple
+- C_2
+- Ni
+: 2.1888888888888887
+? !!python/tuple
+- C_2
+- Np
+: 2.922222222222222
+? !!python/tuple
+- C_2
+- O
+: 1.5444444444444445
+? !!python/tuple
+- C_2
+- Os
+: 2.411111111111111
+? !!python/tuple
+- C_2
+- P
+: 2.0
+? !!python/tuple
+- C_2
+- Pa
+: 3.033333333333333
+? !!python/tuple
+- C_2
+- Pb
+: 2.433333333333333
+? !!python/tuple
+- C_2
+- Pd
+: 2.3555555555555556
+? !!python/tuple
+- C_2
+- Pm
+: 2.863157894736842
+? !!python/tuple
+- C_2
+- Po
+: 2.3666666666666667
+? !!python/tuple
+- C_2
+- Pr
+: 2.9052631578947365
+? !!python/tuple
+- C_2
+- Pt
+: 2.322222222222222
+? !!python/tuple
+- C_2
+- Pu
+: 2.888888888888889
+? !!python/tuple
+- C_2
+- Ra
+: 3.2666666666666666
+? !!python/tuple
+- C_2
+- Rb
+: 3.2555555555555555
+? !!python/tuple
+- C_2
+- Re
+: 2.488888888888889
+? !!python/tuple
+- C_2
+- Rh
+: 2.388888888888889
+? !!python/tuple
+- C_2
+- Rn
+: 2.477777777777778
+? !!python/tuple
+- C_2
+- Ru
+: 2.433333333333333
+? !!python/tuple
+- C_2
+- S
+: 1.9777777777777779
+? !!python/tuple
+- C_2
+- Sb
+: 2.3555555555555556
+? !!python/tuple
+- C_2
+- Sc
+: 2.6999999999999997
+? !!python/tuple
+- C_2
+- Se
+: 2.1444444444444444
+? !!python/tuple
+- C_2
+- Si
+: 2.0444444444444443
+? !!python/tuple
+- C_2
+- Sm
+: 2.8526315789473684
+? !!python/tuple
+- C_2
+- Sn
+: 2.3555555555555556
+? !!python/tuple
+- C_2
+- Sr
+: 2.9777777777777774
+? !!python/tuple
+- C_2
+- Ta
+: 2.6999999999999997
+? !!python/tuple
+- C_2
+- Tb
+: 2.8105263157894735
+? !!python/tuple
+- C_2
+- Tc
+: 2.4444444444444446
+? !!python/tuple
+- C_2
+- Te
+: 2.344444444444444
+? !!python/tuple
+- C_2
+- Th
+: 3.1
+? !!python/tuple
+- C_2
+- Ti
+: 2.588888888888889
+? !!python/tuple
+- C_2
+- Tl
+: 2.422222222222222
+? !!python/tuple
+- C_2
+- Tm
+: 2.768421052631579
+? !!python/tuple
+- C_2
+- U
+: 2.988888888888889
+? !!python/tuple
+- C_2
+- V
+: 2.5111111111111106
+? !!python/tuple
+- C_2
+- W
+: 2.611111111111111
+? !!python/tuple
+- C_2
+- Xe
+: 2.3666666666666667
+? !!python/tuple
+- C_2
+- Y
+: 2.922222222222222
+? !!python/tuple
+- C_2
+- Yb
+: 2.736842105263158
+? !!python/tuple
+- C_2
+- Zn
+: 2.1666666666666665
+? !!python/tuple
+- C_2
+- Zr
+: 2.477777777777778
+? !!python/tuple
+- C_3
+- Ac
+: 3.2333333333333334
+? !!python/tuple
+- C_3
+- Ag
+: 2.4555555555555553
+? !!python/tuple
+- C_3
+- Al
+: 2.1888888888888887
+? !!python/tuple
+- C_3
+- Am
+: 2.8444444444444446
+? !!python/tuple
+- C_3
+- Ar
+: 2.022222222222222
+? !!python/tuple
+- C_3
+- As
+: 2.1666666666666665
+? !!python/tuple
+- C_3
+- At
+: 2.5111111111111106
+? !!python/tuple
+- C_3
+- Au
+: 2.3555555555555556
+? !!python/tuple
+- C_3
+- Ba
+: 3.2333333333333334
+? !!python/tuple
+- C_3
+- Bi
+: 2.488888888888889
+? !!python/tuple
+- C_3
+- Br
+: 2.1777777777777776
+? !!python/tuple
+- C_3
+- C_3
+: 1.6888888888888889
+? !!python/tuple
+- C_3
+- Ca
+: 2.8
+? !!python/tuple
+- C_3
+- Cd
+: 2.4444444444444446
+? !!python/tuple
+- C_3
+- Ce
+: 2.9473684210526314
+? !!python/tuple
+- C_3
+- Cl
+: 1.9777777777777779
+? !!python/tuple
+- C_3
+- Cm
+: 2.7222222222222223
+? !!python/tuple
+- C_3
+- Co
+: 2.5111111111111106
+? !!python/tuple
+- C_3
+- Cr
+: 2.388888888888889
+? !!python/tuple
+- C_3
+- Cs
+: 3.555555555555556
+? !!python/tuple
+- C_3
+- Cu
+: 2.3111111111111113
+? !!python/tuple
+- C_3
+- Dy
+: 2.8210526315789473
+? !!python/tuple
+- C_3
+- Er
+: 2.7894736842105265
+? !!python/tuple
+- C_3
+- Eu
+: 2.88421052631579
+? !!python/tuple
+- C_3
+- F
+: 1.4777777777777779
+? !!python/tuple
+- C_3
+- Fe
+: 2.5333333333333337
+? !!python/tuple
+- C_3
+- Fr
+: 3.7333333333333334
+? !!python/tuple
+- C_3
+- Ga
+: 2.1999999999999997
+? !!python/tuple
+- C_3
+- Gd
+: 2.863157894736842
+? !!python/tuple
+- C_3
+- Ge
+: 2.1777777777777776
+? !!python/tuple
+- C_3
+- Hf
+: 2.7888888888888888
+? !!python/tuple
+- C_3
+- Hg
+: 2.3111111111111113
+? !!python/tuple
+- C_3
+- Ho
+: 2.8210526315789473
+? !!python/tuple
+- C_3
+- I
+: 2.388888888888889
+? !!python/tuple
+- C_3
+- In
+: 2.422222222222222
+? !!python/tuple
+- C_3
+- Ir
+: 2.411111111111111
+? !!python/tuple
+- C_3
+- K
+: 2.936842105263158
+? !!python/tuple
+- C_3
+- Kr
+: 2.1333333333333333
+? !!python/tuple
+- C_3
+- La
+: 2.978947368421053
+? !!python/tuple
+- C_3
+- Lu
+: 2.768421052631579
+? !!python/tuple
+- C_3
+- Mg
+: 2.411111111111111
+? !!python/tuple
+- C_3
+- Mn
+: 2.6333333333333333
+? !!python/tuple
+- C_3
+- Mo
+: 2.5555555555555554
+? !!python/tuple
+- C_3
+- N
+: 1.6333333333333333
+? !!python/tuple
+- C_3
+- Na
+: 2.6888888888888887
+? !!python/tuple
+- C_3
+- Nb
+: 2.6666666666666665
+? !!python/tuple
+- C_3
+- Nd
+: 2.9157894736842103
+? !!python/tuple
+- C_3
+- Ne
+: 1.4888888888888887
+? !!python/tuple
+- C_3
+- Ni
+: 2.2222222222222223
+? !!python/tuple
+- C_3
+- Np
+: 2.9555555555555557
+? !!python/tuple
+- C_3
+- O
+: 1.5777777777777777
+? !!python/tuple
+- C_3
+- Os
+: 2.4444444444444446
+? !!python/tuple
+- C_3
+- P
+: 2.033333333333333
+? !!python/tuple
+- C_3
+- Pa
+: 3.0666666666666664
+? !!python/tuple
+- C_3
+- Pb
+: 2.4666666666666663
+? !!python/tuple
+- C_3
+- Pd
+: 2.388888888888889
+? !!python/tuple
+- C_3
+- Pm
+: 2.8947368421052633
+? !!python/tuple
+- C_3
+- Po
+: 2.4
+? !!python/tuple
+- C_3
+- Pr
+: 2.936842105263158
+? !!python/tuple
+- C_3
+- Pt
+: 2.3555555555555556
+? !!python/tuple
+- C_3
+- Pu
+: 2.922222222222222
+? !!python/tuple
+- C_3
+- Ra
+: 3.3
+? !!python/tuple
+- C_3
+- Rb
+: 3.2888888888888888
+? !!python/tuple
+- C_3
+- Re
+: 2.522222222222222
+? !!python/tuple
+- C_3
+- Rh
+: 2.422222222222222
+? !!python/tuple
+- C_3
+- Rn
+: 2.5111111111111106
+? !!python/tuple
+- C_3
+- Ru
+: 2.4666666666666663
+? !!python/tuple
+- C_3
+- S
+: 2.011111111111111
+? !!python/tuple
+- C_3
+- Sb
+: 2.388888888888889
+? !!python/tuple
+- C_3
+- Sc
+: 2.7333333333333334
+? !!python/tuple
+- C_3
+- Se
+: 2.1777777777777776
+? !!python/tuple
+- C_3
+- Si
+: 2.077777777777778
+? !!python/tuple
+- C_3
+- Sm
+: 2.88421052631579
+? !!python/tuple
+- C_3
+- Sn
+: 2.388888888888889
+? !!python/tuple
+- C_3
+- Sr
+: 3.011111111111111
+? !!python/tuple
+- C_3
+- Ta
+: 2.7333333333333334
+? !!python/tuple
+- C_3
+- Tb
+: 2.842105263157895
+? !!python/tuple
+- C_3
+- Tc
+: 2.477777777777778
+? !!python/tuple
+- C_3
+- Te
+: 2.3777777777777773
+? !!python/tuple
+- C_3
+- Th
+: 3.1333333333333337
+? !!python/tuple
+- C_3
+- Ti
+: 2.6222222222222227
+? !!python/tuple
+- C_3
+- Tl
+: 2.4555555555555553
+? !!python/tuple
+- C_3
+- Tm
+: 2.8000000000000003
+? !!python/tuple
+- C_3
+- U
+: 3.0222222222222217
+? !!python/tuple
+- C_3
+- V
+: 2.5444444444444443
+? !!python/tuple
+- C_3
+- W
+: 2.6444444444444444
+? !!python/tuple
+- C_3
+- Xe
+: 2.4
+? !!python/tuple
+- C_3
+- Y
+: 2.9555555555555557
+? !!python/tuple
+- C_3
+- Yb
+: 2.768421052631579
+? !!python/tuple
+- C_3
+- Zn
+: 2.1999999999999997
+? !!python/tuple
+- C_3
+- Zr
+: 2.5111111111111106
+? !!python/tuple
+- C_R
+- Ac
+: 3.1999999999999997
+? !!python/tuple
+- C_R
+- Ag
+: 2.422222222222222
+? !!python/tuple
+- C_R
+- Al
+: 2.1555555555555554
+? !!python/tuple
+- C_R
+- Am
+: 2.8111111111111113
+? !!python/tuple
+- C_R
+- Ar
+: 1.988888888888889
+? !!python/tuple
+- C_R
+- As
+: 2.1333333333333333
+? !!python/tuple
+- C_R
+- At
+: 2.477777777777778
+? !!python/tuple
+- C_R
+- Au
+: 2.322222222222222
+? !!python/tuple
+- C_R
+- Ba
+: 3.1999999999999997
+? !!python/tuple
+- C_R
+- Bi
+: 2.4555555555555553
+? !!python/tuple
+- C_R
+- Br
+: 2.1444444444444444
+? !!python/tuple
+- C_R
+- C_3
+: 1.6555555555555554
+? !!python/tuple
+- C_R
+- C_R
+: 1.6222222222222222
+? !!python/tuple
+- C_R
+- Ca
+: 2.766666666666667
+? !!python/tuple
+- C_R
+- Cd
+: 2.411111111111111
+? !!python/tuple
+- C_R
+- Ce
+: 2.9157894736842107
+? !!python/tuple
+- C_R
+- Cl
+: 1.9444444444444444
+? !!python/tuple
+- C_R
+- Cm
+: 2.6888888888888887
+? !!python/tuple
+- C_R
+- Co
+: 2.477777777777778
+? !!python/tuple
+- C_R
+- Cr
+: 2.3555555555555556
+? !!python/tuple
+- C_R
+- Cs
+: 3.522222222222222
+? !!python/tuple
+- C_R
+- Cu
+: 2.2777777777777777
+? !!python/tuple
+- C_R
+- Dy
+: 2.7894736842105265
+? !!python/tuple
+- C_R
+- Er
+: 2.7578947368421054
+? !!python/tuple
+- C_R
+- Eu
+: 2.8526315789473684
+? !!python/tuple
+- C_R
+- F
+: 1.4444444444444442
+? !!python/tuple
+- C_R
+- Fe
+: 2.5
+? !!python/tuple
+- C_R
+- Fr
+: 3.7
+? !!python/tuple
+- C_R
+- Ga
+: 2.1666666666666665
+? !!python/tuple
+- C_R
+- Gd
+: 2.831578947368421
+? !!python/tuple
+- C_R
+- Ge
+: 2.1444444444444444
+? !!python/tuple
+- C_R
+- Hf
+: 2.7555555555555555
+? !!python/tuple
+- C_R
+- Hg
+: 2.2777777777777777
+? !!python/tuple
+- C_R
+- Ho
+: 2.7894736842105265
+? !!python/tuple
+- C_R
+- I
+: 2.3555555555555556
+? !!python/tuple
+- C_R
+- In
+: 2.388888888888889
+? !!python/tuple
+- C_R
+- Ir
+: 2.3777777777777773
+? !!python/tuple
+- C_R
+- K
+: 2.9052631578947365
+? !!python/tuple
+- C_R
+- Kr
+: 2.0999999999999996
+? !!python/tuple
+- C_R
+- La
+: 2.9473684210526314
+? !!python/tuple
+- C_R
+- Lu
+: 2.736842105263158
+? !!python/tuple
+- C_R
+- Mg
+: 2.3777777777777773
+? !!python/tuple
+- C_R
+- Mn
+: 2.5999999999999996
+? !!python/tuple
+- C_R
+- Mo
+: 2.522222222222222
+? !!python/tuple
+- C_R
+- N
+: 1.5999999999999999
+? !!python/tuple
+- C_R
+- Na
+: 2.655555555555555
+? !!python/tuple
+- C_R
+- Nb
+: 2.6333333333333333
+? !!python/tuple
+- C_R
+- Nd
+: 2.8842105263157896
+? !!python/tuple
+- C_R
+- Ne
+: 1.4555555555555555
+? !!python/tuple
+- C_R
+- Ni
+: 2.1888888888888887
+? !!python/tuple
+- C_R
+- Np
+: 2.922222222222222
+? !!python/tuple
+- C_R
+- O
+: 1.5444444444444445
+? !!python/tuple
+- C_R
+- Os
+: 2.411111111111111
+? !!python/tuple
+- C_R
+- P
+: 2.0
+? !!python/tuple
+- C_R
+- Pa
+: 3.033333333333333
+? !!python/tuple
+- C_R
+- Pb
+: 2.433333333333333
+? !!python/tuple
+- C_R
+- Pd
+: 2.3555555555555556
+? !!python/tuple
+- C_R
+- Pm
+: 2.863157894736842
+? !!python/tuple
+- C_R
+- Po
+: 2.3666666666666667
+? !!python/tuple
+- C_R
+- Pr
+: 2.9052631578947365
+? !!python/tuple
+- C_R
+- Pt
+: 2.322222222222222
+? !!python/tuple
+- C_R
+- Pu
+: 2.888888888888889
+? !!python/tuple
+- C_R
+- Ra
+: 3.2666666666666666
+? !!python/tuple
+- C_R
+- Rb
+: 3.2555555555555555
+? !!python/tuple
+- C_R
+- Re
+: 2.488888888888889
+? !!python/tuple
+- C_R
+- Rh
+: 2.388888888888889
+? !!python/tuple
+- C_R
+- Rn
+: 2.477777777777778
+? !!python/tuple
+- C_R
+- Ru
+: 2.433333333333333
+? !!python/tuple
+- C_R
+- S
+: 1.9777777777777779
+? !!python/tuple
+- C_R
+- Sb
+: 2.3555555555555556
+? !!python/tuple
+- C_R
+- Sc
+: 2.6999999999999997
+? !!python/tuple
+- C_R
+- Se
+: 2.1444444444444444
+? !!python/tuple
+- C_R
+- Si
+: 2.0444444444444443
+? !!python/tuple
+- C_R
+- Sm
+: 2.8526315789473684
+? !!python/tuple
+- C_R
+- Sn
+: 2.3555555555555556
+? !!python/tuple
+- C_R
+- Sr
+: 2.9777777777777774
+? !!python/tuple
+- C_R
+- Ta
+: 2.6999999999999997
+? !!python/tuple
+- C_R
+- Tb
+: 2.8105263157894735
+? !!python/tuple
+- C_R
+- Tc
+: 2.4444444444444446
+? !!python/tuple
+- C_R
+- Te
+: 2.344444444444444
+? !!python/tuple
+- C_R
+- Th
+: 3.1
+? !!python/tuple
+- C_R
+- Ti
+: 2.588888888888889
+? !!python/tuple
+- C_R
+- Tl
+: 2.422222222222222
+? !!python/tuple
+- C_R
+- Tm
+: 2.768421052631579
+? !!python/tuple
+- C_R
+- U
+: 2.988888888888889
+? !!python/tuple
+- C_R
+- V
+: 2.5111111111111106
+? !!python/tuple
+- C_R
+- W
+: 2.611111111111111
+? !!python/tuple
+- C_R
+- Xe
+: 2.3666666666666667
+? !!python/tuple
+- C_R
+- Y
+: 2.922222222222222
+? !!python/tuple
+- C_R
+- Yb
+: 2.736842105263158
+? !!python/tuple
+- C_R
+- Zn
+: 2.1666666666666665
+? !!python/tuple
+- C_R
+- Zr
+: 2.477777777777778
+? !!python/tuple
+- Ca
+- Ac
+: 4.344444444444444
+? !!python/tuple
+- Ca
+- Ag
+: 3.5666666666666664
+? !!python/tuple
+- Ca
+- Am
+: 3.9555555555555557
+? !!python/tuple
+- Ca
+- As
+: 3.2777777777777777
+? !!python/tuple
+- Ca
+- At
+: 3.622222222222222
+? !!python/tuple
+- Ca
+- Au
+: 3.466666666666667
+? !!python/tuple
+- Ca
+- Ba
+: 4.344444444444444
+? !!python/tuple
+- Ca
+- Bi
+: 3.6
+? !!python/tuple
+- Ca
+- Br
+: 3.2888888888888888
+? !!python/tuple
+- Ca
+- Ca
+: 3.911111111111111
+? !!python/tuple
+- Ca
+- Cd
+: 3.555555555555556
+? !!python/tuple
+- Ca
+- Ce
+: 4.0
+? !!python/tuple
+- Ca
+- Cm
+: 3.8333333333333335
+? !!python/tuple
+- Ca
+- Co
+: 3.622222222222222
+? !!python/tuple
+- Ca
+- Cr
+: 3.5
+? !!python/tuple
+- Ca
+- Cs
+: 4.666666666666667
+? !!python/tuple
+- Ca
+- Cu
+: 3.422222222222222
+? !!python/tuple
+- Ca
+- Dy
+: 3.873684210526316
+? !!python/tuple
+- Ca
+- Er
+: 3.8421052631578947
+? !!python/tuple
+- Ca
+- Eu
+: 3.936842105263158
+? !!python/tuple
+- Ca
+- Fe
+: 3.644444444444445
+? !!python/tuple
+- Ca
+- Fr
+: 4.844444444444445
+? !!python/tuple
+- Ca
+- Ga
+: 3.311111111111111
+? !!python/tuple
+- Ca
+- Gd
+: 3.9157894736842103
+? !!python/tuple
+- Ca
+- Ge
+: 3.2888888888888888
+? !!python/tuple
+- Ca
+- Hf
+: 3.8999999999999995
+? !!python/tuple
+- Ca
+- Hg
+: 3.422222222222222
+? !!python/tuple
+- Ca
+- Ho
+: 3.873684210526316
+? !!python/tuple
+- Ca
+- I
+: 3.5
+? !!python/tuple
+- Ca
+- In
+: 3.5333333333333328
+? !!python/tuple
+- Ca
+- Ir
+: 3.522222222222222
+? !!python/tuple
+- Ca
+- Kr
+: 3.2444444444444445
+? !!python/tuple
+- Ca
+- La
+: 4.031578947368422
+? !!python/tuple
+- Ca
+- Lu
+: 3.8210526315789473
+? !!python/tuple
+- Ca
+- Mn
+: 3.7444444444444445
+? !!python/tuple
+- Ca
+- Mo
+: 3.6666666666666665
+? !!python/tuple
+- Ca
+- Nb
+: 3.7777777777777777
+? !!python/tuple
+- Ca
+- Nd
+: 3.968421052631579
+? !!python/tuple
+- Ca
+- Ni
+: 3.333333333333333
+? !!python/tuple
+- Ca
+- Np
+: 4.066666666666666
+? !!python/tuple
+- Ca
+- Os
+: 3.555555555555556
+? !!python/tuple
+- Ca
+- Pa
+: 4.177777777777777
+? !!python/tuple
+- Ca
+- Pb
+: 3.5777777777777775
+? !!python/tuple
+- Ca
+- Pd
+: 3.5
+? !!python/tuple
+- Ca
+- Pm
+: 3.947368421052632
+? !!python/tuple
+- Ca
+- Po
+: 3.511111111111111
+? !!python/tuple
+- Ca
+- Pr
+: 3.9894736842105267
+? !!python/tuple
+- Ca
+- Pt
+: 3.466666666666667
+? !!python/tuple
+- Ca
+- Pu
+: 4.033333333333333
+? !!python/tuple
+- Ca
+- Ra
+: 4.4111111111111105
+? !!python/tuple
+- Ca
+- Rb
+: 4.3999999999999995
+? !!python/tuple
+- Ca
+- Re
+: 3.6333333333333333
+? !!python/tuple
+- Ca
+- Rh
+: 3.5333333333333328
+? !!python/tuple
+- Ca
+- Rn
+: 3.622222222222222
+? !!python/tuple
+- Ca
+- Ru
+: 3.5777777777777775
+? !!python/tuple
+- Ca
+- Sb
+: 3.5
+? !!python/tuple
+- Ca
+- Sc
+: 3.844444444444444
+? !!python/tuple
+- Ca
+- Se
+: 3.2888888888888888
+? !!python/tuple
+- Ca
+- Sm
+: 3.936842105263158
+? !!python/tuple
+- Ca
+- Sn
+: 3.5
+? !!python/tuple
+- Ca
+- Sr
+: 4.122222222222222
+? !!python/tuple
+- Ca
+- Ta
+: 3.844444444444444
+? !!python/tuple
+- Ca
+- Tb
+: 3.8947368421052637
+? !!python/tuple
+- Ca
+- Tc
+: 3.5888888888888886
+? !!python/tuple
+- Ca
+- Te
+: 3.4888888888888885
+? !!python/tuple
+- Ca
+- Th
+: 4.2444444444444445
+? !!python/tuple
+- Ca
+- Ti
+: 3.7333333333333334
+? !!python/tuple
+- Ca
+- Tl
+: 3.5666666666666664
+? !!python/tuple
+- Ca
+- Tm
+: 3.852631578947369
+? !!python/tuple
+- Ca
+- U
+: 4.133333333333333
+? !!python/tuple
+- Ca
+- V
+: 3.6555555555555554
+? !!python/tuple
+- Ca
+- W
+: 3.7555555555555555
+? !!python/tuple
+- Ca
+- Xe
+: 3.511111111111111
+? !!python/tuple
+- Ca
+- Y
+: 4.066666666666666
+? !!python/tuple
+- Ca
+- Yb
+: 3.8210526315789473
+? !!python/tuple
+- Ca
+- Zn
+: 3.311111111111111
+? !!python/tuple
+- Ca
+- Zr
+: 3.622222222222222
+? !!python/tuple
+- Cd
+- Ac
+: 3.9888888888888885
+? !!python/tuple
+- Cd
+- Am
+: 3.6
+? !!python/tuple
+- Cd
+- At
+: 3.2666666666666666
+? !!python/tuple
+- Cd
+- Au
+: 3.1111111111111107
+? !!python/tuple
+- Cd
+- Ba
+: 3.9888888888888885
+? !!python/tuple
+- Cd
+- Bi
+: 3.2444444444444445
+? !!python/tuple
+- Cd
+- Cd
+: 3.1999999999999997
+? !!python/tuple
+- Cd
+- Ce
+: 3.6631578947368424
+? !!python/tuple
+- Cd
+- Cm
+: 3.4777777777777774
+? !!python/tuple
+- Cd
+- Cs
+: 4.311111111111111
+? !!python/tuple
+- Cd
+- Dy
+: 3.536842105263158
+? !!python/tuple
+- Cd
+- Er
+: 3.505263157894737
+? !!python/tuple
+- Cd
+- Eu
+: 3.6
+? !!python/tuple
+- Cd
+- Fr
+: 4.488888888888889
+? !!python/tuple
+- Cd
+- Gd
+: 3.5789473684210527
+? !!python/tuple
+- Cd
+- Hf
+: 3.5444444444444443
+? !!python/tuple
+- Cd
+- Hg
+: 3.0666666666666664
+? !!python/tuple
+- Cd
+- Ho
+: 3.536842105263158
+? !!python/tuple
+- Cd
+- I
+: 3.1444444444444444
+? !!python/tuple
+- Cd
+- In
+: 3.1777777777777776
+? !!python/tuple
+- Cd
+- Ir
+: 3.166666666666666
+? !!python/tuple
+- Cd
+- La
+: 3.694736842105263
+? !!python/tuple
+- Cd
+- Lu
+: 3.4842105263157896
+? !!python/tuple
+- Cd
+- Nd
+: 3.631578947368421
+? !!python/tuple
+- Cd
+- Np
+: 3.711111111111111
+? !!python/tuple
+- Cd
+- Os
+: 3.1999999999999997
+? !!python/tuple
+- Cd
+- Pa
+: 3.822222222222222
+? !!python/tuple
+- Cd
+- Pb
+: 3.222222222222222
+? !!python/tuple
+- Cd
+- Pm
+: 3.6105263157894734
+? !!python/tuple
+- Cd
+- Po
+: 3.1555555555555554
+? !!python/tuple
+- Cd
+- Pr
+: 3.6526315789473682
+? !!python/tuple
+- Cd
+- Pt
+: 3.1111111111111107
+? !!python/tuple
+- Cd
+- Pu
+: 3.6777777777777776
+? !!python/tuple
+- Cd
+- Ra
+: 4.055555555555555
+? !!python/tuple
+- Cd
+- Re
+: 3.2777777777777777
+? !!python/tuple
+- Cd
+- Rn
+: 3.2666666666666666
+? !!python/tuple
+- Cd
+- Sb
+: 3.1444444444444444
+? !!python/tuple
+- Cd
+- Sm
+: 3.6
+? !!python/tuple
+- Cd
+- Sn
+: 3.1444444444444444
+? !!python/tuple
+- Cd
+- Ta
+: 3.4888888888888885
+? !!python/tuple
+- Cd
+- Tb
+: 3.557894736842105
+? !!python/tuple
+- Cd
+- Te
+: 3.133333333333333
+? !!python/tuple
+- Cd
+- Th
+: 3.888888888888889
+? !!python/tuple
+- Cd
+- Tl
+: 3.211111111111111
+? !!python/tuple
+- Cd
+- Tm
+: 3.5157894736842104
+? !!python/tuple
+- Cd
+- U
+: 3.7777777777777777
+? !!python/tuple
+- Cd
+- W
+: 3.4
+? !!python/tuple
+- Cd
+- Xe
+: 3.1555555555555554
+? !!python/tuple
+- Cd
+- Yb
+: 3.4842105263157896
+? !!python/tuple
+- Ce
+- Ac
+: 4.410526315789474
+? !!python/tuple
+- Ce
+- Am
+: 4.042105263157895
+? !!python/tuple
+- Ce
+- At
+: 3.7263157894736842
+? !!python/tuple
+- Ce
+- Au
+: 3.578947368421053
+? !!python/tuple
+- Ce
+- Bi
+: 3.705263157894737
+? !!python/tuple
+- Ce
+- Ce
+: 4.294736842105263
+? !!python/tuple
+- Ce
+- Cm
+: 3.9263157894736844
+? !!python/tuple
+- Ce
+- Dy
+: 4.1684210526315795
+? !!python/tuple
+- Ce
+- Er
+: 4.136842105263158
+? !!python/tuple
+- Ce
+- Eu
+: 4.231578947368421
+? !!python/tuple
+- Ce
+- Fr
+: 4.8842105263157904
+? !!python/tuple
+- Ce
+- Gd
+: 4.2105263157894735
+? !!python/tuple
+- Ce
+- Hf
+: 3.9894736842105267
+? !!python/tuple
+- Ce
+- Hg
+: 3.5368421052631582
+? !!python/tuple
+- Ce
+- Ho
+: 4.1684210526315795
+? !!python/tuple
+- Ce
+- Ir
+: 3.6315789473684212
+? !!python/tuple
+- Ce
+- Lu
+: 4.11578947368421
+? !!python/tuple
+- Ce
+- Nd
+: 4.2631578947368425
+? !!python/tuple
+- Ce
+- Np
+: 4.147368421052632
+? !!python/tuple
+- Ce
+- Os
+: 3.6631578947368424
+? !!python/tuple
+- Ce
+- Pa
+: 4.252631578947368
+? !!python/tuple
+- Ce
+- Pb
+: 3.68421052631579
+? !!python/tuple
+- Ce
+- Pm
+: 4.242105263157895
+? !!python/tuple
+- Ce
+- Po
+: 3.6210526315789475
+? !!python/tuple
+- Ce
+- Pr
+: 4.28421052631579
+? !!python/tuple
+- Ce
+- Pt
+: 3.578947368421053
+? !!python/tuple
+- Ce
+- Pu
+: 4.11578947368421
+? !!python/tuple
+- Ce
+- Ra
+: 4.473684210526316
+? !!python/tuple
+- Ce
+- Re
+: 3.736842105263158
+? !!python/tuple
+- Ce
+- Rn
+: 3.7263157894736842
+? !!python/tuple
+- Ce
+- Sm
+: 4.231578947368421
+? !!python/tuple
+- Ce
+- Ta
+: 3.936842105263158
+? !!python/tuple
+- Ce
+- Tb
+: 4.189473684210527
+? !!python/tuple
+- Ce
+- Th
+: 4.315789473684211
+? !!python/tuple
+- Ce
+- Tl
+: 3.673684210526316
+? !!python/tuple
+- Ce
+- Tm
+: 4.147368421052632
+? !!python/tuple
+- Ce
+- U
+: 4.2105263157894735
+? !!python/tuple
+- Ce
+- W
+: 3.852631578947369
+? !!python/tuple
+- Ce
+- Yb
+: 4.11578947368421
+? !!python/tuple
+- Cl
+- Ac
+: 3.522222222222222
+? !!python/tuple
+- Cl
+- Ag
+: 2.744444444444444
+? !!python/tuple
+- Cl
+- Am
+: 3.1333333333333337
+? !!python/tuple
+- Cl
+- Ar
+: 2.3111111111111113
+? !!python/tuple
+- Cl
+- As
+: 2.4555555555555553
+? !!python/tuple
+- Cl
+- At
+: 2.8
+? !!python/tuple
+- Cl
+- Au
+: 2.6444444444444444
+? !!python/tuple
+- Cl
+- Ba
+: 3.522222222222222
+? !!python/tuple
+- Cl
+- Bi
+: 2.7777777777777777
+? !!python/tuple
+- Cl
+- Br
+: 2.4666666666666663
+? !!python/tuple
+- Cl
+- Ca
+: 3.088888888888889
+? !!python/tuple
+- Cl
+- Cd
+: 2.7333333333333334
+? !!python/tuple
+- Cl
+- Ce
+: 3.2210526315789476
+? !!python/tuple
+- Cl
+- Cl
+: 2.2666666666666666
+? !!python/tuple
+- Cl
+- Cm
+: 3.011111111111111
+? !!python/tuple
+- Cl
+- Co
+: 2.8
+? !!python/tuple
+- Cl
+- Cr
+: 2.677777777777778
+? !!python/tuple
+- Cl
+- Cs
+: 3.844444444444444
+? !!python/tuple
+- Cl
+- Cu
+: 2.5999999999999996
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+- Cl
+- Dy
+: 3.0947368421052635
+? !!python/tuple
+- Cl
+- Er
+: 3.0631578947368423
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+- Cl
+- Eu
+: 3.1578947368421053
+? !!python/tuple
+- Cl
+- Fe
+: 2.8222222222222224
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+- Cl
+- Fr
+: 4.022222222222222
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+- Cl
+- Ga
+: 2.488888888888889
+? !!python/tuple
+- Cl
+- Gd
+: 3.136842105263158
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+- Cl
+- Ge
+: 2.4666666666666663
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+- Cl
+- Hf
+: 3.0777777777777775
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+- Cl
+- Hg
+: 2.5999999999999996
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+- Cl
+- Ho
+: 3.0947368421052635
+? !!python/tuple
+- Cl
+- I
+: 2.677777777777778
+? !!python/tuple
+- Cl
+- In
+: 2.711111111111111
+? !!python/tuple
+- Cl
+- Ir
+: 2.6999999999999997
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+- Cl
+- K
+: 3.2105263157894735
+? !!python/tuple
+- Cl
+- Kr
+: 2.422222222222222
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+- Cl
+- La
+: 3.2526315789473683
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+- Cl
+- Lu
+: 3.042105263157895
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+- Cl
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+: 2.922222222222222
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+- Cl
+- Mo
+: 2.8444444444444446
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+- Cl
+- Nb
+: 2.9555555555555557
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+- Cl
+- Nd
+: 3.1894736842105265
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+- Cl
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+: 2.5111111111111106
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+- Cl
+- Np
+: 3.2444444444444445
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+- Cl
+- Os
+: 2.7333333333333334
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+- Cl
+- Pa
+: 3.3555555555555556
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+- Cl
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+: 2.7555555555555555
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+- Cl
+- Pd
+: 2.677777777777778
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+- Pm
+: 3.168421052631579
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+- Cl
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+: 2.6888888888888887
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+- Cl
+- Pr
+: 3.2105263157894735
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+- Cl
+- Pt
+: 2.6444444444444444
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+- Cl
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+: 3.2111111111111112
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+- Cl
+- Ra
+: 3.5888888888888886
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+- Cl
+- Rb
+: 3.577777777777778
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+- Cl
+- Re
+: 2.8111111111111113
+? !!python/tuple
+- Cl
+- Rh
+: 2.711111111111111
+? !!python/tuple
+- Cl
+- Rn
+: 2.8
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+- Cl
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+: 2.7555555555555555
+? !!python/tuple
+- Cl
+- Sb
+: 2.677777777777778
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+- Cl
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+: 3.0222222222222217
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+- Cl
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+: 2.4666666666666663
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+- Cl
+- Sm
+: 3.1578947368421053
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+- Cl
+- Sn
+: 2.677777777777778
+? !!python/tuple
+- Cl
+- Sr
+: 3.3
+? !!python/tuple
+- Cl
+- Ta
+: 3.0222222222222217
+? !!python/tuple
+- Cl
+- Tb
+: 3.1157894736842104
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+- Cl
+- Tc
+: 2.766666666666667
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+- Cl
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+: 2.6666666666666665
+? !!python/tuple
+- Cl
+- Th
+: 3.422222222222222
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+- Cl
+- Ti
+: 2.911111111111111
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+- Cl
+- Tl
+: 2.744444444444444
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+- Cl
+- Tm
+: 3.073684210526316
+? !!python/tuple
+- Cl
+- U
+: 3.311111111111111
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+- Cl
+- V
+: 2.833333333333333
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+- Cl
+- W
+: 2.9333333333333336
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+- Xe
+: 2.6888888888888887
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+- Cl
+- Y
+: 3.2444444444444445
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+- Cl
+- Yb
+: 3.042105263157895
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+- Cl
+- Zn
+: 2.488888888888889
+? !!python/tuple
+- Cl
+- Zr
+: 2.8
+? !!python/tuple
+- Cm
+- Cm
+: 3.7555555555555555
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+: 4.055555555555555
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+- Co
+- Ag
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+- Co
+- Am
+: 3.6666666666666665
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+- As
+: 2.988888888888889
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+- Co
+- At
+: 3.333333333333333
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+- Co
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+: 4.055555555555555
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+- Co
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+: 3.311111111111111
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+- Co
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+: 3.0
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+: 3.2666666666666666
+? !!python/tuple
+- Co
+- Ce
+: 3.7263157894736842
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+- Co
+- Cm
+: 3.5444444444444443
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+- Co
+- Co
+: 3.333333333333333
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+- Cs
+: 4.377777777777777
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+- Co
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+: 3.1333333333333337
+? !!python/tuple
+- Co
+- Dy
+: 3.6
+? !!python/tuple
+- Co
+- Er
+: 3.568421052631579
+? !!python/tuple
+- Co
+- Eu
+: 3.6631578947368424
+? !!python/tuple
+- Co
+- Fr
+: 4.555555555555555
+? !!python/tuple
+- Co
+- Ga
+: 3.0222222222222217
+? !!python/tuple
+- Co
+- Gd
+: 3.642105263157895
+? !!python/tuple
+- Co
+- Ge
+: 3.0
+? !!python/tuple
+- Co
+- Hf
+: 3.611111111111111
+? !!python/tuple
+- Co
+- Hg
+: 3.1333333333333337
+? !!python/tuple
+- Co
+- Ho
+: 3.6
+? !!python/tuple
+- Co
+- I
+: 3.211111111111111
+? !!python/tuple
+- Co
+- In
+: 3.2444444444444445
+? !!python/tuple
+- Co
+- Ir
+: 3.2333333333333334
+? !!python/tuple
+- Co
+- Kr
+: 2.9555555555555557
+? !!python/tuple
+- Co
+- La
+: 3.7578947368421054
+? !!python/tuple
+- Co
+- Lu
+: 3.547368421052632
+? !!python/tuple
+- Co
+- Mo
+: 3.3777777777777778
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+- Co
+- Nb
+: 3.4888888888888885
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+- Co
+- Nd
+: 3.694736842105263
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+- Co
+- Ni
+: 3.0444444444444447
+? !!python/tuple
+- Co
+- Np
+: 3.7777777777777777
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+- Co
+- Os
+: 3.2666666666666666
+? !!python/tuple
+- Co
+- Pa
+: 3.888888888888889
+? !!python/tuple
+- Co
+- Pb
+: 3.2888888888888888
+? !!python/tuple
+- Co
+- Pd
+: 3.211111111111111
+? !!python/tuple
+- Co
+- Pm
+: 3.673684210526316
+? !!python/tuple
+- Co
+- Po
+: 3.222222222222222
+? !!python/tuple
+- Co
+- Pr
+: 3.7157894736842105
+? !!python/tuple
+- Co
+- Pt
+: 3.177777777777778
+? !!python/tuple
+- Co
+- Pu
+: 3.7444444444444445
+? !!python/tuple
+- Co
+- Ra
+: 4.122222222222222
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+- Co
+- Rb
+: 4.111111111111112
+? !!python/tuple
+- Co
+- Re
+: 3.344444444444444
+? !!python/tuple
+- Co
+- Rh
+: 3.2444444444444445
+? !!python/tuple
+- Co
+- Rn
+: 3.333333333333333
+? !!python/tuple
+- Co
+- Ru
+: 3.2888888888888888
+? !!python/tuple
+- Co
+- Sb
+: 3.211111111111111
+? !!python/tuple
+- Co
+- Se
+: 3.0
+? !!python/tuple
+- Co
+- Sm
+: 3.6631578947368424
+? !!python/tuple
+- Co
+- Sn
+: 3.211111111111111
+? !!python/tuple
+- Co
+- Sr
+: 3.8333333333333335
+? !!python/tuple
+- Co
+- Ta
+: 3.555555555555556
+? !!python/tuple
+- Co
+- Tb
+: 3.6210526315789475
+? !!python/tuple
+- Co
+- Tc
+: 3.3
+? !!python/tuple
+- Co
+- Te
+: 3.1999999999999997
+? !!python/tuple
+- Co
+- Th
+: 3.9555555555555557
+? !!python/tuple
+- Co
+- Tl
+: 3.2777777777777777
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+- Co
+- Tm
+: 3.5789473684210527
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+- Co
+- U
+: 3.844444444444444
+? !!python/tuple
+- Co
+- W
+: 3.466666666666667
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+- Co
+- Xe
+: 3.222222222222222
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+- Co
+- Y
+: 3.7777777777777777
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+- Co
+- Yb
+: 3.547368421052632
+? !!python/tuple
+- Co
+- Zn
+: 3.0222222222222217
+? !!python/tuple
+- Co
+- Zr
+: 3.333333333333333
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+- Cr
+- Ac
+: 3.933333333333333
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+- Cr
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+: 3.1555555555555554
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+- Cr
+- Am
+: 3.5444444444444443
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+- Cr
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+: 2.8666666666666667
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+- Cr
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+: 3.211111111111111
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+- Cr
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+: 3.0555555555555554
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+- Cr
+- Ba
+: 3.933333333333333
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+- Cr
+- Bi
+: 3.188888888888889
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+- Cr
+- Br
+: 2.8777777777777778
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+- Cr
+- Cd
+: 3.1444444444444444
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+- Cr
+- Ce
+: 3.6105263157894734
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+- Cr
+- Cm
+: 3.422222222222222
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+- Cr
+- Co
+: 3.211111111111111
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+- Cr
+- Cr
+: 3.0888888888888886
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+- Cr
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+: 4.2555555555555555
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+- Cr
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+: 3.011111111111111
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+- Cr
+- Dy
+: 3.484210526315789
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+- Cr
+- Er
+: 3.4526315789473685
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+- Cr
+- Eu
+: 3.547368421052632
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+- Cr
+- Fe
+: 3.2333333333333334
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+- Cr
+- Fr
+: 4.433333333333334
+? !!python/tuple
+- Cr
+- Ga
+: 2.9
+? !!python/tuple
+- Cr
+- Gd
+: 3.526315789473684
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+- Cr
+- Ge
+: 2.8777777777777778
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+- Cr
+- Hf
+: 3.4888888888888885
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+- Cr
+- Hg
+: 3.011111111111111
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+- Cr
+- Ho
+: 3.484210526315789
+? !!python/tuple
+- Cr
+- I
+: 3.0888888888888886
+? !!python/tuple
+- Cr
+- In
+: 3.122222222222222
+? !!python/tuple
+- Cr
+- Ir
+: 3.1111111111111107
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+- Cr
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+: 2.833333333333333
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+- Cr
+- La
+: 3.642105263157895
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+- Cr
+- Lu
+: 3.431578947368421
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+- Cr
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+: 3.333333333333333
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+- Cr
+- Mo
+: 3.255555555555555
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+- Cr
+- Nb
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+- Cr
+- Nd
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+- Cr
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+: 2.922222222222222
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+- Cr
+- Np
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+- Cr
+- Os
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+- Cr
+- Pa
+: 3.766666666666666
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+- Cr
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+- Cr
+- Pd
+: 3.0888888888888886
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+- Cr
+- Pm
+: 3.557894736842105
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+- Cr
+- Po
+: 3.1
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+- Cr
+- Pr
+: 3.6
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+- Cr
+- Pt
+: 3.0555555555555554
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+- Cr
+- Pu
+: 3.622222222222222
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+- Cr
+- Ra
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+- Cr
+- Rb
+: 3.9888888888888885
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+- Cr
+- Re
+: 3.222222222222222
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+- Cr
+- Rh
+: 3.122222222222222
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+- Cr
+- Rn
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+- Cr
+- Ru
+: 3.166666666666666
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+- Cr
+- Sb
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+- Cr
+- Se
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+- Cr
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+- Cr
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+- Cr
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+: 3.711111111111111
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+- Cr
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+: 3.433333333333333
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+- Cr
+- Tb
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+- Cr
+- Tc
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+- Cr
+- Te
+: 3.077777777777777
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+- Cr
+- Th
+: 3.8333333333333335
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+- Cr
+- Tl
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+- Cr
+- Tm
+: 3.463157894736842
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+- Cr
+- U
+: 3.722222222222222
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+- Cr
+- W
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+- Cr
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+: 3.1
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+- Cr
+- Y
+: 3.6555555555555554
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+- Cr
+- Yb
+: 3.431578947368421
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+- Cr
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+- Cr
+- Zr
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+- Cs
+- Ac
+: 5.1
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+- Cs
+- Am
+: 4.711111111111111
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+- Cs
+- At
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+- Cs
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+- Cs
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+- Cs
+- Bi
+: 4.355555555555555
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+- Cs
+- Ce
+: 4.715789473684211
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+- Cs
+- Cm
+: 4.588888888888889
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+- Cs
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+- Cs
+- Dy
+: 4.589473684210526
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+- Cs
+- Er
+: 4.557894736842106
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+- Cs
+- Eu
+: 4.652631578947369
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+- Cs
+- Fr
+: 5.6
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+- Cs
+- Gd
+: 4.631578947368421
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+- Cs
+- Hf
+: 4.655555555555555
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+- Cs
+- Hg
+: 4.177777777777777
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+- Cs
+- Ho
+: 4.589473684210526
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+- Cs
+- Ir
+: 4.277777777777778
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+- Cs
+- La
+: 4.747368421052632
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+- Cs
+- Lu
+: 4.536842105263158
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+- Cs
+- Nd
+: 4.684210526315789
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+- Cs
+- Np
+: 4.822222222222222
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+- Cs
+- Os
+: 4.311111111111111
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+- Cs
+- Pa
+: 4.933333333333333
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+- Cs
+- Pb
+: 4.333333333333333
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+- Cs
+- Pm
+: 4.663157894736842
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+- Cs
+- Po
+: 4.266666666666667
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+- Cs
+- Pr
+: 4.705263157894737
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+- Cs
+- Pt
+: 4.222222222222222
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+- Cs
+- Pu
+: 4.78888888888889
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+- Cs
+- Ra
+: 5.166666666666667
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+- Cs
+- Re
+: 4.388888888888889
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+- Cs
+- Rn
+: 4.377777777777777
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+- Cs
+- Sm
+: 4.652631578947369
+? !!python/tuple
+- Cs
+- Ta
+: 4.6
+? !!python/tuple
+- Cs
+- Tb
+: 4.610526315789474
+? !!python/tuple
+- Cs
+- Th
+: 5.0
+? !!python/tuple
+- Cs
+- Tl
+: 4.322222222222222
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+- Cs
+- Tm
+: 4.568421052631579
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+- Cs
+- U
+: 4.888888888888889
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+- Cs
+- W
+: 4.511111111111112
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+- Cs
+- Yb
+: 4.536842105263158
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+- Cu
+- Ac
+: 3.855555555555555
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+- Cu
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+- Cu
+- Am
+: 3.466666666666667
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+- Cu
+- As
+: 2.7888888888888888
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+- Cu
+- At
+: 3.1333333333333337
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+- Cu
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+- Cu
+- Ba
+: 3.855555555555555
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+- Cu
+- Bi
+: 3.1111111111111107
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+- Cu
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+: 2.8
+? !!python/tuple
+- Cu
+- Cd
+: 3.0666666666666664
+? !!python/tuple
+- Cu
+- Ce
+: 3.5368421052631582
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+- Cu
+- Cm
+: 3.344444444444444
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+- Cu
+- Cs
+: 4.177777777777777
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+- Cu
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+: 2.9333333333333336
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+- Cu
+- Dy
+: 3.410526315789474
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+- Cu
+- Er
+: 3.378947368421053
+? !!python/tuple
+- Cu
+- Eu
+: 3.473684210526316
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+- Cu
+- Fr
+: 4.355555555555555
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+- Cu
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+: 2.8222222222222224
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+- Cu
+- Gd
+: 3.452631578947369
+? !!python/tuple
+- Cu
+- Ge
+: 2.8
+? !!python/tuple
+- Cu
+- Hf
+: 3.4111111111111114
+? !!python/tuple
+- Cu
+- Hg
+: 2.9333333333333336
+? !!python/tuple
+- Cu
+- Ho
+: 3.410526315789474
+? !!python/tuple
+- Cu
+- I
+: 3.011111111111111
+? !!python/tuple
+- Cu
+- In
+: 3.0444444444444447
+? !!python/tuple
+- Cu
+- Ir
+: 3.033333333333333
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+- Cu
+- Kr
+: 2.7555555555555555
+? !!python/tuple
+- Cu
+- La
+: 3.568421052631579
+? !!python/tuple
+- Cu
+- Lu
+: 3.357894736842106
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+- Cu
+- Mo
+: 3.177777777777778
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+- Cu
+- Nb
+: 3.2888888888888888
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+- Cu
+- Nd
+: 3.505263157894737
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+- Cu
+- Np
+: 3.5777777777777775
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+- Cu
+- Os
+: 3.0666666666666664
+? !!python/tuple
+- Cu
+- Pa
+: 3.688888888888889
+? !!python/tuple
+- Cu
+- Pb
+: 3.088888888888889
+? !!python/tuple
+- Cu
+- Pd
+: 3.011111111111111
+? !!python/tuple
+- Cu
+- Pm
+: 3.4842105263157896
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+- Cu
+- Po
+: 3.0222222222222217
+? !!python/tuple
+- Cu
+- Pr
+: 3.526315789473684
+? !!python/tuple
+- Cu
+- Pt
+: 2.977777777777778
+? !!python/tuple
+- Cu
+- Pu
+: 3.5444444444444447
+? !!python/tuple
+- Cu
+- Ra
+: 3.9222222222222225
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+- Cu
+- Rb
+: 3.9111111111111114
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+- Cu
+- Re
+: 3.1444444444444444
+? !!python/tuple
+- Cu
+- Rh
+: 3.0444444444444447
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+- Rn
+: 3.1333333333333337
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+- Cu
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+: 3.088888888888889
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+- Cu
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+: 3.011111111111111
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+- Cu
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+: 2.8
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+- Cu
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+: 3.473684210526316
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+- Cu
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+: 3.011111111111111
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+- Cu
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+: 3.6333333333333333
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+- Cu
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+: 3.3555555555555556
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+- Cu
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+: 3.431578947368421
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+- Cu
+- Tc
+: 3.1
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+- Cu
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+: 3.0
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+- Cu
+- Th
+: 3.7555555555555555
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+- Cu
+- Tl
+: 3.0777777777777775
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+- Cu
+- Tm
+: 3.389473684210526
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+- Cu
+- U
+: 3.644444444444445
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+- Cu
+- W
+: 3.266666666666667
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+- Cu
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+: 3.0222222222222217
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+- Cu
+- Y
+: 3.5777777777777775
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+- Cu
+- Yb
+: 3.357894736842106
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+- Cu
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+: 2.8222222222222224
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+: 3.1333333333333337
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+: 4.28421052631579
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+: 3.9157894736842103
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+: 3.6
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+- Dy
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+- Dy
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+- F
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+- F
+- I
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+- F
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+- F
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+- F
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+- F
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+- F
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+- F
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+- Fe
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+: 3.3052631578947365
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+- Ga
+- Er
+: 3.2736842105263158
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+- Ga
+- Eu
+: 3.368421052631579
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+- Ga
+- Fr
+: 4.2444444444444445
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+- Ga
+- Ga
+: 2.711111111111111
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+- Ga
+- Gd
+: 3.3473684210526313
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+- Ga
+- Ge
+: 2.6888888888888887
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+- Ga
+- Hf
+: 3.3
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+- Ga
+- Hg
+: 2.8222222222222224
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+- Ga
+- Ho
+: 3.3052631578947365
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+- Ga
+- I
+: 2.9
+? !!python/tuple
+- Ga
+- In
+: 2.933333333333333
+? !!python/tuple
+- Ga
+- Ir
+: 2.922222222222222
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+- Ga
+- Kr
+: 2.6444444444444444
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+- Ga
+- La
+: 3.463157894736842
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+- Ga
+- Lu
+: 3.2526315789473683
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+- Ga
+- Mo
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+- Ga
+- Nb
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+- Ga
+- Nd
+: 3.3999999999999995
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+- Ga
+- Np
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+- Ga
+- Os
+: 2.9555555555555557
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+- Ga
+- Pa
+: 3.5777777777777775
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+- Ga
+- Pb
+: 2.9777777777777774
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+- Ga
+- Pd
+: 2.9
+? !!python/tuple
+- Ga
+- Pm
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+- Ga
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+: 2.911111111111111
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+- Ga
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+- Ga
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+- Ga
+- Pu
+: 3.433333333333333
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+- Ga
+- Ra
+: 3.811111111111111
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+- Ga
+- Rb
+: 3.8
+? !!python/tuple
+- Ga
+- Re
+: 3.033333333333333
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+- Ga
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+: 2.933333333333333
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+- Ga
+- Rn
+: 3.0222222222222217
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+- Ga
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+: 2.9777777777777774
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+- Ga
+- Sb
+: 2.9
+? !!python/tuple
+- Ga
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+: 2.6888888888888887
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+- Ga
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+: 3.368421052631579
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+- Ga
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+: 2.9
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+- Ga
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+: 3.522222222222222
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+- Ga
+- Ta
+: 3.2444444444444445
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+- Ga
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+: 3.3263157894736843
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+- Ga
+- Tc
+: 2.988888888888889
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+- Ga
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+- Ga
+- Th
+: 3.644444444444445
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+- Ga
+- Tl
+: 2.9666666666666663
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+- Ga
+- Tm
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+- Ga
+- U
+: 3.5333333333333328
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+- Ga
+- W
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+- Ga
+- Xe
+: 2.911111111111111
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+- Y
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+- Ga
+- Yb
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+- Ga
+- Zr
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+- Gd
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+: 4.326315789473684
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+- Gd
+- Am
+: 3.957894736842105
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+- Gd
+- At
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+- Gd
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+- Gd
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+- Gd
+- Cm
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+- Gd
+- Dy
+: 4.08421052631579
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+- Gd
+- Er
+: 4.052631578947368
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+- Gd
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+- Gd
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+- Gd
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+- Gd
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+- Gd
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+- Gd
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+- Gd
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+: 4.031578947368422
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+- Gd
+- Np
+: 4.063157894736842
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+- Gd
+- Os
+: 3.5789473684210527
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+- Gd
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+: 4.1684210526315795
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+- Gd
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+: 3.6
+? !!python/tuple
+- Gd
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+: 3.536842105263158
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+- Gd
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+: 3.494736842105264
+? !!python/tuple
+- Gd
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+: 4.031578947368422
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+- Gd
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+: 4.389473684210526
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+- Gd
+- Re
+: 3.6526315789473682
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+- Gd
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+: 3.642105263157895
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+- Gd
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+: 3.852631578947369
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+- Gd
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+: 4.105263157894737
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+- Gd
+- Th
+: 4.231578947368421
+? !!python/tuple
+- Gd
+- Tl
+: 3.589473684210527
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+- Gd
+- Tm
+: 4.063157894736842
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+- Gd
+- U
+: 4.126315789473685
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+- Gd
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+- Gd
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+: 4.031578947368422
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+- Ge
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+: 3.722222222222222
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+- Ge
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+- Ge
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+- Ge
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+: 2.655555555555555
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+- Ge
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+- Ge
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+- Ge
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+: 3.722222222222222
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+- Ge
+- Bi
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+- Ge
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+- Ge
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+: 2.933333333333333
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+- Ge
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+: 3.410526315789474
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+- Ge
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+: 3.211111111111111
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+- Ge
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+: 4.044444444444444
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+- Ge
+- Dy
+: 3.28421052631579
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+- Ge
+- Er
+: 3.2526315789473683
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+- Ge
+- Eu
+: 3.3473684210526313
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+- Ge
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+: 4.222222222222222
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+- Ge
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+: 3.3263157894736843
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+- Ge
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+- Ge
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+: 3.2777777777777777
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+- Ge
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+: 2.8
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+- Ge
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+: 3.28421052631579
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+- Ge
+- I
+: 2.8777777777777778
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+- Ge
+- In
+: 2.911111111111111
+? !!python/tuple
+- Ge
+- Ir
+: 2.9
+? !!python/tuple
+- Ge
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+: 2.6222222222222222
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+- Ge
+- La
+: 3.4421052631578943
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+- Ge
+- Lu
+: 3.2315789473684213
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+- Ge
+- Mo
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+- Ge
+- Nb
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+- Ge
+- Nd
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+- Ge
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+: 3.4444444444444438
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+- Ge
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+: 2.933333333333333
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+- Ge
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+: 3.555555555555556
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+- Ge
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+: 2.9555555555555557
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+- Ge
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+: 2.8777777777777778
+? !!python/tuple
+- Ge
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+- Ge
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+: 2.8888888888888884
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+- Ge
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+- Ge
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+- Ge
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+: 3.4111111111111114
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+- Ge
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+- Ge
+- Rb
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+- Ge
+- Re
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+- Ge
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+: 2.911111111111111
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+- Ge
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+- Ge
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+: 2.9555555555555557
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+- Ge
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+: 2.8777777777777778
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+- Ge
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+- Ge
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+- Ge
+- Sn
+: 2.8777777777777778
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+- Ge
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+- Ge
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+: 3.222222222222222
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+- Ge
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+- Ge
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+- Ge
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+- Ge
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+- Ge
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+- Ge
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+- Ge
+- U
+: 3.511111111111111
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+- W
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+- Ge
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+- Ge
+- Y
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+- Ge
+- Yb
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+- Ge
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+: 2.3866666666666667
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+- H
+- Br
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+- H
+- C
+: 1.3375
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+- H
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+- H
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+- H
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+- H
+- C_R
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+- H
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+: 2.76
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+- H
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+- H
+- Ce
+: 2.473684210526316
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+: 2.1733333333333333
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+- H
+- Dy
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+- H
+- Er
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+- H
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+- H
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+- H
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+: 2.44
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
+- I
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+- H
+- In
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+- H
+- Ir
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+- H
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+- H
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+- H
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+- H
+- N
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+- H
+- Nb
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+- H
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+- H
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+- H
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+- H
+- O
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+- P
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
+- Re
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- H
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+: 2.3789473684210525
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+- He
+- F
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
+- Hg
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+- He
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+- He
+- I
+: 1.8555555555555554
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+- He
+- In
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+- He
+- Ir
+: 1.8777777777777778
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- He
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+- I
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+- I
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+- I
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+- I
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+- I
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+- I
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+- Rh
+: 3.631578947368421
+? !!python/tuple
+- K
+- Rn
+: 3.7157894736842105
+? !!python/tuple
+- K
+- Ru
+: 3.6736842105263157
+? !!python/tuple
+- K
+- Sb
+: 3.6
+? !!python/tuple
+- K
+- Sc
+: 3.926315789473684
+? !!python/tuple
+- K
+- Se
+: 3.3999999999999995
+? !!python/tuple
+- K
+- Sm
+: 4.221052631578948
+? !!python/tuple
+- K
+- Sn
+: 3.6
+? !!python/tuple
+- K
+- Sr
+: 4.189473684210526
+? !!python/tuple
+- K
+- Ta
+: 3.926315789473684
+? !!python/tuple
+- K
+- Tb
+: 4.178947368421053
+? !!python/tuple
+- K
+- Tc
+: 3.68421052631579
+? !!python/tuple
+- K
+- Te
+: 3.5894736842105264
+? !!python/tuple
+- K
+- Th
+: 4.3052631578947365
+? !!python/tuple
+- K
+- Ti
+: 3.8210526315789473
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+- K
+- Tl
+: 3.663157894736842
+? !!python/tuple
+- K
+- Tm
+: 4.136842105263158
+? !!python/tuple
+- K
+- U
+: 4.2
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+- K
+- V
+: 3.7473684210526312
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+- K
+- W
+: 3.8421052631578947
+? !!python/tuple
+- K
+- Xe
+: 3.6105263157894734
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+- K
+- Y
+: 4.136842105263158
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+- K
+- Yb
+: 4.105263157894737
+? !!python/tuple
+- K
+- Zn
+: 3.4210526315789473
+? !!python/tuple
+- K
+- Zr
+: 3.7157894736842105
+? !!python/tuple
+- Kr
+- Ac
+: 3.677777777777777
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+- Kr
+- Ag
+: 2.9
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+- Kr
+- Am
+: 3.2888888888888888
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+- Kr
+- At
+: 2.9555555555555557
+? !!python/tuple
+- Kr
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+: 2.8
+? !!python/tuple
+- Kr
+- Ba
+: 3.677777777777777
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+- Kr
+- Bi
+: 2.933333333333333
+? !!python/tuple
+- Kr
+- Cd
+: 2.8888888888888884
+? !!python/tuple
+- Kr
+- Ce
+: 3.368421052631579
+? !!python/tuple
+- Kr
+- Cm
+: 3.166666666666666
+? !!python/tuple
+- Kr
+- Cs
+: 3.9999999999999996
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+- Kr
+- Dy
+: 3.242105263157895
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+- Kr
+- Er
+: 3.2105263157894735
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+- Kr
+- Eu
+: 3.3052631578947365
+? !!python/tuple
+- Kr
+- Fr
+: 4.177777777777777
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+- Kr
+- Gd
+: 3.28421052631579
+? !!python/tuple
+- Kr
+- Hf
+: 3.2333333333333334
+? !!python/tuple
+- Kr
+- Hg
+: 2.7555555555555555
+? !!python/tuple
+- Kr
+- Ho
+: 3.242105263157895
+? !!python/tuple
+- Kr
+- I
+: 2.833333333333333
+? !!python/tuple
+- Kr
+- In
+: 2.8666666666666667
+? !!python/tuple
+- Kr
+- Ir
+: 2.855555555555555
+? !!python/tuple
+- Kr
+- Kr
+: 2.5777777777777775
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+- Kr
+- La
+: 3.3999999999999995
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+- Kr
+- Lu
+: 3.189473684210527
+? !!python/tuple
+- Kr
+- Mo
+: 3.0
+? !!python/tuple
+- Kr
+- Nb
+: 3.1111111111111107
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+- Kr
+- Nd
+: 3.336842105263158
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+- Kr
+- Np
+: 3.3999999999999995
+? !!python/tuple
+- Kr
+- Os
+: 2.8888888888888884
+? !!python/tuple
+- Kr
+- Pa
+: 3.511111111111111
+? !!python/tuple
+- Kr
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+: 2.911111111111111
+? !!python/tuple
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+: 2.833333333333333
+? !!python/tuple
+- Kr
+- Pm
+: 3.3157894736842106
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+- Kr
+- Po
+: 2.844444444444444
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+- Kr
+- Pr
+: 3.357894736842105
+? !!python/tuple
+- Kr
+- Pt
+: 2.8
+? !!python/tuple
+- Kr
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+: 3.3666666666666667
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+- Kr
+- Ra
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+- Kr
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+: 3.7333333333333334
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+- Kr
+- Re
+: 2.9666666666666663
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+- Kr
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+: 2.8666666666666667
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+- Kr
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+: 2.9555555555555557
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+- Kr
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+: 2.911111111111111
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+- Kr
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+: 2.833333333333333
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+- Kr
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+- Kr
+- Sn
+: 2.833333333333333
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+- Kr
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+- Kr
+- Ta
+: 3.1777777777777776
+? !!python/tuple
+- Kr
+- Tb
+: 3.263157894736842
+? !!python/tuple
+- Kr
+- Tc
+: 2.922222222222222
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+- Kr
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+: 2.8222222222222224
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+- Kr
+- Th
+: 3.5777777777777775
+? !!python/tuple
+- Kr
+- Tl
+: 2.9
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+- Kr
+- Tm
+: 3.221052631578947
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+- Kr
+- U
+: 3.466666666666667
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+- Kr
+- W
+: 3.088888888888889
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+- Kr
+- Xe
+: 2.844444444444444
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+- Kr
+- Y
+: 3.3999999999999995
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+- Kr
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+: 3.189473684210527
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+- Kr
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+: 2.9555555555555557
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+: 4.442105263157894
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+- La
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+: 4.0736842105263165
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+- La
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+- La
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+- La
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+- La
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+: 4.326315789473684
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+- La
+- Cm
+: 3.957894736842105
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+- La
+- Dy
+: 4.2
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+- La
+- Er
+: 4.1684210526315795
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+- La
+- Eu
+: 4.2631578947368425
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+- La
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+- La
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+: 4.242105263157894
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+- La
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+: 4.021052631578947
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+- La
+- Hg
+: 3.568421052631579
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+- La
+- Ho
+: 4.2
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+- La
+- Ir
+: 3.663157894736842
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+- La
+- La
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+- La
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+- Nd
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+- La
+- Np
+: 4.178947368421053
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+- La
+- Os
+: 3.694736842105263
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+- La
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+: 4.28421052631579
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+- La
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+: 3.7157894736842105
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+- La
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+: 4.273684210526316
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+- La
+- Po
+: 3.6526315789473682
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+- La
+- Pr
+: 4.315789473684211
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+- La
+- Pt
+: 3.6105263157894734
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+- La
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+: 4.147368421052632
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+- La
+- Ra
+: 4.505263157894737
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+- La
+- Re
+: 3.768421052631579
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+- La
+- Rn
+: 3.7578947368421054
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+- La
+- Sm
+: 4.2631578947368425
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+- La
+- Ta
+: 3.968421052631579
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+- La
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+: 4.221052631578948
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+- La
+- Th
+: 4.347368421052631
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+- La
+- Tl
+: 3.7052631578947364
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+- La
+- Tm
+: 4.178947368421053
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+- La
+- U
+: 4.242105263157894
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+- La
+- W
+: 3.8842105263157896
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+- La
+- Yb
+: 4.147368421052632
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+: 3.811111111111111
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+- Li
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+: 3.033333333333333
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+- Li
+- Al
+: 2.766666666666667
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+- Li
+- Am
+: 3.422222222222222
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+- Li
+- Ar
+: 2.5999999999999996
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+- Li
+- As
+: 2.744444444444444
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+- Li
+- At
+: 3.088888888888889
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+- Li
+- Au
+: 2.9333333333333336
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+- Li
+- B
+: 2.3555555555555556
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+- Li
+- Ba
+: 3.811111111111111
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+- Li
+- Be
+: 2.488888888888889
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+- Li
+- Bi
+: 3.0666666666666664
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+- Li
+- Br
+: 2.7555555555555555
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+- Li
+- C
+: 2.1473684210526316
+? !!python/tuple
+- Li
+- C_1
+: 2.1888888888888887
+? !!python/tuple
+- Li
+- C_2
+: 2.233333333333333
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+- Li
+- C_3
+: 2.2666666666666666
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+- Li
+- C_R
+: 2.233333333333333
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+- Li
+- Ca
+: 3.3777777777777778
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+- Li
+- Cd
+: 3.0222222222222217
+? !!python/tuple
+- Li
+- Ce
+: 3.494736842105264
+? !!python/tuple
+- Li
+- Cl
+: 2.5555555555555554
+? !!python/tuple
+- Li
+- Cm
+: 3.3
+? !!python/tuple
+- Li
+- Co
+: 3.088888888888889
+? !!python/tuple
+- Li
+- Cr
+: 2.9666666666666663
+? !!python/tuple
+- Li
+- Cs
+: 4.133333333333333
+? !!python/tuple
+- Li
+- Cu
+: 2.888888888888889
+? !!python/tuple
+- Li
+- Dy
+: 3.368421052631579
+? !!python/tuple
+- Li
+- Er
+: 3.336842105263158
+? !!python/tuple
+- Li
+- Eu
+: 3.431578947368421
+? !!python/tuple
+- Li
+- F
+: 2.3125
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+- Li
+- Fe
+: 3.1111111111111107
+? !!python/tuple
+- Li
+- Fr
+: 4.311111111111111
+? !!python/tuple
+- Li
+- Ga
+: 2.7777777777777777
+? !!python/tuple
+- Li
+- Gd
+: 3.410526315789474
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+- Li
+- Ge
+: 2.7555555555555555
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+- Li
+- Hf
+: 3.3666666666666667
+? !!python/tuple
+- Li
+- Hg
+: 2.888888888888889
+? !!python/tuple
+- Li
+- Ho
+: 3.368421052631579
+? !!python/tuple
+- Li
+- I
+: 2.9666666666666663
+? !!python/tuple
+- Li
+- In
+: 3.0
+? !!python/tuple
+- Li
+- Ir
+: 2.988888888888889
+? !!python/tuple
+- Li
+- K
+: 3.484210526315789
+? !!python/tuple
+- Li
+- Kr
+: 2.711111111111111
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+- Li
+- La
+: 3.526315789473684
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+- Li
+- Li
+: 2.8444444444444446
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+- Li
+- Lu
+: 3.315789473684211
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+- Li
+- Mg
+: 2.988888888888889
+? !!python/tuple
+- Li
+- Mn
+: 3.2111111111111112
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+- Li
+- Mo
+: 3.1333333333333337
+? !!python/tuple
+- Li
+- N
+: 2.426829268292683
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+- Li
+- Na
+: 3.2666666666666666
+? !!python/tuple
+- Li
+- Nb
+: 3.2444444444444445
+? !!python/tuple
+- Li
+- Nd
+: 3.463157894736842
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+- Li
+- Ne
+: 2.0666666666666664
+? !!python/tuple
+- Li
+- Ni
+: 2.8
+? !!python/tuple
+- Li
+- Np
+: 3.5333333333333328
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+- Li
+- O
+: 2.2823529411764705
+? !!python/tuple
+- Li
+- Os
+: 3.0222222222222217
+? !!python/tuple
+- Li
+- P
+: 2.611111111111111
+? !!python/tuple
+- Li
+- Pa
+: 3.644444444444445
+? !!python/tuple
+- Li
+- Pb
+: 3.0444444444444447
+? !!python/tuple
+- Li
+- Pd
+: 2.9666666666666663
+? !!python/tuple
+- Li
+- Pm
+: 3.442105263157895
+? !!python/tuple
+- Li
+- Po
+: 2.9777777777777774
+? !!python/tuple
+- Li
+- Pr
+: 3.484210526315789
+? !!python/tuple
+- Li
+- Pt
+: 2.9333333333333336
+? !!python/tuple
+- Li
+- Pu
+: 3.5000000000000004
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+- Li
+- Ra
+: 3.8777777777777778
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+- Li
+- Rb
+: 3.866666666666667
+? !!python/tuple
+- Li
+- Re
+: 3.1
+? !!python/tuple
+- Li
+- Rh
+: 3.0
+? !!python/tuple
+- Li
+- Rn
+: 3.088888888888889
+? !!python/tuple
+- Li
+- Ru
+: 3.0444444444444447
+? !!python/tuple
+- Li
+- S
+: 2.588888888888889
+? !!python/tuple
+- Li
+- Sb
+: 2.9666666666666663
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+- Li
+- Sc
+: 3.311111111111111
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+- Li
+- Se
+: 2.7555555555555555
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+- Li
+- Si
+: 2.6555555555555554
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+- Li
+- Sm
+: 3.431578947368421
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+- Li
+- Sn
+: 2.9666666666666663
+? !!python/tuple
+- Li
+- Sr
+: 3.5888888888888886
+? !!python/tuple
+- Li
+- Ta
+: 3.311111111111111
+? !!python/tuple
+- Li
+- Tb
+: 3.389473684210526
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+- Li
+- Tc
+: 3.0555555555555554
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+- Li
+- Te
+: 2.9555555555555557
+? !!python/tuple
+- Li
+- Th
+: 3.711111111111111
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+- Li
+- Ti
+: 3.1999999999999997
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+- Li
+- Tl
+: 3.033333333333333
+? !!python/tuple
+- Li
+- Tm
+: 3.3473684210526313
+? !!python/tuple
+- Li
+- U
+: 3.6
+? !!python/tuple
+- Li
+- V
+: 3.1222222222222222
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+- Li
+- W
+: 3.2222222222222223
+? !!python/tuple
+- Li
+- Xe
+: 2.9777777777777774
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+- Li
+- Y
+: 3.5333333333333328
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+- Li
+- Yb
+: 3.315789473684211
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+- Li
+- Zn
+: 2.7777777777777777
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+- Li
+- Zr
+: 3.088888888888889
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+- Lu
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+: 4.231578947368421
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+- Lu
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+: 3.863157894736842
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+- Lu
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+- Lu
+- Cm
+: 3.7473684210526317
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+- Lu
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+: 4.705263157894738
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+- Lu
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+: 3.810526315789474
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+- Lu
+- Hg
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+- Lu
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+- Lu
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+- Lu
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+- Lu
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+- Lu
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+: 4.294736842105263
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+- Lu
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+- Lu
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+- Lu
+- Th
+: 4.136842105263158
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+- Lu
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+- Lu
+- U
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+- Lu
+- W
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+: 3.955555555555555
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+- Mg
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+: 3.211111111111111
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+? !!python/tuple
+- Mg
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+- Mg
+- Er
+: 3.473684210526316
+? !!python/tuple
+- Mg
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+- Mg
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+- Mg
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+- Mg
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+- Mg
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+? !!python/tuple
+- Mg
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+? !!python/tuple
+- Mg
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+? !!python/tuple
+- Mg
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+: 3.033333333333333
+? !!python/tuple
+- Mg
+- Ho
+: 3.505263157894737
+? !!python/tuple
+- Mg
+- I
+: 3.1111111111111107
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+- Mg
+- In
+: 3.1444444444444444
+? !!python/tuple
+- Mg
+- Ir
+: 3.133333333333333
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+- Mg
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+- Mg
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+: 2.855555555555555
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+- Mg
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+: 3.663157894736842
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+- Mg
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+- Mg
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+- Mg
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+- Mg
+- Mo
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+- Mg
+- Nb
+: 3.3888888888888884
+? !!python/tuple
+- Mg
+- Nd
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+- Mg
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+? !!python/tuple
+- Mg
+- Np
+: 3.677777777777777
+? !!python/tuple
+- Mg
+- Os
+: 3.166666666666666
+? !!python/tuple
+- Mg
+- P
+: 2.7555555555555555
+? !!python/tuple
+- Mg
+- Pa
+: 3.7888888888888888
+? !!python/tuple
+- Mg
+- Pb
+: 3.188888888888889
+? !!python/tuple
+- Mg
+- Pd
+: 3.1111111111111107
+? !!python/tuple
+- Mg
+- Pm
+: 3.5789473684210527
+? !!python/tuple
+- Mg
+- Po
+: 3.122222222222222
+? !!python/tuple
+- Mg
+- Pr
+: 3.621052631578947
+? !!python/tuple
+- Mg
+- Pt
+: 3.0777777777777775
+? !!python/tuple
+- Mg
+- Pu
+: 3.644444444444445
+? !!python/tuple
+- Mg
+- Ra
+: 4.022222222222222
+? !!python/tuple
+- Mg
+- Rb
+: 4.011111111111111
+? !!python/tuple
+- Mg
+- Re
+: 3.2444444444444445
+? !!python/tuple
+- Mg
+- Rh
+: 3.1444444444444444
+? !!python/tuple
+- Mg
+- Rn
+: 3.2333333333333334
+? !!python/tuple
+- Mg
+- Ru
+: 3.188888888888889
+? !!python/tuple
+- Mg
+- S
+: 2.7333333333333334
+? !!python/tuple
+- Mg
+- Sb
+: 3.1111111111111107
+? !!python/tuple
+- Mg
+- Sc
+: 3.4555555555555553
+? !!python/tuple
+- Mg
+- Se
+: 2.9
+? !!python/tuple
+- Mg
+- Si
+: 2.8
+? !!python/tuple
+- Mg
+- Sm
+: 3.568421052631579
+? !!python/tuple
+- Mg
+- Sn
+: 3.1111111111111107
+? !!python/tuple
+- Mg
+- Sr
+: 3.733333333333333
+? !!python/tuple
+- Mg
+- Ta
+: 3.4555555555555553
+? !!python/tuple
+- Mg
+- Tb
+: 3.526315789473684
+? !!python/tuple
+- Mg
+- Tc
+: 3.1999999999999997
+? !!python/tuple
+- Mg
+- Te
+: 3.1
+? !!python/tuple
+- Mg
+- Th
+: 3.855555555555555
+? !!python/tuple
+- Mg
+- Ti
+: 3.344444444444444
+? !!python/tuple
+- Mg
+- Tl
+: 3.1777777777777776
+? !!python/tuple
+- Mg
+- Tm
+: 3.484210526315789
+? !!python/tuple
+- Mg
+- U
+: 3.7444444444444445
+? !!python/tuple
+- Mg
+- V
+: 3.2666666666666666
+? !!python/tuple
+- Mg
+- W
+: 3.3666666666666667
+? !!python/tuple
+- Mg
+- Xe
+: 3.122222222222222
+? !!python/tuple
+- Mg
+- Y
+: 3.677777777777777
+? !!python/tuple
+- Mg
+- Yb
+: 3.452631578947369
+? !!python/tuple
+- Mg
+- Zn
+: 2.922222222222222
+? !!python/tuple
+- Mg
+- Zr
+: 3.2333333333333334
+? !!python/tuple
+- Mn
+- Ac
+: 4.177777777777777
+? !!python/tuple
+- Mn
+- Ag
+: 3.4
+? !!python/tuple
+- Mn
+- Am
+: 3.7888888888888888
+? !!python/tuple
+- Mn
+- As
+: 3.1111111111111107
+? !!python/tuple
+- Mn
+- At
+: 3.4555555555555557
+? !!python/tuple
+- Mn
+- Au
+: 3.3000000000000003
+? !!python/tuple
+- Mn
+- Ba
+: 4.177777777777777
+? !!python/tuple
+- Mn
+- Bi
+: 3.433333333333333
+? !!python/tuple
+- Mn
+- Br
+: 3.1222222222222222
+? !!python/tuple
+- Mn
+- Cd
+: 3.3888888888888884
+? !!python/tuple
+- Mn
+- Ce
+: 3.842105263157895
+? !!python/tuple
+- Mn
+- Cm
+: 3.6666666666666665
+? !!python/tuple
+- Mn
+- Co
+: 3.4555555555555557
+? !!python/tuple
+- Mn
+- Cs
+: 4.5
+? !!python/tuple
+- Mn
+- Cu
+: 3.2555555555555555
+? !!python/tuple
+- Mn
+- Dy
+: 3.715789473684211
+? !!python/tuple
+- Mn
+- Er
+: 3.68421052631579
+? !!python/tuple
+- Mn
+- Eu
+: 3.778947368421053
+? !!python/tuple
+- Mn
+- Fe
+: 3.4777777777777774
+? !!python/tuple
+- Mn
+- Fr
+: 4.677777777777778
+? !!python/tuple
+- Mn
+- Ga
+: 3.1444444444444444
+? !!python/tuple
+- Mn
+- Gd
+: 3.757894736842106
+? !!python/tuple
+- Mn
+- Ge
+: 3.1222222222222222
+? !!python/tuple
+- Mn
+- Hf
+: 3.7333333333333334
+? !!python/tuple
+- Mn
+- Hg
+: 3.2555555555555555
+? !!python/tuple
+- Mn
+- Ho
+: 3.715789473684211
+? !!python/tuple
+- Mn
+- I
+: 3.333333333333333
+? !!python/tuple
+- Mn
+- In
+: 3.3666666666666667
+? !!python/tuple
+- Mn
+- Ir
+: 3.3555555555555556
+? !!python/tuple
+- Mn
+- Kr
+: 3.0777777777777775
+? !!python/tuple
+- Mn
+- La
+: 3.873684210526316
+? !!python/tuple
+- Mn
+- Lu
+: 3.663157894736843
+? !!python/tuple
+- Mn
+- Mn
+: 3.577777777777778
+? !!python/tuple
+- Mn
+- Mo
+: 3.5000000000000004
+? !!python/tuple
+- Mn
+- Nb
+: 3.611111111111111
+? !!python/tuple
+- Mn
+- Nd
+: 3.810526315789474
+? !!python/tuple
+- Mn
+- Ni
+: 3.1666666666666665
+? !!python/tuple
+- Mn
+- Np
+: 3.8999999999999995
+? !!python/tuple
+- Mn
+- Os
+: 3.3888888888888884
+? !!python/tuple
+- Mn
+- Pa
+: 4.011111111111111
+? !!python/tuple
+- Mn
+- Pb
+: 3.4111111111111114
+? !!python/tuple
+- Mn
+- Pd
+: 3.333333333333333
+? !!python/tuple
+- Mn
+- Pm
+: 3.7894736842105265
+? !!python/tuple
+- Mn
+- Po
+: 3.344444444444444
+? !!python/tuple
+- Mn
+- Pr
+: 3.831578947368421
+? !!python/tuple
+- Mn
+- Pt
+: 3.3000000000000003
+? !!python/tuple
+- Mn
+- Pu
+: 3.866666666666667
+? !!python/tuple
+- Mn
+- Ra
+: 4.2444444444444445
+? !!python/tuple
+- Mn
+- Rb
+: 4.233333333333333
+? !!python/tuple
+- Mn
+- Re
+: 3.466666666666667
+? !!python/tuple
+- Mn
+- Rh
+: 3.3666666666666667
+? !!python/tuple
+- Mn
+- Rn
+: 3.4555555555555557
+? !!python/tuple
+- Mn
+- Ru
+: 3.4111111111111114
+? !!python/tuple
+- Mn
+- Sb
+: 3.333333333333333
+? !!python/tuple
+- Mn
+- Se
+: 3.1222222222222222
+? !!python/tuple
+- Mn
+- Sm
+: 3.778947368421053
+? !!python/tuple
+- Mn
+- Sn
+: 3.333333333333333
+? !!python/tuple
+- Mn
+- Sr
+: 3.9555555555555557
+? !!python/tuple
+- Mn
+- Ta
+: 3.6777777777777776
+? !!python/tuple
+- Mn
+- Tb
+: 3.736842105263158
+? !!python/tuple
+- Mn
+- Tc
+: 3.422222222222222
+? !!python/tuple
+- Mn
+- Te
+: 3.3222222222222224
+? !!python/tuple
+- Mn
+- Th
+: 4.0777777777777775
+? !!python/tuple
+- Mn
+- Tl
+: 3.4
+? !!python/tuple
+- Mn
+- Tm
+: 3.694736842105263
+? !!python/tuple
+- Mn
+- U
+: 3.966666666666667
+? !!python/tuple
+- Mn
+- W
+: 3.5888888888888895
+? !!python/tuple
+- Mn
+- Xe
+: 3.344444444444444
+? !!python/tuple
+- Mn
+- Y
+: 3.8999999999999995
+? !!python/tuple
+- Mn
+- Yb
+: 3.663157894736843
+? !!python/tuple
+- Mn
+- Zn
+: 3.1444444444444444
+? !!python/tuple
+- Mn
+- Zr
+: 3.4555555555555557
+? !!python/tuple
+- Mo
+- Ac
+: 4.1
+? !!python/tuple
+- Mo
+- Ag
+: 3.3222222222222224
+? !!python/tuple
+- Mo
+- Am
+: 3.711111111111111
+? !!python/tuple
+- Mo
+- At
+: 3.3777777777777778
+? !!python/tuple
+- Mo
+- Au
+: 3.2222222222222223
+? !!python/tuple
+- Mo
+- Ba
+: 4.1
+? !!python/tuple
+- Mo
+- Bi
+: 3.3555555555555556
+? !!python/tuple
+- Mo
+- Cd
+: 3.311111111111111
+? !!python/tuple
+- Mo
+- Ce
+: 3.768421052631579
+? !!python/tuple
+- Mo
+- Cm
+: 3.5888888888888886
+? !!python/tuple
+- Mo
+- Cs
+: 4.4222222222222225
+? !!python/tuple
+- Mo
+- Dy
+: 3.642105263157895
+? !!python/tuple
+- Mo
+- Er
+: 3.6105263157894734
+? !!python/tuple
+- Mo
+- Eu
+: 3.705263157894737
+? !!python/tuple
+- Mo
+- Fr
+: 4.6000000000000005
+? !!python/tuple
+- Mo
+- Gd
+: 3.68421052631579
+? !!python/tuple
+- Mo
+- Hf
+: 3.6555555555555554
+? !!python/tuple
+- Mo
+- Hg
+: 3.177777777777778
+? !!python/tuple
+- Mo
+- Ho
+: 3.642105263157895
+? !!python/tuple
+- Mo
+- I
+: 3.255555555555555
+? !!python/tuple
+- Mo
+- In
+: 3.2888888888888888
+? !!python/tuple
+- Mo
+- Ir
+: 3.2777777777777777
+? !!python/tuple
+- Mo
+- La
+: 3.8000000000000003
+? !!python/tuple
+- Mo
+- Lu
+: 3.589473684210527
+? !!python/tuple
+- Mo
+- Mo
+: 3.422222222222222
+? !!python/tuple
+- Mo
+- Nd
+: 3.736842105263158
+? !!python/tuple
+- Mo
+- Np
+: 3.822222222222222
+? !!python/tuple
+- Mo
+- Os
+: 3.311111111111111
+? !!python/tuple
+- Mo
+- Pa
+: 3.933333333333333
+? !!python/tuple
+- Mo
+- Pb
+: 3.333333333333333
+? !!python/tuple
+- Mo
+- Pd
+: 3.255555555555555
+? !!python/tuple
+- Mo
+- Pm
+: 3.715789473684211
+? !!python/tuple
+- Mo
+- Po
+: 3.2666666666666666
+? !!python/tuple
+- Mo
+- Pr
+: 3.7578947368421054
+? !!python/tuple
+- Mo
+- Pt
+: 3.2222222222222223
+? !!python/tuple
+- Mo
+- Pu
+: 3.7888888888888888
+? !!python/tuple
+- Mo
+- Ra
+: 4.166666666666667
+? !!python/tuple
+- Mo
+- Re
+: 3.3888888888888884
+? !!python/tuple
+- Mo
+- Rh
+: 3.2888888888888888
+? !!python/tuple
+- Mo
+- Rn
+: 3.3777777777777778
+? !!python/tuple
+- Mo
+- Ru
+: 3.333333333333333
+? !!python/tuple
+- Mo
+- Sb
+: 3.255555555555555
+? !!python/tuple
+- Mo
+- Sm
+: 3.705263157894737
+? !!python/tuple
+- Mo
+- Sn
+: 3.255555555555555
+? !!python/tuple
+- Mo
+- Ta
+: 3.6
+? !!python/tuple
+- Mo
+- Tb
+: 3.6631578947368424
+? !!python/tuple
+- Mo
+- Tc
+: 3.344444444444444
+? !!python/tuple
+- Mo
+- Te
+: 3.2444444444444445
+? !!python/tuple
+- Mo
+- Th
+: 4.0
+? !!python/tuple
+- Mo
+- Tl
+: 3.3222222222222224
+? !!python/tuple
+- Mo
+- Tm
+: 3.6210526315789475
+? !!python/tuple
+- Mo
+- U
+: 3.888888888888889
+? !!python/tuple
+- Mo
+- W
+: 3.511111111111111
+? !!python/tuple
+- Mo
+- Xe
+: 3.2666666666666666
+? !!python/tuple
+- Mo
+- Yb
+: 3.589473684210527
+? !!python/tuple
+- N
+- Ac
+: 3.1777777777777776
+? !!python/tuple
+- N
+- Ag
+: 2.6341463414634148
+? !!python/tuple
+- N
+- Al
+: 2.341463414634146
+? !!python/tuple
+- N
+- Am
+: 2.7888888888888888
+? !!python/tuple
+- N
+- Ar
+: 1.9666666666666666
+? !!python/tuple
+- N
+- As
+: 2.317073170731707
+? !!python/tuple
+- N
+- At
+: 2.6951219512195124
+? !!python/tuple
+- N
+- Au
+: 2.5243902439024395
+? !!python/tuple
+- N
+- Ba
+: 3.4878048780487805
+? !!python/tuple
+- N
+- Bi
+: 2.6707317073170733
+? !!python/tuple
+- N
+- Br
+: 2.1222222222222222
+? !!python/tuple
+- N
+- Ca
+: 3.0121951219512195
+? !!python/tuple
+- N
+- Cd
+: 2.6219512195121952
+? !!python/tuple
+- N
+- Ce
+: 2.8947368421052633
+? !!python/tuple
+- N
+- Cl
+: 1.922222222222222
+? !!python/tuple
+- N
+- Cm
+: 2.6666666666666665
+? !!python/tuple
+- N
+- Co
+: 2.6951219512195124
+? !!python/tuple
+- N
+- Cr
+: 2.560975609756097
+? !!python/tuple
+- N
+- Cs
+: 3.8414634146341466
+? !!python/tuple
+- N
+- Cu
+: 2.4756097560975614
+? !!python/tuple
+- N
+- Dy
+: 2.768421052631579
+? !!python/tuple
+- N
+- Er
+: 2.7368421052631575
+? !!python/tuple
+- N
+- Eu
+: 2.831578947368421
+? !!python/tuple
+- N
+- F
+: 1.422222222222222
+? !!python/tuple
+- N
+- Fe
+: 2.7195121951219514
+? !!python/tuple
+- N
+- Fr
+: 4.036585365853659
+? !!python/tuple
+- N
+- Ga
+: 2.3536585365853657
+? !!python/tuple
+- N
+- Gd
+: 2.8105263157894735
+? !!python/tuple
+- N
+- Ge
+: 2.3292682926829267
+? !!python/tuple
+- N
+- Hf
+: 3.0
+? !!python/tuple
+- N
+- Hg
+: 2.4756097560975614
+? !!python/tuple
+- N
+- Ho
+: 2.768421052631579
+? !!python/tuple
+- N
+- I
+: 2.333333333333333
+? !!python/tuple
+- N
+- In
+: 2.597560975609756
+? !!python/tuple
+- N
+- Ir
+: 2.5853658536585367
+? !!python/tuple
+- N
+- K
+: 2.8842105263157896
+? !!python/tuple
+- N
+- Kr
+: 2.0777777777777775
+? !!python/tuple
+- N
+- La
+: 2.926315789473684
+? !!python/tuple
+- N
+- Lu
+: 2.7157894736842105
+? !!python/tuple
+- N
+- Mg
+: 2.65
+? !!python/tuple
+- N
+- Mn
+: 2.8292682926829276
+? !!python/tuple
+- N
+- Mo
+: 2.7439024390243905
+? !!python/tuple
+- N
+- N
+: 1.5777777777777777
+? !!python/tuple
+- N
+- Na
+: 2.8902439024390247
+? !!python/tuple
+- N
+- Nb
+: 2.8658536585365852
+? !!python/tuple
+- N
+- Nd
+: 2.863157894736842
+? !!python/tuple
+- N
+- Ne
+: 1.4333333333333333
+? !!python/tuple
+- N
+- Ni
+: 2.3780487804878048
+? !!python/tuple
+- N
+- Np
+: 2.9
+? !!python/tuple
+- N
+- O
+: 1.5222222222222224
+? !!python/tuple
+- N
+- Os
+: 2.6219512195121952
+? !!python/tuple
+- N
+- P
+: 1.9777777777777779
+? !!python/tuple
+- N
+- Pa
+: 3.011111111111111
+? !!python/tuple
+- N
+- Pb
+: 2.6463414634146343
+? !!python/tuple
+- N
+- Pd
+: 2.560975609756097
+? !!python/tuple
+- N
+- Pm
+: 2.842105263157895
+? !!python/tuple
+- N
+- Po
+: 2.573170731707317
+? !!python/tuple
+- N
+- Pr
+: 2.8842105263157896
+? !!python/tuple
+- N
+- Pt
+: 2.5243902439024395
+? !!python/tuple
+- N
+- Pu
+: 2.8666666666666667
+? !!python/tuple
+- N
+- Ra
+: 3.5609756097560976
+? !!python/tuple
+- N
+- Rb
+: 3.5487804878048785
+? !!python/tuple
+- N
+- Re
+: 2.7073170731707314
+? !!python/tuple
+- N
+- Rh
+: 2.597560975609756
+? !!python/tuple
+- N
+- Rn
+: 2.4555555555555553
+? !!python/tuple
+- N
+- Ru
+: 2.6463414634146343
+? !!python/tuple
+- N
+- S
+: 1.9555555555555555
+? !!python/tuple
+- N
+- Sb
+: 2.560975609756097
+? !!python/tuple
+- N
+- Sc
+: 2.939024390243903
+? !!python/tuple
+- N
+- Se
+: 2.1222222222222222
+? !!python/tuple
+- N
+- Si
+: 2.2195121951219514
+? !!python/tuple
+- N
+- Sm
+: 2.831578947368421
+? !!python/tuple
+- N
+- Sn
+: 2.560975609756097
+? !!python/tuple
+- N
+- Sr
+: 3.2439024390243905
+? !!python/tuple
+- N
+- Ta
+: 2.939024390243903
+? !!python/tuple
+- N
+- Tb
+: 2.7894736842105265
+? !!python/tuple
+- N
+- Tc
+: 2.6585365853658534
+? !!python/tuple
+- N
+- Te
+: 2.548780487804878
+? !!python/tuple
+- N
+- Th
+: 3.0777777777777775
+? !!python/tuple
+- N
+- Ti
+: 2.8170731707317076
+? !!python/tuple
+- N
+- Tl
+: 2.6341463414634148
+? !!python/tuple
+- N
+- Tm
+: 2.7473684210526317
+? !!python/tuple
+- N
+- U
+: 2.9666666666666663
+? !!python/tuple
+- N
+- V
+: 2.731707317073171
+? !!python/tuple
+- N
+- W
+: 2.8414634146341466
+? !!python/tuple
+- N
+- Xe
+: 2.344444444444444
+? !!python/tuple
+- N
+- Y
+: 3.182926829268293
+? !!python/tuple
+- N
+- Yb
+: 2.7157894736842105
+? !!python/tuple
+- N
+- Zn
+: 2.3536585365853657
+? !!python/tuple
+- N
+- Zr
+: 2.6951219512195124
+? !!python/tuple
+- Na
+- Ac
+: 4.2333333333333325
+? !!python/tuple
+- Na
+- Ag
+: 3.4555555555555553
+? !!python/tuple
+- Na
+- Al
+: 3.188888888888889
+? !!python/tuple
+- Na
+- Am
+: 3.844444444444444
+? !!python/tuple
+- Na
+- Ar
+: 3.0222222222222217
+? !!python/tuple
+- Na
+- As
+: 3.166666666666666
+? !!python/tuple
+- Na
+- At
+: 3.511111111111111
+? !!python/tuple
+- Na
+- Au
+: 3.3555555555555556
+? !!python/tuple
+- Na
+- Ba
+: 4.2333333333333325
+? !!python/tuple
+- Na
+- Bi
+: 3.4888888888888885
+? !!python/tuple
+- Na
+- Br
+: 3.1777777777777776
+? !!python/tuple
+- Na
+- Ca
+: 3.8
+? !!python/tuple
+- Na
+- Cd
+: 3.4444444444444438
+? !!python/tuple
+- Na
+- Ce
+: 3.8947368421052637
+? !!python/tuple
+- Na
+- Cl
+: 2.9777777777777774
+? !!python/tuple
+- Na
+- Cm
+: 3.722222222222222
+? !!python/tuple
+- Na
+- Co
+: 3.511111111111111
+? !!python/tuple
+- Na
+- Cr
+: 3.3888888888888884
+? !!python/tuple
+- Na
+- Cs
+: 4.555555555555555
+? !!python/tuple
+- Na
+- Cu
+: 3.311111111111111
+? !!python/tuple
+- Na
+- Dy
+: 3.768421052631579
+? !!python/tuple
+- Na
+- Er
+: 3.736842105263158
+? !!python/tuple
+- Na
+- Eu
+: 3.831578947368421
+? !!python/tuple
+- Na
+- Fe
+: 3.5333333333333328
+? !!python/tuple
+- Na
+- Fr
+: 4.733333333333333
+? !!python/tuple
+- Na
+- Ga
+: 3.1999999999999997
+? !!python/tuple
+- Na
+- Gd
+: 3.810526315789474
+? !!python/tuple
+- Na
+- Ge
+: 3.1777777777777776
+? !!python/tuple
+- Na
+- Hf
+: 3.7888888888888888
+? !!python/tuple
+- Na
+- Hg
+: 3.311111111111111
+? !!python/tuple
+- Na
+- Ho
+: 3.768421052631579
+? !!python/tuple
+- Na
+- I
+: 3.3888888888888884
+? !!python/tuple
+- Na
+- In
+: 3.422222222222222
+? !!python/tuple
+- Na
+- Ir
+: 3.411111111111111
+? !!python/tuple
+- Na
+- K
+: 3.884210526315789
+? !!python/tuple
+- Na
+- Kr
+: 3.133333333333333
+? !!python/tuple
+- Na
+- La
+: 3.926315789473684
+? !!python/tuple
+- Na
+- Lu
+: 3.715789473684211
+? !!python/tuple
+- Na
+- Mg
+: 3.411111111111111
+? !!python/tuple
+- Na
+- Mn
+: 3.6333333333333333
+? !!python/tuple
+- Na
+- Mo
+: 3.555555555555556
+? !!python/tuple
+- Na
+- Na
+: 3.6888888888888887
+? !!python/tuple
+- Na
+- Nb
+: 3.6666666666666665
+? !!python/tuple
+- Na
+- Nd
+: 3.863157894736842
+? !!python/tuple
+- Na
+- Ni
+: 3.222222222222222
+? !!python/tuple
+- Na
+- Np
+: 3.955555555555555
+? !!python/tuple
+- Na
+- Os
+: 3.4444444444444438
+? !!python/tuple
+- Na
+- P
+: 3.033333333333333
+? !!python/tuple
+- Na
+- Pa
+: 4.066666666666666
+? !!python/tuple
+- Na
+- Pb
+: 3.466666666666667
+? !!python/tuple
+- Na
+- Pd
+: 3.3888888888888884
+? !!python/tuple
+- Na
+- Pm
+: 3.8421052631578947
+? !!python/tuple
+- Na
+- Po
+: 3.3999999999999995
+? !!python/tuple
+- Na
+- Pr
+: 3.884210526315789
+? !!python/tuple
+- Na
+- Pt
+: 3.3555555555555556
+? !!python/tuple
+- Na
+- Pu
+: 3.9222222222222225
+? !!python/tuple
+- Na
+- Ra
+: 4.3
+? !!python/tuple
+- Na
+- Rb
+: 4.288888888888889
+? !!python/tuple
+- Na
+- Re
+: 3.522222222222222
+? !!python/tuple
+- Na
+- Rh
+: 3.422222222222222
+? !!python/tuple
+- Na
+- Rn
+: 3.511111111111111
+? !!python/tuple
+- Na
+- Ru
+: 3.466666666666667
+? !!python/tuple
+- Na
+- S
+: 3.011111111111111
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+- Na
+- Sb
+: 3.3888888888888884
+? !!python/tuple
+- Na
+- Sc
+: 3.733333333333333
+? !!python/tuple
+- Na
+- Se
+: 3.1777777777777776
+? !!python/tuple
+- Na
+- Si
+: 3.0777777777777775
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+- Na
+- Sm
+: 3.831578947368421
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+- Na
+- Sn
+: 3.3888888888888884
+? !!python/tuple
+- Na
+- Sr
+: 4.011111111111111
+? !!python/tuple
+- Na
+- Ta
+: 3.733333333333333
+? !!python/tuple
+- Na
+- Tb
+: 3.789473684210526
+? !!python/tuple
+- Na
+- Tc
+: 3.4777777777777774
+? !!python/tuple
+- Na
+- Te
+: 3.3777777777777778
+? !!python/tuple
+- Na
+- Th
+: 4.133333333333333
+? !!python/tuple
+- Na
+- Ti
+: 3.622222222222222
+? !!python/tuple
+- Na
+- Tl
+: 3.4555555555555553
+? !!python/tuple
+- Na
+- Tm
+: 3.7473684210526312
+? !!python/tuple
+- Na
+- U
+: 4.022222222222222
+? !!python/tuple
+- Na
+- V
+: 3.5444444444444443
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+- Na
+- W
+: 3.644444444444445
+? !!python/tuple
+- Na
+- Xe
+: 3.3999999999999995
+? !!python/tuple
+- Na
+- Y
+: 3.955555555555555
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+- Na
+- Yb
+: 3.715789473684211
+? !!python/tuple
+- Na
+- Zn
+: 3.1999999999999997
+? !!python/tuple
+- Na
+- Zr
+: 3.511111111111111
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+- Nb
+- Ac
+: 4.211111111111111
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+- Nb
+- Ag
+: 3.433333333333333
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+- Nb
+- Am
+: 3.822222222222222
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+- Nb
+- At
+: 3.4888888888888885
+? !!python/tuple
+- Nb
+- Au
+: 3.333333333333333
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+- Nb
+- Ba
+: 4.211111111111111
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+- Nb
+- Bi
+: 3.466666666666667
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+- Nb
+- Cd
+: 3.422222222222222
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+- Nb
+- Ce
+: 3.873684210526316
+? !!python/tuple
+- Nb
+- Cm
+: 3.7
+? !!python/tuple
+- Nb
+- Cs
+: 4.533333333333333
+? !!python/tuple
+- Nb
+- Dy
+: 3.7473684210526312
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+- Nb
+- Er
+: 3.7157894736842105
+? !!python/tuple
+- Nb
+- Eu
+: 3.810526315789474
+? !!python/tuple
+- Nb
+- Fr
+: 4.711111111111111
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+- Nb
+- Gd
+: 3.789473684210526
+? !!python/tuple
+- Nb
+- Hf
+: 3.766666666666666
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+- Nb
+- Hg
+: 3.2888888888888888
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+- Nb
+- Ho
+: 3.7473684210526312
+? !!python/tuple
+- Nb
+- I
+: 3.3666666666666663
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+- Nb
+- In
+: 3.3999999999999995
+? !!python/tuple
+- Nb
+- Ir
+: 3.3888888888888884
+? !!python/tuple
+- Nb
+- La
+: 3.905263157894737
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+- Nb
+- Lu
+: 3.694736842105263
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+- Nb
+- Mo
+: 3.5333333333333328
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+- Nb
+- Nb
+: 3.644444444444444
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+- Nb
+- Nd
+: 3.8421052631578942
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+- Nb
+- Np
+: 3.933333333333333
+? !!python/tuple
+- Nb
+- Os
+: 3.422222222222222
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+- Nb
+- Pa
+: 4.044444444444444
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+- Nb
+- Pb
+: 3.4444444444444438
+? !!python/tuple
+- Nb
+- Pd
+: 3.3666666666666663
+? !!python/tuple
+- Nb
+- Pm
+: 3.8210526315789473
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+- Nb
+- Po
+: 3.3777777777777778
+? !!python/tuple
+- Nb
+- Pr
+: 3.863157894736842
+? !!python/tuple
+- Nb
+- Pt
+: 3.333333333333333
+? !!python/tuple
+- Nb
+- Pu
+: 3.8999999999999995
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+- Nb
+- Ra
+: 4.277777777777778
+? !!python/tuple
+- Nb
+- Re
+: 3.5
+? !!python/tuple
+- Nb
+- Rh
+: 3.3999999999999995
+? !!python/tuple
+- Nb
+- Rn
+: 3.4888888888888885
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+- Nb
+- Ru
+: 3.4444444444444438
+? !!python/tuple
+- Nb
+- Sb
+: 3.3666666666666663
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+- Nb
+- Sm
+: 3.810526315789474
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+- Nb
+- Sn
+: 3.3666666666666663
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+- Nb
+- Ta
+: 3.711111111111111
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+- Nb
+- Tb
+: 3.768421052631579
+? !!python/tuple
+- Nb
+- Tc
+: 3.4555555555555553
+? !!python/tuple
+- Nb
+- Te
+: 3.355555555555555
+? !!python/tuple
+- Nb
+- Th
+: 4.111111111111112
+? !!python/tuple
+- Nb
+- Tl
+: 3.433333333333333
+? !!python/tuple
+- Nb
+- Tm
+: 3.7263157894736842
+? !!python/tuple
+- Nb
+- U
+: 3.9999999999999996
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+- Nb
+- W
+: 3.622222222222222
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+- Nb
+- Xe
+: 3.3777777777777778
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+- Nb
+- Yb
+: 3.694736842105263
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+- Nd
+- Ac
+: 4.378947368421053
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+- Nd
+- Am
+: 4.010526315789473
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+- Nd
+- At
+: 3.694736842105263
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+- Nd
+- Au
+: 3.547368421052632
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+- Nd
+- Bi
+: 3.6736842105263157
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+- Nd
+- Cm
+: 3.8947368421052633
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+- Nd
+- Dy
+: 4.136842105263158
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+- Nd
+- Er
+: 4.105263157894736
+? !!python/tuple
+- Nd
+- Eu
+: 4.2
+? !!python/tuple
+- Nd
+- Fr
+: 4.852631578947368
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+- Nd
+- Gd
+: 4.178947368421053
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+- Nd
+- Hf
+: 3.957894736842105
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+- Nd
+- Hg
+: 3.505263157894737
+? !!python/tuple
+- Nd
+- Ho
+: 4.136842105263158
+? !!python/tuple
+- Nd
+- Ir
+: 3.6
+? !!python/tuple
+- Nd
+- Lu
+: 4.08421052631579
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+- Nd
+- Nd
+: 4.231578947368421
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+- Nd
+- Np
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+- Nd
+- Os
+: 3.631578947368421
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+- Nd
+- Pa
+: 4.221052631578948
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+- Nd
+- Pb
+: 3.6526315789473682
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+- Nd
+- Pm
+: 4.2105263157894735
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+- Nd
+- Po
+: 3.5894736842105264
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+- Nd
+- Pt
+: 3.547368421052632
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+- Nd
+- Pu
+: 4.08421052631579
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+- Nd
+- Ra
+: 4.442105263157894
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+- Nd
+- Re
+: 3.7052631578947364
+? !!python/tuple
+- Nd
+- Rn
+: 3.694736842105263
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+- Nd
+- Sm
+: 4.2
+? !!python/tuple
+- Nd
+- Ta
+: 3.905263157894737
+? !!python/tuple
+- Nd
+- Tb
+: 4.157894736842105
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+- Nd
+- Th
+: 4.28421052631579
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+- Nd
+- Tl
+: 3.642105263157895
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+- Nd
+- Tm
+: 4.11578947368421
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+- Nd
+- U
+: 4.178947368421053
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+- Nd
+- W
+: 3.8210526315789473
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+- Nd
+- Yb
+: 4.08421052631579
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+- Ne
+- Ac
+: 3.033333333333333
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+- Ne
+- Ag
+: 2.255555555555555
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+- Ne
+- Al
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+- Ne
+- Am
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+- Ne
+- Ar
+: 1.8222222222222224
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+- Ne
+- As
+: 1.9666666666666666
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+- Ne
+- At
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+- Ne
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+: 2.1555555555555554
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+- Ne
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+: 3.033333333333333
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+- Ne
+- Bi
+: 2.2888888888888888
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+- Ne
+- Br
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+- Ne
+- Ca
+: 2.5999999999999996
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+- Ne
+- Cd
+: 2.2444444444444445
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+- Ne
+- Ce
+: 2.7578947368421054
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+- Ne
+- Cl
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+- Ne
+- Cm
+: 2.522222222222222
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+- Ne
+- Co
+: 2.3111111111111113
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+- Ne
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+- Ne
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+: 3.3555555555555556
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+- Ne
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+- Ne
+- Dy
+: 2.6315789473684212
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+- Ne
+- Er
+: 2.5999999999999996
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+- Ne
+- Eu
+: 2.6947368421052635
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+- Ne
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+- Ne
+- Fr
+: 3.533333333333333
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+- Ne
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+- Ne
+- Gd
+: 2.673684210526316
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+- Ne
+- Ge
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+- Ne
+- Hf
+: 2.588888888888889
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+- Ne
+- Hg
+: 2.111111111111111
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+- Ne
+- Ho
+: 2.6315789473684212
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+- Ne
+- I
+: 2.1888888888888887
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+- Ne
+- In
+: 2.2222222222222223
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+- Ne
+- Ir
+: 2.211111111111111
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+- Ne
+- K
+: 2.7473684210526317
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+- Ne
+- Kr
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+- Ne
+- La
+: 2.7894736842105265
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+- Ne
+- Lu
+: 2.578947368421053
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+- Ne
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+- Ne
+- Mo
+: 2.3555555555555556
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+- Na
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+- Ne
+- Nb
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+- Ne
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+- Ne
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+- Ne
+- Np
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+- Ne
+- Os
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+- Ne
+- P
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+- Ne
+- Pa
+: 2.8666666666666667
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+- Ne
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+- Ne
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+- Ne
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+- Ne
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+- Ne
+- Pr
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+- Ne
+- Pt
+: 2.1555555555555554
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+- Ne
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+: 2.7222222222222223
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+- Ne
+- Ra
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+- Ne
+- Rb
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+- Ne
+- Re
+: 2.322222222222222
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+- Ne
+- Rh
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+- Ne
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+- Ne
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+- Ne
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+- Ne
+- Se
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+- Ne
+- Si
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+- Ne
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+- Ne
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+- Ne
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+: 2.533333333333333
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+- Tb
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+- Ne
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+- Ne
+- Th
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+- Ne
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+- Ne
+- Tl
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+- Ne
+- Tm
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+- Ne
+- U
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+- Ne
+- V
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+- W
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+- Ne
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+- Ne
+- Y
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+- Yb
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+- Ne
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+- Am
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+- Ni
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+- Ni
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+: 3.766666666666666
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+: 3.0222222222222217
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+- Ni
+- Cd
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+- Ni
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+- Ni
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+- Ni
+- Dy
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+- Ni
+- Er
+: 3.294736842105263
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+- Ni
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+: 3.389473684210526
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+- Ni
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+- Ni
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+- Ni
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+- Ni
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+- Ni
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+- I
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+- Ni
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+- Ni
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+- Ni
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+- Ni
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+- Ni
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+- Ni
+- Th
+: 3.6666666666666665
+? !!python/tuple
+- Ni
+- Tl
+: 2.988888888888889
+? !!python/tuple
+- Ni
+- Tm
+: 3.3052631578947365
+? !!python/tuple
+- Ni
+- U
+: 3.555555555555556
+? !!python/tuple
+- Ni
+- W
+: 3.177777777777778
+? !!python/tuple
+- Ni
+- Xe
+: 2.933333333333333
+? !!python/tuple
+- Ni
+- Y
+: 3.4888888888888885
+? !!python/tuple
+- Ni
+- Yb
+: 3.273684210526316
+? !!python/tuple
+- Ni
+- Zn
+: 2.7333333333333334
+? !!python/tuple
+- Ni
+- Zr
+: 3.0444444444444447
+? !!python/tuple
+- Np
+- Am
+: 4.111111111111112
+? !!python/tuple
+- Np
+- Cm
+: 3.9888888888888885
+? !!python/tuple
+- Np
+- Np
+: 4.222222222222222
+? !!python/tuple
+- Np
+- Pu
+: 4.188888888888889
+? !!python/tuple
+- O
+- Ac
+: 3.1222222222222222
+? !!python/tuple
+- O
+- Ag
+: 2.4823529411764707
+? !!python/tuple
+- O
+- Al
+: 2.2
+? !!python/tuple
+- O
+- Am
+: 2.7333333333333334
+? !!python/tuple
+- O
+- Ar
+: 1.9111111111111112
+? !!python/tuple
+- O
+- As
+: 2.1764705882352944
+? !!python/tuple
+- O
+- At
+: 2.5411764705882356
+? !!python/tuple
+- O
+- Au
+: 2.376470588235294
+? !!python/tuple
+- O
+- Ba
+: 3.3058823529411767
+? !!python/tuple
+- O
+- Bi
+: 2.51764705882353
+? !!python/tuple
+- O
+- Br
+: 2.0666666666666664
+? !!python/tuple
+- O
+- Ca
+: 2.847058823529412
+? !!python/tuple
+- O
+- Cd
+: 2.4705882352941178
+? !!python/tuple
+- O
+- Ce
+: 2.842105263157895
+? !!python/tuple
+- O
+- Cl
+: 1.8666666666666667
+? !!python/tuple
+- O
+- Cm
+: 2.611111111111111
+? !!python/tuple
+- O
+- Co
+: 2.5411764705882356
+? !!python/tuple
+- O
+- Cr
+: 2.411764705882353
+? !!python/tuple
+- O
+- Cs
+: 3.647058823529412
+? !!python/tuple
+- O
+- Cu
+: 2.3294117647058825
+? !!python/tuple
+- O
+- Dy
+: 2.7157894736842105
+? !!python/tuple
+- O
+- Er
+: 2.6842105263157894
+? !!python/tuple
+- O
+- Eu
+: 2.778947368421053
+? !!python/tuple
+- O
+- F
+: 1.3666666666666667
+? !!python/tuple
+- O
+- Fe
+: 2.5647058823529414
+? !!python/tuple
+- O
+- Fr
+: 3.8352941176470594
+? !!python/tuple
+- O
+- Ga
+: 2.211764705882353
+? !!python/tuple
+- O
+- Gd
+: 2.7578947368421054
+? !!python/tuple
+- O
+- Ge
+: 2.188235294117647
+? !!python/tuple
+- O
+- Hf
+: 2.835294117647059
+? !!python/tuple
+- O
+- Hg
+: 2.3294117647058825
+? !!python/tuple
+- O
+- Ho
+: 2.7157894736842105
+? !!python/tuple
+- O
+- I
+: 2.2777777777777777
+? !!python/tuple
+- O
+- In
+: 2.447058823529412
+? !!python/tuple
+- O
+- Ir
+: 2.4352941176470586
+? !!python/tuple
+- O
+- K
+: 2.831578947368421
+? !!python/tuple
+- O
+- Kr
+: 2.022222222222222
+? !!python/tuple
+- O
+- La
+: 2.873684210526316
+? !!python/tuple
+- O
+- Lu
+: 2.6631578947368424
+? !!python/tuple
+- O
+- Mg
+: 2.4352941176470586
+? !!python/tuple
+- O
+- Mn
+: 2.670588235294118
+? !!python/tuple
+- O
+- Mo
+: 2.588235294117647
+? !!python/tuple
+- O
+- Na
+: 2.7294117647058824
+? !!python/tuple
+- O
+- Nb
+: 2.705882352941176
+? !!python/tuple
+- O
+- Nd
+: 2.8105263157894735
+? !!python/tuple
+- O
+- Ne
+: 1.3777777777777778
+? !!python/tuple
+- O
+- Ni
+: 2.235294117647059
+? !!python/tuple
+- O
+- Np
+: 2.8444444444444446
+? !!python/tuple
+- O
+- O
+: 1.4666666666666668
+? !!python/tuple
+- O
+- Os
+: 2.4705882352941178
+? !!python/tuple
+- O
+- P
+: 1.922222222222222
+? !!python/tuple
+- O
+- Pa
+: 2.9555555555555557
+? !!python/tuple
+- O
+- Pb
+: 2.4941176470588236
+? !!python/tuple
+- O
+- Pd
+: 2.411764705882353
+? !!python/tuple
+- O
+- Pm
+: 2.7894736842105265
+? !!python/tuple
+- O
+- Po
+: 2.423529411764706
+? !!python/tuple
+- O
+- Pr
+: 2.831578947368421
+? !!python/tuple
+- O
+- Pt
+: 2.376470588235294
+? !!python/tuple
+- O
+- Pu
+: 2.8111111111111113
+? !!python/tuple
+- O
+- Ra
+: 3.376470588235294
+? !!python/tuple
+- O
+- Rb
+: 3.3647058823529417
+? !!python/tuple
+- O
+- Re
+: 2.552941176470588
+? !!python/tuple
+- O
+- Rh
+: 2.447058823529412
+? !!python/tuple
+- O
+- Rn
+: 2.4
+? !!python/tuple
+- O
+- Ru
+: 2.4941176470588236
+? !!python/tuple
+- O
+- S
+: 1.9
+? !!python/tuple
+- O
+- Sb
+: 2.411764705882353
+? !!python/tuple
+- O
+- Sc
+: 2.776470588235294
+? !!python/tuple
+- O
+- Se
+: 2.0666666666666664
+? !!python/tuple
+- O
+- Si
+: 2.0823529411764707
+? !!python/tuple
+- O
+- Sm
+: 2.778947368421053
+? !!python/tuple
+- O
+- Sn
+: 2.411764705882353
+? !!python/tuple
+- O
+- Sr
+: 3.0705882352941174
+? !!python/tuple
+- O
+- Ta
+: 2.776470588235294
+? !!python/tuple
+- O
+- Tb
+: 2.736842105263158
+? !!python/tuple
+- O
+- Tc
+: 2.5058823529411764
+? !!python/tuple
+- O
+- Te
+: 2.4
+? !!python/tuple
+- O
+- Th
+: 3.022222222222222
+? !!python/tuple
+- O
+- Ti
+: 2.658823529411765
+? !!python/tuple
+- O
+- Tl
+: 2.4823529411764707
+? !!python/tuple
+- O
+- Tm
+: 2.6947368421052635
+? !!python/tuple
+- O
+- U
+: 2.911111111111111
+? !!python/tuple
+- O
+- V
+: 2.5764705882352943
+? !!python/tuple
+- O
+- W
+: 2.682352941176471
+? !!python/tuple
+- O
+- Xe
+: 2.2888888888888888
+? !!python/tuple
+- O
+- Y
+: 3.011764705882353
+? !!python/tuple
+- O
+- Yb
+: 2.6631578947368424
+? !!python/tuple
+- O
+- Zn
+: 2.211764705882353
+? !!python/tuple
+- O
+- Zr
+: 2.5411764705882356
+? !!python/tuple
+- Os
+- Ac
+: 3.9888888888888885
+? !!python/tuple
+- Os
+- Am
+: 3.6
+? !!python/tuple
+- Os
+- At
+: 3.2666666666666666
+? !!python/tuple
+- Os
+- Au
+: 3.1111111111111107
+? !!python/tuple
+- Os
+- Bi
+: 3.2444444444444445
+? !!python/tuple
+- Os
+- Cm
+: 3.4777777777777774
+? !!python/tuple
+- Os
+- Fr
+: 4.488888888888889
+? !!python/tuple
+- Os
+- Hg
+: 3.0666666666666664
+? !!python/tuple
+- Os
+- Ir
+: 3.166666666666666
+? !!python/tuple
+- Os
+- Np
+: 3.711111111111111
+? !!python/tuple
+- Os
+- Os
+: 3.1999999999999997
+? !!python/tuple
+- Os
+- Pa
+: 3.822222222222222
+? !!python/tuple
+- Os
+- Pb
+: 3.222222222222222
+? !!python/tuple
+- Os
+- Po
+: 3.1555555555555554
+? !!python/tuple
+- Os
+- Pt
+: 3.1111111111111107
+? !!python/tuple
+- Os
+- Pu
+: 3.6777777777777776
+? !!python/tuple
+- Os
+- Ra
+: 4.055555555555555
+? !!python/tuple
+- Os
+- Rn
+: 3.2666666666666666
+? !!python/tuple
+- Os
+- Th
+: 3.888888888888889
+? !!python/tuple
+- Os
+- Tl
+: 3.211111111111111
+? !!python/tuple
+- Os
+- U
+: 3.7777777777777777
+? !!python/tuple
+- P
+- Ac
+: 3.5777777777777775
+? !!python/tuple
+- P
+- Ag
+: 2.8
+? !!python/tuple
+- P
+- Am
+: 3.188888888888889
+? !!python/tuple
+- P
+- Ar
+: 2.3666666666666667
+? !!python/tuple
+- P
+- As
+: 2.5111111111111106
+? !!python/tuple
+- P
+- At
+: 2.8555555555555556
+? !!python/tuple
+- P
+- Au
+: 2.7
+? !!python/tuple
+- P
+- Ba
+: 3.5777777777777775
+? !!python/tuple
+- P
+- Bi
+: 2.833333333333333
+? !!python/tuple
+- P
+- Br
+: 2.522222222222222
+? !!python/tuple
+- P
+- Ca
+: 3.1444444444444444
+? !!python/tuple
+- P
+- Cd
+: 2.7888888888888888
+? !!python/tuple
+- P
+- Ce
+: 3.273684210526316
+? !!python/tuple
+- P
+- Cl
+: 2.322222222222222
+? !!python/tuple
+- P
+- Cm
+: 3.0666666666666664
+? !!python/tuple
+- P
+- Co
+: 2.8555555555555556
+? !!python/tuple
+- P
+- Cr
+: 2.7333333333333334
+? !!python/tuple
+- P
+- Cs
+: 3.8999999999999995
+? !!python/tuple
+- P
+- Cu
+: 2.6555555555555554
+? !!python/tuple
+- P
+- Dy
+: 3.147368421052632
+? !!python/tuple
+- P
+- Er
+: 3.1157894736842104
+? !!python/tuple
+- P
+- Eu
+: 3.2105263157894735
+? !!python/tuple
+- P
+- Fe
+: 2.8777777777777778
+? !!python/tuple
+- P
+- Fr
+: 4.0777777777777775
+? !!python/tuple
+- P
+- Ga
+: 2.5444444444444443
+? !!python/tuple
+- P
+- Gd
+: 3.189473684210527
+? !!python/tuple
+- P
+- Ge
+: 2.522222222222222
+? !!python/tuple
+- P
+- Hf
+: 3.1333333333333337
+? !!python/tuple
+- P
+- Hg
+: 2.6555555555555554
+? !!python/tuple
+- P
+- Ho
+: 3.147368421052632
+? !!python/tuple
+- P
+- I
+: 2.7333333333333334
+? !!python/tuple
+- P
+- In
+: 2.766666666666667
+? !!python/tuple
+- P
+- Ir
+: 2.7555555555555555
+? !!python/tuple
+- P
+- K
+: 3.263157894736842
+? !!python/tuple
+- P
+- Kr
+: 2.477777777777778
+? !!python/tuple
+- P
+- La
+: 3.3052631578947365
+? !!python/tuple
+- P
+- Lu
+: 3.094736842105264
+? !!python/tuple
+- P
+- Mn
+: 2.977777777777778
+? !!python/tuple
+- P
+- Mo
+: 2.9000000000000004
+? !!python/tuple
+- P
+- Nb
+: 3.011111111111111
+? !!python/tuple
+- P
+- Nd
+: 3.242105263157895
+? !!python/tuple
+- P
+- Ni
+: 2.566666666666667
+? !!python/tuple
+- P
+- Np
+: 3.3
+? !!python/tuple
+- P
+- Os
+: 2.7888888888888888
+? !!python/tuple
+- P
+- P
+: 2.3777777777777778
+? !!python/tuple
+- P
+- Pa
+: 3.4111111111111114
+? !!python/tuple
+- P
+- Pb
+: 2.8111111111111113
+? !!python/tuple
+- P
+- Pd
+: 2.7333333333333334
+? !!python/tuple
+- P
+- Pm
+: 3.2210526315789476
+? !!python/tuple
+- P
+- Po
+: 2.744444444444444
+? !!python/tuple
+- P
+- Pr
+: 3.263157894736842
+? !!python/tuple
+- P
+- Pt
+: 2.7
+? !!python/tuple
+- P
+- Pu
+: 3.266666666666667
+? !!python/tuple
+- P
+- Ra
+: 3.644444444444445
+? !!python/tuple
+- P
+- Rb
+: 3.6333333333333337
+? !!python/tuple
+- P
+- Re
+: 2.8666666666666667
+? !!python/tuple
+- P
+- Rh
+: 2.766666666666667
+? !!python/tuple
+- P
+- Rn
+: 2.8555555555555556
+? !!python/tuple
+- P
+- Ru
+: 2.8111111111111113
+? !!python/tuple
+- P
+- S
+: 2.3555555555555556
+? !!python/tuple
+- P
+- Sb
+: 2.7333333333333334
+? !!python/tuple
+- P
+- Sc
+: 3.0777777777777775
+? !!python/tuple
+- P
+- Se
+: 2.522222222222222
+? !!python/tuple
+- P
+- Sm
+: 3.2105263157894735
+? !!python/tuple
+- P
+- Sn
+: 2.7333333333333334
+? !!python/tuple
+- P
+- Sr
+: 3.3555555555555556
+? !!python/tuple
+- P
+- Ta
+: 3.0777777777777775
+? !!python/tuple
+- P
+- Tb
+: 3.168421052631579
+? !!python/tuple
+- P
+- Tc
+: 2.8222222222222224
+? !!python/tuple
+- P
+- Te
+: 2.7222222222222223
+? !!python/tuple
+- P
+- Th
+: 3.4777777777777774
+? !!python/tuple
+- P
+- Ti
+: 2.9666666666666663
+? !!python/tuple
+- P
+- Tl
+: 2.8
+? !!python/tuple
+- P
+- Tm
+: 3.126315789473684
+? !!python/tuple
+- P
+- U
+: 3.3666666666666667
+? !!python/tuple
+- P
+- V
+: 2.888888888888889
+? !!python/tuple
+- P
+- W
+: 2.9888888888888894
+? !!python/tuple
+- P
+- Xe
+: 2.744444444444444
+? !!python/tuple
+- P
+- Y
+: 3.3
+? !!python/tuple
+- P
+- Yb
+: 3.094736842105264
+? !!python/tuple
+- P
+- Zn
+: 2.5444444444444443
+? !!python/tuple
+- P
+- Zr
+: 2.8555555555555556
+? !!python/tuple
+- Pa
+- Am
+: 4.222222222222222
+? !!python/tuple
+- Pa
+- Cm
+: 4.1
+? !!python/tuple
+- Pa
+- Np
+: 4.333333333333333
+? !!python/tuple
+- Pa
+- Pa
+: 4.444444444444445
+? !!python/tuple
+- Pa
+- Pu
+: 4.3
+? !!python/tuple
+- Pa
+- U
+: 4.3999999999999995
+? !!python/tuple
+- Pb
+- Ac
+: 4.011111111111111
+? !!python/tuple
+- Pb
+- Am
+: 3.622222222222222
+? !!python/tuple
+- Pb
+- At
+: 3.2888888888888888
+? !!python/tuple
+- Pb
+- Bi
+: 3.2666666666666666
+? !!python/tuple
+- Pb
+- Cm
+: 3.5
+? !!python/tuple
+- Pb
+- Fr
+: 4.511111111111112
+? !!python/tuple
+- Pb
+- Np
+: 3.733333333333333
+? !!python/tuple
+- Pb
+- Pa
+: 3.844444444444444
+? !!python/tuple
+- Pb
+- Pb
+: 3.2444444444444445
+? !!python/tuple
+- Pb
+- Po
+: 3.1777777777777776
+? !!python/tuple
+- Pb
+- Pu
+: 3.7
+? !!python/tuple
+- Pb
+- Ra
+: 4.0777777777777775
+? !!python/tuple
+- Pb
+- Rn
+: 3.2888888888888888
+? !!python/tuple
+- Pb
+- Th
+: 3.911111111111111
+? !!python/tuple
+- Pb
+- U
+: 3.8
+? !!python/tuple
+- Pd
+- Ac
+: 3.933333333333333
+? !!python/tuple
+- Pd
+- Ag
+: 3.1555555555555554
+? !!python/tuple
+- Pd
+- Am
+: 3.5444444444444443
+? !!python/tuple
+- Pd
+- At
+: 3.211111111111111
+? !!python/tuple
+- Pd
+- Au
+: 3.0555555555555554
+? !!python/tuple
+- Pd
+- Ba
+: 3.933333333333333
+? !!python/tuple
+- Pd
+- Bi
+: 3.188888888888889
+? !!python/tuple
+- Pd
+- Cd
+: 3.1444444444444444
+? !!python/tuple
+- Pd
+- Ce
+: 3.6105263157894734
+? !!python/tuple
+- Pd
+- Cm
+: 3.422222222222222
+? !!python/tuple
+- Pd
+- Cs
+: 4.2555555555555555
+? !!python/tuple
+- Pd
+- Dy
+: 3.484210526315789
+? !!python/tuple
+- Pd
+- Er
+: 3.4526315789473685
+? !!python/tuple
+- Pd
+- Eu
+: 3.547368421052632
+? !!python/tuple
+- Pd
+- Fr
+: 4.433333333333334
+? !!python/tuple
+- Pd
+- Gd
+: 3.526315789473684
+? !!python/tuple
+- Pd
+- Hf
+: 3.4888888888888885
+? !!python/tuple
+- Pd
+- Hg
+: 3.011111111111111
+? !!python/tuple
+- Pd
+- Ho
+: 3.484210526315789
+? !!python/tuple
+- Pd
+- I
+: 3.0888888888888886
+? !!python/tuple
+- Pd
+- In
+: 3.122222222222222
+? !!python/tuple
+- Pd
+- Ir
+: 3.1111111111111107
+? !!python/tuple
+- Pd
+- La
+: 3.642105263157895
+? !!python/tuple
+- Pd
+- Lu
+: 3.431578947368421
+? !!python/tuple
+- Pd
+- Nd
+: 3.578947368421052
+? !!python/tuple
+- Pd
+- Np
+: 3.6555555555555554
+? !!python/tuple
+- Pd
+- Os
+: 3.1444444444444444
+? !!python/tuple
+- Pd
+- Pa
+: 3.766666666666666
+? !!python/tuple
+- Pd
+- Pb
+: 3.166666666666666
+? !!python/tuple
+- Pd
+- Pd
+: 3.0888888888888886
+? !!python/tuple
+- Pd
+- Pm
+: 3.557894736842105
+? !!python/tuple
+- Pd
+- Po
+: 3.1
+? !!python/tuple
+- Pd
+- Pr
+: 3.6
+? !!python/tuple
+- Pd
+- Pt
+: 3.0555555555555554
+? !!python/tuple
+- Pd
+- Pu
+: 3.622222222222222
+? !!python/tuple
+- Pd
+- Ra
+: 3.9999999999999996
+? !!python/tuple
+- Pd
+- Re
+: 3.222222222222222
+? !!python/tuple
+- Pd
+- Rn
+: 3.211111111111111
+? !!python/tuple
+- Pd
+- Sb
+: 3.0888888888888886
+? !!python/tuple
+- Pd
+- Sm
+: 3.547368421052632
+? !!python/tuple
+- Pd
+- Sn
+: 3.0888888888888886
+? !!python/tuple
+- Pd
+- Ta
+: 3.433333333333333
+? !!python/tuple
+- Pd
+- Tb
+: 3.505263157894737
+? !!python/tuple
+- Pd
+- Te
+: 3.077777777777777
+? !!python/tuple
+- Pd
+- Th
+: 3.8333333333333335
+? !!python/tuple
+- Pd
+- Tl
+: 3.1555555555555554
+? !!python/tuple
+- Pd
+- Tm
+: 3.463157894736842
+? !!python/tuple
+- Pd
+- U
+: 3.722222222222222
+? !!python/tuple
+- Pd
+- W
+: 3.344444444444444
+? !!python/tuple
+- Pd
+- Xe
+: 3.1
+? !!python/tuple
+- Pd
+- Yb
+: 3.431578947368421
+? !!python/tuple
+- Pm
+- Ac
+: 4.3578947368421055
+? !!python/tuple
+- Pm
+- Am
+: 3.9894736842105267
+? !!python/tuple
+- Pm
+- At
+: 3.673684210526316
+? !!python/tuple
+- Pm
+- Au
+: 3.5263157894736845
+? !!python/tuple
+- Pm
+- Bi
+: 3.6526315789473682
+? !!python/tuple
+- Pm
+- Cm
+: 3.873684210526316
+? !!python/tuple
+- Pm
+- Dy
+: 4.11578947368421
+? !!python/tuple
+- Pm
+- Er
+: 4.08421052631579
+? !!python/tuple
+- Pm
+- Eu
+: 4.178947368421053
+? !!python/tuple
+- Pm
+- Fr
+: 4.831578947368421
+? !!python/tuple
+- Pm
+- Gd
+: 4.157894736842105
+? !!python/tuple
+- Pm
+- Hf
+: 3.936842105263158
+? !!python/tuple
+- Pm
+- Hg
+: 3.4842105263157896
+? !!python/tuple
+- Pm
+- Ho
+: 4.11578947368421
+? !!python/tuple
+- Pm
+- Ir
+: 3.5789473684210527
+? !!python/tuple
+- Pm
+- Lu
+: 4.063157894736842
+? !!python/tuple
+- Pm
+- Np
+: 4.094736842105263
+? !!python/tuple
+- Pm
+- Os
+: 3.6105263157894734
+? !!python/tuple
+- Pm
+- Pa
+: 4.2
+? !!python/tuple
+- Pm
+- Pb
+: 3.6315789473684212
+? !!python/tuple
+- Pm
+- Pm
+: 4.189473684210527
+? !!python/tuple
+- Pm
+- Po
+: 3.568421052631579
+? !!python/tuple
+- Pm
+- Pt
+: 3.5263157894736845
+? !!python/tuple
+- Pm
+- Pu
+: 4.063157894736842
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+- Pm
+- Ra
+: 4.421052631578948
+? !!python/tuple
+- Pm
+- Re
+: 3.68421052631579
+? !!python/tuple
+- Pm
+- Rn
+: 3.673684210526316
+? !!python/tuple
+- Pm
+- Sm
+: 4.178947368421053
+? !!python/tuple
+- Pm
+- Ta
+: 3.8842105263157896
+? !!python/tuple
+- Pm
+- Tb
+: 4.136842105263158
+? !!python/tuple
+- Pm
+- Th
+: 4.2631578947368425
+? !!python/tuple
+- Pm
+- Tl
+: 3.6210526315789475
+? !!python/tuple
+- Pm
+- Tm
+: 4.094736842105263
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+- Pm
+- U
+: 4.157894736842105
+? !!python/tuple
+- Pm
+- W
+: 3.8000000000000007
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+- Pm
+- Yb
+: 4.063157894736842
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+- Po
+- Ac
+: 3.944444444444444
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+- Po
+- Am
+: 3.555555555555556
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+- Po
+- At
+: 3.222222222222222
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+- Po
+- Cm
+: 3.433333333333333
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+- Po
+- Fr
+: 4.444444444444445
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+- Po
+- Np
+: 3.6666666666666665
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+- Po
+- Pa
+: 3.7777777777777777
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+- Po
+- Po
+: 3.1111111111111107
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+- Po
+- Pu
+: 3.6333333333333333
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+- Po
+- Ra
+: 4.011111111111111
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+- Po
+- Rn
+: 3.222222222222222
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+- Po
+- Th
+: 3.844444444444444
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+- Po
+- U
+: 3.733333333333333
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+- Pr
+- Ac
+: 4.3999999999999995
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+- Pr
+- Am
+: 4.031578947368422
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+- Pr
+- At
+: 3.7157894736842105
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+- Pr
+- Au
+: 3.568421052631579
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+- Pr
+- Bi
+: 3.694736842105263
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+- Pr
+- Cm
+: 3.9157894736842103
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+- Pr
+- Dy
+: 4.157894736842105
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+- Pr
+- Er
+: 4.126315789473685
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+- Pr
+- Eu
+: 4.221052631578948
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+- Pr
+- Fr
+: 4.873684210526316
+? !!python/tuple
+- Pr
+- Gd
+: 4.2
+? !!python/tuple
+- Pr
+- Hf
+: 3.9789473684210526
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+- Pr
+- Hg
+: 3.526315789473684
+? !!python/tuple
+- Pr
+- Ho
+: 4.157894736842105
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+- Pr
+- Ir
+: 3.621052631578947
+? !!python/tuple
+- Pr
+- Lu
+: 4.105263157894737
+? !!python/tuple
+- Pr
+- Nd
+: 4.252631578947367
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+- Pr
+- Np
+: 4.136842105263158
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+- Pr
+- Os
+: 3.6526315789473682
+? !!python/tuple
+- Pr
+- Pa
+: 4.242105263157894
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+- Pr
+- Pb
+: 3.6736842105263157
+? !!python/tuple
+- Pr
+- Pm
+: 4.231578947368421
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+- Pr
+- Po
+: 3.6105263157894734
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+- Pr
+- Pr
+: 4.273684210526316
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+- Pr
+- Pt
+: 3.568421052631579
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+- Pr
+- Pu
+: 4.105263157894737
+? !!python/tuple
+- Pr
+- Ra
+: 4.463157894736843
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+- Pr
+- Re
+: 3.7263157894736842
+? !!python/tuple
+- Pr
+- Rn
+: 3.7157894736842105
+? !!python/tuple
+- Pr
+- Sm
+: 4.221052631578948
+? !!python/tuple
+- Pr
+- Ta
+: 3.926315789473684
+? !!python/tuple
+- Pr
+- Tb
+: 4.178947368421053
+? !!python/tuple
+- Pr
+- Th
+: 4.3052631578947365
+? !!python/tuple
+- Pr
+- Tl
+: 3.663157894736842
+? !!python/tuple
+- Pr
+- Tm
+: 4.136842105263158
+? !!python/tuple
+- Pr
+- U
+: 4.2
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+- Pr
+- W
+: 3.8421052631578947
+? !!python/tuple
+- Pr
+- Yb
+: 4.105263157894737
+? !!python/tuple
+- Pt
+- Ac
+: 3.8999999999999995
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+- Pt
+- Am
+: 3.511111111111111
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+- Pt
+- At
+: 3.177777777777778
+? !!python/tuple
+- Pt
+- Au
+: 3.022222222222222
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+- Pt
+- Bi
+: 3.1555555555555554
+? !!python/tuple
+- Pt
+- Cm
+: 3.3888888888888884
+? !!python/tuple
+- Pt
+- Fr
+: 4.3999999999999995
+? !!python/tuple
+- Pt
+- Hg
+: 2.977777777777778
+? !!python/tuple
+- Pt
+- Np
+: 3.622222222222222
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+- Pt
+- Pa
+: 3.7333333333333334
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+- Pt
+- Pb
+: 3.1333333333333337
+? !!python/tuple
+- Pt
+- Po
+: 3.0666666666666664
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+- Pt
+- Pt
+: 3.022222222222222
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+- Pt
+- Pu
+: 3.5888888888888895
+? !!python/tuple
+- Pt
+- Ra
+: 3.966666666666667
+? !!python/tuple
+- Pt
+- Rn
+: 3.177777777777778
+? !!python/tuple
+- Pt
+- Th
+: 3.8
+? !!python/tuple
+- Pt
+- Tl
+: 3.1222222222222222
+? !!python/tuple
+- Pt
+- U
+: 3.688888888888889
+? !!python/tuple
+- Pu
+- Am
+: 4.0777777777777775
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+- Pu
+- Cm
+: 3.9555555555555557
+? !!python/tuple
+- Pu
+- Pu
+: 4.155555555555556
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+- Ra
+- Ac
+: 4.844444444444444
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+- Ra
+- Am
+: 4.455555555555555
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+- Ra
+- Cm
+: 4.333333333333333
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+- Ra
+- Np
+: 4.5666666666666655
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+- Ra
+- Pa
+: 4.677777777777778
+? !!python/tuple
+- Ra
+- Pu
+: 4.533333333333333
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+- Ra
+- Ra
+: 4.9111111111111105
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+- Ra
+- Th
+: 4.744444444444444
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+- Ra
+- U
+: 4.633333333333333
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+- Rb
+- Ac
+: 4.833333333333333
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+- Rb
+- Ag
+: 4.055555555555556
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+- Rb
+- Am
+: 4.444444444444445
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+- Rb
+- At
+: 4.111111111111112
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+- Rb
+- Au
+: 3.955555555555556
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+- Rb
+- Ba
+: 4.833333333333333
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+- Rb
+- Bi
+: 4.088888888888889
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+- Rb
+- Cd
+: 4.044444444444444
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+- Rb
+- Ce
+: 4.463157894736843
+? !!python/tuple
+- Rb
+- Cm
+: 4.322222222222222
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+- Rb
+- Cs
+: 5.155555555555556
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+- Rb
+- Dy
+: 4.336842105263158
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+- Rb
+- Er
+: 4.3052631578947365
+? !!python/tuple
+- Rb
+- Eu
+: 4.3999999999999995
+? !!python/tuple
+- Rb
+- Fr
+: 5.333333333333334
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+- Rb
+- Gd
+: 4.378947368421053
+? !!python/tuple
+- Rb
+- Hf
+: 4.388888888888889
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+- Rb
+- Hg
+: 3.9111111111111114
+? !!python/tuple
+- Rb
+- Ho
+: 4.336842105263158
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+- Rb
+- I
+: 3.9888888888888885
+? !!python/tuple
+- Rb
+- In
+: 4.022222222222222
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+- Rb
+- Ir
+: 4.011111111111111
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+- Rb
+- La
+: 4.4947368421052625
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+- Rb
+- Lu
+: 4.28421052631579
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+- Rb
+- Mo
+: 4.155555555555556
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+- Rb
+- Nb
+: 4.266666666666667
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+- Rb
+- Nd
+: 4.431578947368421
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+- Rb
+- Np
+: 4.555555555555555
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+- Rb
+- Os
+: 4.044444444444444
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+- Rb
+- Pa
+: 4.666666666666667
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+- Rb
+- Pb
+: 4.066666666666666
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+- Rb
+- Pd
+: 3.9888888888888885
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+- Rb
+- Pm
+: 4.4105263157894745
+? !!python/tuple
+- Rb
+- Po
+: 4.0
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+- Rb
+- Pr
+: 4.452631578947369
+? !!python/tuple
+- Rb
+- Pt
+: 3.955555555555556
+? !!python/tuple
+- Rb
+- Pu
+: 4.522222222222222
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+- Rb
+- Ra
+: 4.9
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+- Rb
+- Rb
+: 4.888888888888889
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+- Rb
+- Re
+: 4.122222222222222
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+- Rb
+- Rh
+: 4.022222222222222
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+- Rb
+- Rn
+: 4.111111111111112
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+- Rb
+- Ru
+: 4.066666666666666
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+- Rb
+- Sb
+: 3.9888888888888885
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+- Rb
+- Sm
+: 4.3999999999999995
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+- Rb
+- Sn
+: 3.9888888888888885
+? !!python/tuple
+- Rb
+- Sr
+: 4.611111111111112
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+- Rb
+- Ta
+: 4.333333333333334
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+- Rb
+- Tb
+: 4.357894736842106
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+- Rb
+- Tc
+: 4.0777777777777775
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+- Rb
+- Te
+: 3.977777777777778
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+- Rb
+- Th
+: 4.733333333333333
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+- Rb
+- Tl
+: 4.055555555555556
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+- Rb
+- Tm
+: 4.315789473684211
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+- Rb
+- U
+: 4.622222222222223
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+- Rb
+- W
+: 4.2444444444444445
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+- Rb
+- Xe
+: 4.0
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+- Rb
+- Y
+: 4.555555555555555
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+- Rb
+- Yb
+: 4.28421052631579
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+- Rb
+- Zr
+: 4.111111111111112
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+- Re
+- Ac
+: 4.066666666666666
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+- Re
+- Am
+: 3.6777777777777776
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+- Re
+- At
+: 3.344444444444444
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+- Re
+- Au
+: 3.188888888888889
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+- Re
+- Bi
+: 3.3222222222222224
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+- Re
+- Cm
+: 3.555555555555556
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+- Re
+- Fr
+: 4.566666666666667
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+- Re
+- Hg
+: 3.1444444444444444
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+- Re
+- Ir
+: 3.2444444444444445
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+- Re
+- Np
+: 3.7888888888888888
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+- Re
+- Os
+: 3.2777777777777777
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+- Re
+- Pa
+: 3.8999999999999995
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+- Re
+- Pb
+: 3.3
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+- Re
+- Po
+: 3.2333333333333334
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+- Re
+- Pt
+: 3.188888888888889
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+- Re
+- Pu
+: 3.7555555555555555
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+- Re
+- Ra
+: 4.133333333333333
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+- Re
+- Re
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+- Re
+- Rn
+: 3.344444444444444
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+- Re
+- Th
+: 3.966666666666667
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+- Re
+- Tl
+: 3.2888888888888888
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+- Re
+- U
+: 3.855555555555555
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+- Rh
+- Ac
+: 3.9666666666666663
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+- Rh
+- Ag
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+- Rh
+- Am
+: 3.5777777777777775
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+- Rh
+- At
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+- Rh
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+- Rh
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+: 3.9666666666666663
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+- Rh
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+- Rh
+- Cd
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+- Rh
+- Ce
+: 3.642105263157895
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+- Rh
+- Cm
+: 3.4555555555555553
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+- Rh
+- Cs
+: 4.288888888888889
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+- Rh
+- Dy
+: 3.5157894736842104
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+- Rh
+- Er
+: 3.484210526315789
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+- Rh
+- Eu
+: 3.5789473684210527
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+- Rh
+- Fr
+: 4.466666666666666
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+- Rh
+- Gd
+: 3.557894736842105
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+- Rh
+- Hf
+: 3.522222222222222
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+- Rh
+- Hg
+: 3.0444444444444447
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+- Rh
+- Ho
+: 3.5157894736842104
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+- Rh
+- I
+: 3.122222222222222
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+- Rh
+- In
+: 3.1555555555555554
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+- Rh
+- Ir
+: 3.1444444444444444
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+- Rh
+- La
+: 3.6736842105263157
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+- Rh
+- Lu
+: 3.463157894736842
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+- Rh
+- Nd
+: 3.6105263157894734
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+- Rh
+- Np
+: 3.6888888888888887
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+- Rh
+- Os
+: 3.1777777777777776
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+- Rh
+- Pa
+: 3.8
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+- Rh
+- Pb
+: 3.1999999999999997
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+- Rh
+- Pd
+: 3.122222222222222
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+- Rh
+- Pm
+: 3.589473684210527
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+- Rh
+- Po
+: 3.133333333333333
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+- Rh
+- Pr
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+- Rh
+- Pt
+: 3.088888888888889
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+- Rh
+- Pu
+: 3.6555555555555554
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+- Rh
+- Ra
+: 4.033333333333333
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+- Rh
+- Re
+: 3.255555555555555
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+- Rh
+- Rh
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+- Rh
+- Rn
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+- Rh
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+- Rh
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+- Rh
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+: 3.122222222222222
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+- Rh
+- Ta
+: 3.466666666666667
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+- Rh
+- Tb
+: 3.536842105263158
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+- Rh
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+- Rh
+- Th
+: 3.8666666666666667
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+- Rh
+- Tl
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+- Rh
+- Tm
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+- Rh
+- U
+: 3.7555555555555555
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+- Rh
+- W
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+- Rh
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+: 3.133333333333333
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+- Rh
+- Yb
+: 3.463157894736842
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+- Rn
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+: 4.055555555555555
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+- Rn
+- Am
+: 3.6666666666666665
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+- Rn
+- Cm
+: 3.5444444444444443
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+- Rn
+- Fr
+: 4.555555555555555
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+- Rn
+- Np
+: 3.7777777777777777
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+- Rn
+- Pa
+: 3.888888888888889
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+- Rn
+- Pu
+: 3.7444444444444445
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+- Rn
+- Ra
+: 4.122222222222222
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+- Rn
+- Rn
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+- Rn
+- Th
+: 3.9555555555555557
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+- Rn
+- U
+: 3.844444444444444
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+- Ru
+- Ac
+: 4.011111111111111
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+- Ru
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+: 3.2333333333333334
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+- Ru
+- Am
+: 3.622222222222222
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+- Ru
+- At
+: 3.2888888888888888
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+- Ru
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+: 3.1333333333333337
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+- Ru
+- Ba
+: 4.011111111111111
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+- Ru
+- Bi
+: 3.2666666666666666
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+- Ru
+- Cd
+: 3.222222222222222
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+- Ru
+- Ce
+: 3.68421052631579
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+- Ru
+- Cm
+: 3.5
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+- Ru
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+: 4.333333333333333
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+- Ru
+- Dy
+: 3.557894736842105
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+- Ru
+- Er
+: 3.526315789473684
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+- Ru
+- Eu
+: 3.6210526315789475
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+- Ru
+- Fr
+: 4.511111111111112
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+- Ru
+- Gd
+: 3.6
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+- Ru
+- Hf
+: 3.5666666666666664
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+- Ru
+- Hg
+: 3.088888888888889
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+- Ru
+- Ho
+: 3.557894736842105
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+- Ru
+- I
+: 3.166666666666666
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+- Ru
+- In
+: 3.1999999999999997
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+- Ru
+- Ir
+: 3.188888888888889
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+- Ru
+- La
+: 3.7157894736842105
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+- Ru
+- Lu
+: 3.505263157894737
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+- Ru
+- Nd
+: 3.6526315789473682
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+- Ru
+- Np
+: 3.733333333333333
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+- Ru
+- Os
+: 3.222222222222222
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+- Ru
+- Pa
+: 3.844444444444444
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+- Ru
+- Pb
+: 3.2444444444444445
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+- Ru
+- Pd
+: 3.166666666666666
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+- Ru
+- Pm
+: 3.6315789473684212
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+- Ru
+- Po
+: 3.1777777777777776
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+- Ru
+- Pr
+: 3.6736842105263157
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+- Ru
+- Pt
+: 3.1333333333333337
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+- Ru
+- Pu
+: 3.7
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+- Ru
+- Ra
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+- Ru
+- Re
+: 3.3
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+- Ru
+- Rh
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+- Ru
+- Rn
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+- Ru
+- Ru
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+- Ru
+- Sb
+: 3.166666666666666
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+- Ru
+- Sm
+: 3.6210526315789475
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+- Ru
+- Sn
+: 3.166666666666666
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+- Tm
+: 3.536842105263158
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+- U
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+- W
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+: 2.833333333333333
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+: 2.6333333333333333
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+: 3.189473684210527
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+- I
+: 2.711111111111111
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+- In
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+- Tm
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+- Y
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+- I
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+- I
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+- I
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+- Si
+- Cs
+: 3.944444444444444
+? !!python/tuple
+- Si
+- Cu
+: 2.7
+? !!python/tuple
+- Si
+- Dy
+: 3.189473684210527
+? !!python/tuple
+- Si
+- Er
+: 3.1578947368421053
+? !!python/tuple
+- Si
+- Eu
+: 3.2526315789473683
+? !!python/tuple
+- Si
+- Fe
+: 2.922222222222222
+? !!python/tuple
+- Si
+- Fr
+: 4.122222222222222
+? !!python/tuple
+- Si
+- Ga
+: 2.588888888888889
+? !!python/tuple
+- Si
+- Gd
+: 3.2315789473684213
+? !!python/tuple
+- Si
+- Ge
+: 2.566666666666667
+? !!python/tuple
+- Si
+- Hf
+: 3.177777777777778
+? !!python/tuple
+- Si
+- Hg
+: 2.7
+? !!python/tuple
+- Si
+- Ho
+: 3.189473684210527
+? !!python/tuple
+- Si
+- I
+: 2.7777777777777777
+? !!python/tuple
+- Si
+- In
+: 2.8111111111111113
+? !!python/tuple
+- Si
+- Ir
+: 2.8
+? !!python/tuple
+- Si
+- K
+: 3.3052631578947365
+? !!python/tuple
+- Si
+- Kr
+: 2.522222222222222
+? !!python/tuple
+- Si
+- La
+: 3.3473684210526313
+? !!python/tuple
+- Si
+- Lu
+: 3.1368421052631583
+? !!python/tuple
+- Si
+- Mn
+: 3.022222222222222
+? !!python/tuple
+- Si
+- Mo
+: 2.9444444444444446
+? !!python/tuple
+- Si
+- Nb
+: 3.0555555555555554
+? !!python/tuple
+- Si
+- Nd
+: 3.28421052631579
+? !!python/tuple
+- Si
+- Ni
+: 2.611111111111111
+? !!python/tuple
+- Si
+- Np
+: 3.344444444444444
+? !!python/tuple
+- Si
+- Os
+: 2.833333333333333
+? !!python/tuple
+- Si
+- P
+: 2.4222222222222225
+? !!python/tuple
+- Si
+- Pa
+: 3.4555555555555557
+? !!python/tuple
+- Si
+- Pb
+: 2.8555555555555556
+? !!python/tuple
+- Si
+- Pd
+: 2.7777777777777777
+? !!python/tuple
+- Si
+- Pm
+: 3.2631578947368425
+? !!python/tuple
+- Si
+- Po
+: 2.7888888888888888
+? !!python/tuple
+- Si
+- Pr
+: 3.3052631578947365
+? !!python/tuple
+- Si
+- Pt
+: 2.7444444444444445
+? !!python/tuple
+- Si
+- Pu
+: 3.3111111111111113
+? !!python/tuple
+- Si
+- Ra
+: 3.688888888888889
+? !!python/tuple
+- Si
+- Rb
+: 3.677777777777778
+? !!python/tuple
+- Si
+- Re
+: 2.911111111111111
+? !!python/tuple
+- Si
+- Rh
+: 2.8111111111111113
+? !!python/tuple
+- Si
+- Rn
+: 2.9000000000000004
+? !!python/tuple
+- Si
+- Ru
+: 2.8555555555555556
+? !!python/tuple
+- Si
+- S
+: 2.4
+? !!python/tuple
+- Si
+- Sb
+: 2.7777777777777777
+? !!python/tuple
+- Si
+- Sc
+: 3.1222222222222222
+? !!python/tuple
+- Si
+- Se
+: 2.566666666666667
+? !!python/tuple
+- Si
+- Si
+: 2.466666666666667
+? !!python/tuple
+- Si
+- Sm
+: 3.2526315789473683
+? !!python/tuple
+- Si
+- Sn
+: 2.7777777777777777
+? !!python/tuple
+- Si
+- Sr
+: 3.4
+? !!python/tuple
+- Si
+- Ta
+: 3.1222222222222222
+? !!python/tuple
+- Si
+- Tb
+: 3.2105263157894735
+? !!python/tuple
+- Si
+- Tc
+: 2.8666666666666667
+? !!python/tuple
+- Si
+- Te
+: 2.766666666666667
+? !!python/tuple
+- Si
+- Th
+: 3.522222222222222
+? !!python/tuple
+- Si
+- Ti
+: 3.011111111111111
+? !!python/tuple
+- Si
+- Tl
+: 2.8444444444444446
+? !!python/tuple
+- Si
+- Tm
+: 3.168421052631579
+? !!python/tuple
+- Si
+- U
+: 3.4111111111111114
+? !!python/tuple
+- Si
+- V
+: 2.9333333333333336
+? !!python/tuple
+- Si
+- W
+: 3.0333333333333337
+? !!python/tuple
+- Si
+- Xe
+: 2.7888888888888888
+? !!python/tuple
+- Si
+- Y
+: 3.344444444444444
+? !!python/tuple
+- Si
+- Yb
+: 3.1368421052631583
+? !!python/tuple
+- Si
+- Zn
+: 2.588888888888889
+? !!python/tuple
+- Si
+- Zr
+: 2.9000000000000004
+? !!python/tuple
+- Sm
+- Ac
+: 4.347368421052631
+? !!python/tuple
+- Sm
+- Am
+: 3.978947368421053
+? !!python/tuple
+- Sm
+- At
+: 3.6631578947368424
+? !!python/tuple
+- Sm
+- Au
+: 3.5157894736842104
+? !!python/tuple
+- Sm
+- Bi
+: 3.642105263157895
+? !!python/tuple
+- Sm
+- Cm
+: 3.863157894736842
+? !!python/tuple
+- Sm
+- Dy
+: 4.105263157894737
+? !!python/tuple
+- Sm
+- Er
+: 4.0736842105263165
+? !!python/tuple
+- Sm
+- Eu
+: 4.1684210526315795
+? !!python/tuple
+- Sm
+- Fr
+: 4.821052631578947
+? !!python/tuple
+- Sm
+- Gd
+: 4.147368421052632
+? !!python/tuple
+- Sm
+- Hf
+: 3.9263157894736844
+? !!python/tuple
+- Sm
+- Hg
+: 3.473684210526316
+? !!python/tuple
+- Sm
+- Ho
+: 4.105263157894737
+? !!python/tuple
+- Sm
+- Ir
+: 3.568421052631579
+? !!python/tuple
+- Sm
+- Lu
+: 4.052631578947369
+? !!python/tuple
+- Sm
+- Np
+: 4.08421052631579
+? !!python/tuple
+- Sm
+- Os
+: 3.6
+? !!python/tuple
+- Sm
+- Pa
+: 4.189473684210527
+? !!python/tuple
+- Sm
+- Pb
+: 3.6210526315789475
+? !!python/tuple
+- Sm
+- Po
+: 3.557894736842105
+? !!python/tuple
+- Sm
+- Pt
+: 3.5157894736842104
+? !!python/tuple
+- Sm
+- Pu
+: 4.052631578947369
+? !!python/tuple
+- Sm
+- Ra
+: 4.410526315789474
+? !!python/tuple
+- Sm
+- Re
+: 3.673684210526316
+? !!python/tuple
+- Sm
+- Rn
+: 3.6631578947368424
+? !!python/tuple
+- Sm
+- Sm
+: 4.1684210526315795
+? !!python/tuple
+- Sm
+- Ta
+: 3.873684210526316
+? !!python/tuple
+- Sm
+- Tb
+: 4.126315789473685
+? !!python/tuple
+- Sm
+- Th
+: 4.252631578947368
+? !!python/tuple
+- Sm
+- Tl
+: 3.6105263157894734
+? !!python/tuple
+- Sm
+- Tm
+: 4.08421052631579
+? !!python/tuple
+- Sm
+- U
+: 4.147368421052632
+? !!python/tuple
+- Sm
+- W
+: 3.7894736842105265
+? !!python/tuple
+- Sm
+- Yb
+: 4.052631578947369
+? !!python/tuple
+- Sn
+- Ac
+: 3.933333333333333
+? !!python/tuple
+- Sn
+- Am
+: 3.5444444444444443
+? !!python/tuple
+- Sn
+- At
+: 3.211111111111111
+? !!python/tuple
+- Sn
+- Au
+: 3.0555555555555554
+? !!python/tuple
+- Sn
+- Ba
+: 3.933333333333333
+? !!python/tuple
+- Sn
+- Bi
+: 3.188888888888889
+? !!python/tuple
+- Sn
+- Ce
+: 3.6105263157894734
+? !!python/tuple
+- Sn
+- Cm
+: 3.422222222222222
+? !!python/tuple
+- Sn
+- Cs
+: 4.2555555555555555
+? !!python/tuple
+- Sn
+- Dy
+: 3.484210526315789
+? !!python/tuple
+- Sn
+- Er
+: 3.4526315789473685
+? !!python/tuple
+- Sn
+- Eu
+: 3.547368421052632
+? !!python/tuple
+- Sn
+- Fr
+: 4.433333333333334
+? !!python/tuple
+- Sn
+- Gd
+: 3.526315789473684
+? !!python/tuple
+- Sn
+- Hf
+: 3.4888888888888885
+? !!python/tuple
+- Sn
+- Hg
+: 3.011111111111111
+? !!python/tuple
+- Sn
+- Ho
+: 3.484210526315789
+? !!python/tuple
+- Sn
+- I
+: 3.0888888888888886
+? !!python/tuple
+- Sn
+- Ir
+: 3.1111111111111107
+? !!python/tuple
+- Sn
+- La
+: 3.642105263157895
+? !!python/tuple
+- Sn
+- Lu
+: 3.431578947368421
+? !!python/tuple
+- Sn
+- Nd
+: 3.578947368421052
+? !!python/tuple
+- Sn
+- Np
+: 3.6555555555555554
+? !!python/tuple
+- Sn
+- Os
+: 3.1444444444444444
+? !!python/tuple
+- Sn
+- Pa
+: 3.766666666666666
+? !!python/tuple
+- Sn
+- Pb
+: 3.166666666666666
+? !!python/tuple
+- Sn
+- Pm
+: 3.557894736842105
+? !!python/tuple
+- Sn
+- Po
+: 3.1
+? !!python/tuple
+- Sn
+- Pr
+: 3.6
+? !!python/tuple
+- Sn
+- Pt
+: 3.0555555555555554
+? !!python/tuple
+- Sn
+- Pu
+: 3.622222222222222
+? !!python/tuple
+- Sn
+- Ra
+: 3.9999999999999996
+? !!python/tuple
+- Sn
+- Re
+: 3.222222222222222
+? !!python/tuple
+- Sn
+- Rn
+: 3.211111111111111
+? !!python/tuple
+- Sn
+- Sb
+: 3.0888888888888886
+? !!python/tuple
+- Sn
+- Sm
+: 3.547368421052632
+? !!python/tuple
+- Sn
+- Sn
+: 3.0888888888888886
+? !!python/tuple
+- Sn
+- Ta
+: 3.433333333333333
+? !!python/tuple
+- Sn
+- Tb
+: 3.505263157894737
+? !!python/tuple
+- Sn
+- Te
+: 3.077777777777777
+? !!python/tuple
+- Sn
+- Th
+: 3.8333333333333335
+? !!python/tuple
+- Sn
+- Tl
+: 3.1555555555555554
+? !!python/tuple
+- Sn
+- Tm
+: 3.463157894736842
+? !!python/tuple
+- Sn
+- U
+: 3.722222222222222
+? !!python/tuple
+- Sn
+- W
+: 3.344444444444444
+? !!python/tuple
+- Sn
+- Xe
+: 3.1
+? !!python/tuple
+- Sn
+- Yb
+: 3.431578947368421
+? !!python/tuple
+- Sr
+- Ac
+: 4.555555555555555
+? !!python/tuple
+- Sr
+- Ag
+: 3.7777777777777777
+? !!python/tuple
+- Sr
+- Am
+: 4.166666666666667
+? !!python/tuple
+- Sr
+- At
+: 3.8333333333333335
+? !!python/tuple
+- Sr
+- Au
+: 3.6777777777777776
+? !!python/tuple
+- Sr
+- Ba
+: 4.555555555555555
+? !!python/tuple
+- Sr
+- Bi
+: 3.811111111111111
+? !!python/tuple
+- Sr
+- Cd
+: 3.766666666666666
+? !!python/tuple
+- Sr
+- Ce
+: 4.2
+? !!python/tuple
+- Sr
+- Cm
+: 4.044444444444444
+? !!python/tuple
+- Sr
+- Cs
+: 4.877777777777777
+? !!python/tuple
+- Sr
+- Dy
+: 4.0736842105263165
+? !!python/tuple
+- Sr
+- Er
+: 4.042105263157895
+? !!python/tuple
+- Sr
+- Eu
+: 4.136842105263158
+? !!python/tuple
+- Sr
+- Fr
+: 5.055555555555555
+? !!python/tuple
+- Sr
+- Gd
+: 4.11578947368421
+? !!python/tuple
+- Sr
+- Hf
+: 4.111111111111112
+? !!python/tuple
+- Sr
+- Hg
+: 3.6333333333333333
+? !!python/tuple
+- Sr
+- Ho
+: 4.0736842105263165
+? !!python/tuple
+- Sr
+- I
+: 3.711111111111111
+? !!python/tuple
+- Sr
+- In
+: 3.7444444444444445
+? !!python/tuple
+- Sr
+- Ir
+: 3.733333333333333
+? !!python/tuple
+- Sr
+- La
+: 4.231578947368421
+? !!python/tuple
+- Sr
+- Lu
+: 4.021052631578947
+? !!python/tuple
+- Sr
+- Mo
+: 3.8777777777777778
+? !!python/tuple
+- Sr
+- Nb
+: 3.9888888888888885
+? !!python/tuple
+- Sr
+- Nd
+: 4.1684210526315795
+? !!python/tuple
+- Sr
+- Np
+: 4.277777777777778
+? !!python/tuple
+- Sr
+- Os
+: 3.766666666666666
+? !!python/tuple
+- Sr
+- Pa
+: 4.388888888888889
+? !!python/tuple
+- Sr
+- Pb
+: 3.7888888888888888
+? !!python/tuple
+- Sr
+- Pd
+: 3.711111111111111
+? !!python/tuple
+- Sr
+- Pm
+: 4.147368421052632
+? !!python/tuple
+- Sr
+- Po
+: 3.722222222222222
+? !!python/tuple
+- Sr
+- Pr
+: 4.189473684210526
+? !!python/tuple
+- Sr
+- Pt
+: 3.6777777777777776
+? !!python/tuple
+- Sr
+- Pu
+: 4.2444444444444445
+? !!python/tuple
+- Sr
+- Ra
+: 4.622222222222223
+? !!python/tuple
+- Sr
+- Re
+: 3.844444444444444
+? !!python/tuple
+- Sr
+- Rh
+: 3.7444444444444445
+? !!python/tuple
+- Sr
+- Rn
+: 3.8333333333333335
+? !!python/tuple
+- Sr
+- Ru
+: 3.7888888888888888
+? !!python/tuple
+- Sr
+- Sb
+: 3.711111111111111
+? !!python/tuple
+- Sr
+- Sm
+: 4.136842105263158
+? !!python/tuple
+- Sr
+- Sn
+: 3.711111111111111
+? !!python/tuple
+- Sr
+- Sr
+: 4.333333333333333
+? !!python/tuple
+- Sr
+- Ta
+: 4.055555555555555
+? !!python/tuple
+- Sr
+- Tb
+: 4.094736842105263
+? !!python/tuple
+- Sr
+- Tc
+: 3.8
+? !!python/tuple
+- Sr
+- Te
+: 3.7
+? !!python/tuple
+- Sr
+- Th
+: 4.455555555555555
+? !!python/tuple
+- Sr
+- Tl
+: 3.7777777777777777
+? !!python/tuple
+- Sr
+- Tm
+: 4.052631578947368
+? !!python/tuple
+- Sr
+- U
+: 4.344444444444444
+? !!python/tuple
+- Sr
+- W
+: 3.966666666666667
+? !!python/tuple
+- Sr
+- Xe
+: 3.722222222222222
+? !!python/tuple
+- Sr
+- Y
+: 4.277777777777778
+? !!python/tuple
+- Sr
+- Yb
+: 4.021052631578947
+? !!python/tuple
+- Sr
+- Zr
+: 3.8333333333333335
+? !!python/tuple
+- Ta
+- Ac
+: 4.277777777777778
+? !!python/tuple
+- Ta
+- Am
+: 3.888888888888889
+? !!python/tuple
+- Ta
+- At
+: 3.555555555555556
+? !!python/tuple
+- Ta
+- Au
+: 3.4
+? !!python/tuple
+- Ta
+- Bi
+: 3.5333333333333328
+? !!python/tuple
+- Ta
+- Cm
+: 3.766666666666666
+? !!python/tuple
+- Ta
+- Fr
+: 4.777777777777778
+? !!python/tuple
+- Ta
+- Hg
+: 3.3555555555555556
+? !!python/tuple
+- Ta
+- Ir
+: 3.4555555555555553
+? !!python/tuple
+- Ta
+- Np
+: 3.9999999999999996
+? !!python/tuple
+- Ta
+- Os
+: 3.4888888888888885
+? !!python/tuple
+- Ta
+- Pa
+: 4.111111111111112
+? !!python/tuple
+- Ta
+- Pb
+: 3.511111111111111
+? !!python/tuple
+- Ta
+- Po
+: 3.4444444444444438
+? !!python/tuple
+- Ta
+- Pt
+: 3.4
+? !!python/tuple
+- Ta
+- Pu
+: 3.966666666666667
+? !!python/tuple
+- Ta
+- Ra
+: 4.344444444444444
+? !!python/tuple
+- Ta
+- Re
+: 3.5666666666666664
+? !!python/tuple
+- Ta
+- Rn
+: 3.555555555555556
+? !!python/tuple
+- Ta
+- Ta
+: 3.7777777777777777
+? !!python/tuple
+- Ta
+- Th
+: 4.177777777777777
+? !!python/tuple
+- Ta
+- Tl
+: 3.5
+? !!python/tuple
+- Ta
+- U
+: 4.066666666666666
+? !!python/tuple
+- Ta
+- W
+: 3.688888888888889
+? !!python/tuple
+- Tb
+- Ac
+: 4.3052631578947365
+? !!python/tuple
+- Tb
+- Am
+: 3.936842105263158
+? !!python/tuple
+- Tb
+- At
+: 3.6210526315789475
+? !!python/tuple
+- Tb
+- Au
+: 3.473684210526316
+? !!python/tuple
+- Tb
+- Bi
+: 3.6
+? !!python/tuple
+- Tb
+- Cm
+: 3.8210526315789473
+? !!python/tuple
+- Tb
+- Dy
+: 4.063157894736842
+? !!python/tuple
+- Tb
+- Er
+: 4.031578947368422
+? !!python/tuple
+- Tb
+- Fr
+: 4.778947368421053
+? !!python/tuple
+- Tb
+- Hf
+: 3.8842105263157896
+? !!python/tuple
+- Tb
+- Hg
+: 3.431578947368421
+? !!python/tuple
+- Tb
+- Ho
+: 4.063157894736842
+? !!python/tuple
+- Tb
+- Ir
+: 3.526315789473684
+? !!python/tuple
+- Tb
+- Lu
+: 4.010526315789474
+? !!python/tuple
+- Tb
+- Np
+: 4.042105263157895
+? !!python/tuple
+- Tb
+- Os
+: 3.557894736842105
+? !!python/tuple
+- Tb
+- Pa
+: 4.147368421052632
+? !!python/tuple
+- Tb
+- Pb
+: 3.5789473684210527
+? !!python/tuple
+- Tb
+- Po
+: 3.5157894736842104
+? !!python/tuple
+- Tb
+- Pt
+: 3.473684210526316
+? !!python/tuple
+- Tb
+- Pu
+: 4.010526315789474
+? !!python/tuple
+- Tb
+- Ra
+: 4.36842105263158
+? !!python/tuple
+- Tb
+- Re
+: 3.6315789473684212
+? !!python/tuple
+- Tb
+- Rn
+: 3.6210526315789475
+? !!python/tuple
+- Tb
+- Ta
+: 3.831578947368421
+? !!python/tuple
+- Tb
+- Tb
+: 4.08421052631579
+? !!python/tuple
+- Tb
+- Th
+: 4.2105263157894735
+? !!python/tuple
+- Tb
+- Tl
+: 3.568421052631579
+? !!python/tuple
+- Tb
+- Tm
+: 4.042105263157895
+? !!python/tuple
+- Tb
+- U
+: 4.105263157894737
+? !!python/tuple
+- Tb
+- W
+: 3.7473684210526317
+? !!python/tuple
+- Tb
+- Yb
+: 4.010526315789474
+? !!python/tuple
+- Tc
+- Ac
+: 4.022222222222222
+? !!python/tuple
+- Tc
+- Ag
+: 3.2444444444444445
+? !!python/tuple
+- Tc
+- Am
+: 3.6333333333333333
+? !!python/tuple
+- Tc
+- At
+: 3.3
+? !!python/tuple
+- Tc
+- Au
+: 3.1444444444444444
+? !!python/tuple
+- Tc
+- Ba
+: 4.022222222222222
+? !!python/tuple
+- Tc
+- Bi
+: 3.2777777777777777
+? !!python/tuple
+- Tc
+- Cd
+: 3.2333333333333334
+? !!python/tuple
+- Tc
+- Ce
+: 3.694736842105263
+? !!python/tuple
+- Tc
+- Cm
+: 3.511111111111111
+? !!python/tuple
+- Tc
+- Cs
+: 4.344444444444444
+? !!python/tuple
+- Tc
+- Dy
+: 3.568421052631579
+? !!python/tuple
+- Tc
+- Er
+: 3.536842105263158
+? !!python/tuple
+- Tc
+- Eu
+: 3.6315789473684212
+? !!python/tuple
+- Tc
+- Fr
+: 4.522222222222222
+? !!python/tuple
+- Tc
+- Gd
+: 3.6105263157894734
+? !!python/tuple
+- Tc
+- Hf
+: 3.5777777777777775
+? !!python/tuple
+- Tc
+- Hg
+: 3.1
+? !!python/tuple
+- Tc
+- Ho
+: 3.568421052631579
+? !!python/tuple
+- Tc
+- I
+: 3.1777777777777776
+? !!python/tuple
+- Tc
+- In
+: 3.211111111111111
+? !!python/tuple
+- Tc
+- Ir
+: 3.1999999999999997
+? !!python/tuple
+- Tc
+- La
+: 3.7263157894736842
+? !!python/tuple
+- Tc
+- Lu
+: 3.5157894736842104
+? !!python/tuple
+- Tc
+- Nd
+: 3.663157894736842
+? !!python/tuple
+- Tc
+- Np
+: 3.7444444444444445
+? !!python/tuple
+- Tc
+- Os
+: 3.2333333333333334
+? !!python/tuple
+- Tc
+- Pa
+: 3.855555555555555
+? !!python/tuple
+- Tc
+- Pb
+: 3.255555555555555
+? !!python/tuple
+- Tc
+- Pd
+: 3.1777777777777776
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+: 4.2555555555555555
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+- W
+- Re
+: 3.4777777777777774
+? !!python/tuple
+- W
+- Rn
+: 3.466666666666667
+? !!python/tuple
+- W
+- Th
+: 4.088888888888889
+? !!python/tuple
+- W
+- Tl
+: 3.4111111111111114
+? !!python/tuple
+- W
+- U
+: 3.977777777777778
+? !!python/tuple
+- W
+- W
+: 3.6
+? !!python/tuple
+- Xe
+- Ac
+: 3.944444444444444
+? !!python/tuple
+- Xe
+- Am
+: 3.555555555555556
+? !!python/tuple
+- Xe
+- At
+: 3.222222222222222
+? !!python/tuple
+- Xe
+- Au
+: 3.0666666666666664
+? !!python/tuple
+- Xe
+- Ba
+: 3.944444444444444
+? !!python/tuple
+- Xe
+- Bi
+: 3.1999999999999997
+? !!python/tuple
+- Xe
+- Ce
+: 3.6210526315789475
+? !!python/tuple
+- Xe
+- Cm
+: 3.433333333333333
+? !!python/tuple
+- Xe
+- Cs
+: 4.266666666666667
+? !!python/tuple
+- Xe
+- Dy
+: 3.4947368421052634
+? !!python/tuple
+- Xe
+- Er
+: 3.463157894736842
+? !!python/tuple
+- Xe
+- Eu
+: 3.557894736842105
+? !!python/tuple
+- Xe
+- Fr
+: 4.444444444444445
+? !!python/tuple
+- Xe
+- Gd
+: 3.536842105263158
+? !!python/tuple
+- Xe
+- Hf
+: 3.5
+? !!python/tuple
+- Xe
+- Hg
+: 3.0222222222222217
+? !!python/tuple
+- Xe
+- Ho
+: 3.4947368421052634
+? !!python/tuple
+- Xe
+- Ir
+: 3.122222222222222
+? !!python/tuple
+- Xe
+- La
+: 3.6526315789473682
+? !!python/tuple
+- Xe
+- Lu
+: 3.442105263157895
+? !!python/tuple
+- Xe
+- Nd
+: 3.5894736842105264
+? !!python/tuple
+- Xe
+- Np
+: 3.6666666666666665
+? !!python/tuple
+- Xe
+- Os
+: 3.1555555555555554
+? !!python/tuple
+- Xe
+- Pa
+: 3.7777777777777777
+? !!python/tuple
+- Xe
+- Pb
+: 3.1777777777777776
+? !!python/tuple
+- Xe
+- Pm
+: 3.568421052631579
+? !!python/tuple
+- Xe
+- Po
+: 3.1111111111111107
+? !!python/tuple
+- Xe
+- Pr
+: 3.6105263157894734
+? !!python/tuple
+- Xe
+- Pt
+: 3.0666666666666664
+? !!python/tuple
+- Xe
+- Pu
+: 3.6333333333333333
+? !!python/tuple
+- Xe
+- Ra
+: 4.011111111111111
+? !!python/tuple
+- Xe
+- Re
+: 3.2333333333333334
+? !!python/tuple
+- Xe
+- Rn
+: 3.222222222222222
+? !!python/tuple
+- Xe
+- Sm
+: 3.557894736842105
+? !!python/tuple
+- Xe
+- Ta
+: 3.4444444444444438
+? !!python/tuple
+- Xe
+- Tb
+: 3.5157894736842104
+? !!python/tuple
+- Xe
+- Th
+: 3.844444444444444
+? !!python/tuple
+- Xe
+- Tl
+: 3.166666666666666
+? !!python/tuple
+- Xe
+- Tm
+: 3.473684210526316
+? !!python/tuple
+- Xe
+- U
+: 3.733333333333333
+? !!python/tuple
+- Xe
+- W
+: 3.3555555555555556
+? !!python/tuple
+- Xe
+- Xe
+: 3.1111111111111107
+? !!python/tuple
+- Xe
+- Yb
+: 3.442105263157895
+? !!python/tuple
+- Y
+- Ac
+: 4.5
+? !!python/tuple
+- Y
+- Ag
+: 3.722222222222222
+? !!python/tuple
+- Y
+- Am
+: 4.111111111111112
+? !!python/tuple
+- Y
+- At
+: 3.7777777777777777
+? !!python/tuple
+- Y
+- Au
+: 3.622222222222222
+? !!python/tuple
+- Y
+- Ba
+: 4.5
+? !!python/tuple
+- Y
+- Bi
+: 3.7555555555555555
+? !!python/tuple
+- Y
+- Cd
+: 3.711111111111111
+? !!python/tuple
+- Y
+- Ce
+: 4.147368421052632
+? !!python/tuple
+- Y
+- Cm
+: 3.9888888888888885
+? !!python/tuple
+- Y
+- Cs
+: 4.822222222222222
+? !!python/tuple
+- Y
+- Dy
+: 4.021052631578947
+? !!python/tuple
+- Y
+- Er
+: 3.9894736842105267
+? !!python/tuple
+- Y
+- Eu
+: 4.08421052631579
+? !!python/tuple
+- Y
+- Fr
+: 5.0
+? !!python/tuple
+- Y
+- Gd
+: 4.063157894736842
+? !!python/tuple
+- Y
+- Hf
+: 4.055555555555555
+? !!python/tuple
+- Y
+- Hg
+: 3.5777777777777775
+? !!python/tuple
+- Y
+- Ho
+: 4.021052631578947
+? !!python/tuple
+- Y
+- I
+: 3.6555555555555554
+? !!python/tuple
+- Y
+- In
+: 3.6888888888888887
+? !!python/tuple
+- Y
+- Ir
+: 3.677777777777777
+? !!python/tuple
+- Y
+- La
+: 4.178947368421053
+? !!python/tuple
+- Y
+- Lu
+: 3.9684210526315793
+? !!python/tuple
+- Y
+- Mo
+: 3.822222222222222
+? !!python/tuple
+- Y
+- Nb
+: 3.933333333333333
+? !!python/tuple
+- Y
+- Nd
+: 4.11578947368421
+? !!python/tuple
+- Y
+- Np
+: 4.222222222222222
+? !!python/tuple
+- Y
+- Os
+: 3.711111111111111
+? !!python/tuple
+- Y
+- Pa
+: 4.333333333333333
+? !!python/tuple
+- Y
+- Pb
+: 3.733333333333333
+? !!python/tuple
+- Y
+- Pd
+: 3.6555555555555554
+? !!python/tuple
+- Y
+- Pm
+: 4.094736842105263
+? !!python/tuple
+- Y
+- Po
+: 3.6666666666666665
+? !!python/tuple
+- Y
+- Pr
+: 4.136842105263158
+? !!python/tuple
+- Y
+- Pt
+: 3.622222222222222
+? !!python/tuple
+- Y
+- Pu
+: 4.188888888888889
+? !!python/tuple
+- Y
+- Ra
+: 4.5666666666666655
+? !!python/tuple
+- Y
+- Re
+: 3.7888888888888888
+? !!python/tuple
+- Y
+- Rh
+: 3.6888888888888887
+? !!python/tuple
+- Y
+- Rn
+: 3.7777777777777777
+? !!python/tuple
+- Y
+- Ru
+: 3.733333333333333
+? !!python/tuple
+- Y
+- Sb
+: 3.6555555555555554
+? !!python/tuple
+- Y
+- Sm
+: 4.08421052631579
+? !!python/tuple
+- Y
+- Sn
+: 3.6555555555555554
+? !!python/tuple
+- Y
+- Ta
+: 3.9999999999999996
+? !!python/tuple
+- Y
+- Tb
+: 4.042105263157895
+? !!python/tuple
+- Y
+- Tc
+: 3.7444444444444445
+? !!python/tuple
+- Y
+- Te
+: 3.644444444444444
+? !!python/tuple
+- Y
+- Th
+: 4.3999999999999995
+? !!python/tuple
+- Y
+- Tl
+: 3.722222222222222
+? !!python/tuple
+- Y
+- Tm
+: 4.0
+? !!python/tuple
+- Y
+- U
+: 4.288888888888889
+? !!python/tuple
+- Y
+- W
+: 3.911111111111111
+? !!python/tuple
+- Y
+- Xe
+: 3.6666666666666665
+? !!python/tuple
+- Y
+- Y
+: 4.222222222222222
+? !!python/tuple
+- Y
+- Yb
+: 3.9684210526315793
+? !!python/tuple
+- Y
+- Zr
+: 3.7777777777777777
+? !!python/tuple
+- Yb
+- Ac
+: 4.231578947368421
+? !!python/tuple
+- Yb
+- Am
+: 3.863157894736842
+? !!python/tuple
+- Yb
+- At
+: 3.547368421052632
+? !!python/tuple
+- Yb
+- Au
+: 3.400000000000001
+? !!python/tuple
+- Yb
+- Bi
+: 3.5263157894736845
+? !!python/tuple
+- Yb
+- Cm
+: 3.7473684210526317
+? !!python/tuple
+- Yb
+- Fr
+: 4.705263157894738
+? !!python/tuple
+- Yb
+- Hf
+: 3.810526315789474
+? !!python/tuple
+- Yb
+- Hg
+: 3.357894736842106
+? !!python/tuple
+- Yb
+- Ir
+: 3.452631578947369
+? !!python/tuple
+- Yb
+- Lu
+: 3.936842105263158
+? !!python/tuple
+- Yb
+- Np
+: 3.9684210526315793
+? !!python/tuple
+- Yb
+- Os
+: 3.4842105263157896
+? !!python/tuple
+- Yb
+- Pa
+: 4.0736842105263165
+? !!python/tuple
+- Yb
+- Pb
+: 3.505263157894737
+? !!python/tuple
+- Yb
+- Po
+: 3.442105263157895
+? !!python/tuple
+- Yb
+- Pt
+: 3.400000000000001
+? !!python/tuple
+- Yb
+- Pu
+: 3.936842105263158
+? !!python/tuple
+- Yb
+- Ra
+: 4.294736842105263
+? !!python/tuple
+- Yb
+- Re
+: 3.557894736842105
+? !!python/tuple
+- Yb
+- Rn
+: 3.547368421052632
+? !!python/tuple
+- Yb
+- Ta
+: 3.757894736842106
+? !!python/tuple
+- Yb
+- Th
+: 4.136842105263158
+? !!python/tuple
+- Yb
+- Tl
+: 3.494736842105264
+? !!python/tuple
+- Yb
+- U
+: 4.031578947368422
+? !!python/tuple
+- Yb
+- W
+: 3.673684210526316
+? !!python/tuple
+- Yb
+- Yb
+: 3.936842105263158
+? !!python/tuple
+- Zn
+- Ac
+: 3.7444444444444445
+? !!python/tuple
+- Zn
+- Ag
+: 2.9666666666666663
+? !!python/tuple
+- Zn
+- Am
+: 3.3555555555555556
+? !!python/tuple
+- Zn
+- As
+: 2.677777777777778
+? !!python/tuple
+- Zn
+- At
+: 3.0222222222222217
+? !!python/tuple
+- Zn
+- Au
+: 2.8666666666666667
+? !!python/tuple
+- Zn
+- Ba
+: 3.7444444444444445
+? !!python/tuple
+- Zn
+- Bi
+: 3.0
+? !!python/tuple
+- Zn
+- Br
+: 2.6888888888888887
+? !!python/tuple
+- Zn
+- Cd
+: 2.9555555555555557
+? !!python/tuple
+- Zn
+- Ce
+: 3.431578947368421
+? !!python/tuple
+- Zn
+- Cm
+: 3.2333333333333334
+? !!python/tuple
+- Zn
+- Cs
+: 4.066666666666666
+? !!python/tuple
+- Zn
+- Dy
+: 3.3052631578947365
+? !!python/tuple
+- Zn
+- Er
+: 3.2736842105263158
+? !!python/tuple
+- Zn
+- Eu
+: 3.368421052631579
+? !!python/tuple
+- Zn
+- Fr
+: 4.2444444444444445
+? !!python/tuple
+- Zn
+- Ga
+: 2.711111111111111
+? !!python/tuple
+- Zn
+- Gd
+: 3.3473684210526313
+? !!python/tuple
+- Zn
+- Ge
+: 2.6888888888888887
+? !!python/tuple
+- Zn
+- Hf
+: 3.3
+? !!python/tuple
+- Zn
+- Hg
+: 2.8222222222222224
+? !!python/tuple
+- Zn
+- Ho
+: 3.3052631578947365
+? !!python/tuple
+- Zn
+- I
+: 2.9
+? !!python/tuple
+- Zn
+- In
+: 2.933333333333333
+? !!python/tuple
+- Zn
+- Ir
+: 2.922222222222222
+? !!python/tuple
+- Zn
+- Kr
+: 2.6444444444444444
+? !!python/tuple
+- Zn
+- La
+: 3.463157894736842
+? !!python/tuple
+- Zn
+- Lu
+: 3.2526315789473683
+? !!python/tuple
+- Zn
+- Mo
+: 3.0666666666666664
+? !!python/tuple
+- Zn
+- Nb
+: 3.1777777777777776
+? !!python/tuple
+- Zn
+- Nd
+: 3.3999999999999995
+? !!python/tuple
+- Zn
+- Np
+: 3.466666666666667
+? !!python/tuple
+- Zn
+- Os
+: 2.9555555555555557
+? !!python/tuple
+- Zn
+- Pa
+: 3.5777777777777775
+? !!python/tuple
+- Zn
+- Pb
+: 2.9777777777777774
+? !!python/tuple
+- Zn
+- Pd
+: 2.9
+? !!python/tuple
+- Zn
+- Pm
+: 3.378947368421053
+? !!python/tuple
+- Zn
+- Po
+: 2.911111111111111
+? !!python/tuple
+- Zn
+- Pr
+: 3.4210526315789473
+? !!python/tuple
+- Zn
+- Pt
+: 2.8666666666666667
+? !!python/tuple
+- Zn
+- Pu
+: 3.433333333333333
+? !!python/tuple
+- Zn
+- Ra
+: 3.811111111111111
+? !!python/tuple
+- Zn
+- Rb
+: 3.8
+? !!python/tuple
+- Zn
+- Re
+: 3.033333333333333
+? !!python/tuple
+- Zn
+- Rh
+: 2.933333333333333
+? !!python/tuple
+- Zn
+- Rn
+: 3.0222222222222217
+? !!python/tuple
+- Zn
+- Ru
+: 2.9777777777777774
+? !!python/tuple
+- Zn
+- Sb
+: 2.9
+? !!python/tuple
+- Zn
+- Se
+: 2.6888888888888887
+? !!python/tuple
+- Zn
+- Sm
+: 3.368421052631579
+? !!python/tuple
+- Zn
+- Sn
+: 2.9
+? !!python/tuple
+- Zn
+- Sr
+: 3.522222222222222
+? !!python/tuple
+- Zn
+- Ta
+: 3.2444444444444445
+? !!python/tuple
+- Zn
+- Tb
+: 3.3263157894736843
+? !!python/tuple
+- Zn
+- Tc
+: 2.988888888888889
+? !!python/tuple
+- Zn
+- Te
+: 2.8888888888888884
+? !!python/tuple
+- Zn
+- Th
+: 3.644444444444445
+? !!python/tuple
+- Zn
+- Tl
+: 2.9666666666666663
+? !!python/tuple
+- Zn
+- Tm
+: 3.28421052631579
+? !!python/tuple
+- Zn
+- U
+: 3.5333333333333328
+? !!python/tuple
+- Zn
+- W
+: 3.1555555555555554
+? !!python/tuple
+- Zn
+- Xe
+: 2.911111111111111
+? !!python/tuple
+- Zn
+- Y
+: 3.466666666666667
+? !!python/tuple
+- Zn
+- Yb
+: 3.2526315789473683
+? !!python/tuple
+- Zn
+- Zn
+: 2.711111111111111
+? !!python/tuple
+- Zn
+- Zr
+: 3.0222222222222217
+? !!python/tuple
+- Zr
+- Ac
+: 4.055555555555555
+? !!python/tuple
+- Zr
+- Ag
+: 3.2777777777777777
+? !!python/tuple
+- Zr
+- Am
+: 3.6666666666666665
+? !!python/tuple
+- Zr
+- At
+: 3.333333333333333
+? !!python/tuple
+- Zr
+- Au
+: 3.177777777777778
+? !!python/tuple
+- Zr
+- Ba
+: 4.055555555555555
+? !!python/tuple
+- Zr
+- Bi
+: 3.311111111111111
+? !!python/tuple
+- Zr
+- Cd
+: 3.2666666666666666
+? !!python/tuple
+- Zr
+- Ce
+: 3.7263157894736842
+? !!python/tuple
+- Zr
+- Cm
+: 3.5444444444444443
+? !!python/tuple
+- Zr
+- Cs
+: 4.377777777777777
+? !!python/tuple
+- Zr
+- Dy
+: 3.6
+? !!python/tuple
+- Zr
+- Er
+: 3.568421052631579
+? !!python/tuple
+- Zr
+- Eu
+: 3.6631578947368424
+? !!python/tuple
+- Zr
+- Fr
+: 4.555555555555555
+? !!python/tuple
+- Zr
+- Gd
+: 3.642105263157895
+? !!python/tuple
+- Zr
+- Hf
+: 3.611111111111111
+? !!python/tuple
+- Zr
+- Hg
+: 3.1333333333333337
+? !!python/tuple
+- Zr
+- Ho
+: 3.6
+? !!python/tuple
+- Zr
+- I
+: 3.211111111111111
+? !!python/tuple
+- Zr
+- In
+: 3.2444444444444445
+? !!python/tuple
+- Zr
+- Ir
+: 3.2333333333333334
+? !!python/tuple
+- Zr
+- La
+: 3.7578947368421054
+? !!python/tuple
+- Zr
+- Lu
+: 3.547368421052632
+? !!python/tuple
+- Zr
+- Mo
+: 3.3777777777777778
+? !!python/tuple
+- Zr
+- Nb
+: 3.4888888888888885
+? !!python/tuple
+- Zr
+- Nd
+: 3.694736842105263
+? !!python/tuple
+- Zr
+- Np
+: 3.7777777777777777
+? !!python/tuple
+- Zr
+- Os
+: 3.2666666666666666
+? !!python/tuple
+- Zr
+- Pa
+: 3.888888888888889
+? !!python/tuple
+- Zr
+- Pb
+: 3.2888888888888888
+? !!python/tuple
+- Zr
+- Pd
+: 3.211111111111111
+? !!python/tuple
+- Zr
+- Pm
+: 3.673684210526316
+? !!python/tuple
+- Zr
+- Po
+: 3.222222222222222
+? !!python/tuple
+- Zr
+- Pr
+: 3.7157894736842105
+? !!python/tuple
+- Zr
+- Pt
+: 3.177777777777778
+? !!python/tuple
+- Zr
+- Pu
+: 3.7444444444444445
+? !!python/tuple
+- Zr
+- Ra
+: 4.122222222222222
+? !!python/tuple
+- Zr
+- Re
+: 3.344444444444444
+? !!python/tuple
+- Zr
+- Rh
+: 3.2444444444444445
+? !!python/tuple
+- Zr
+- Rn
+: 3.333333333333333
+? !!python/tuple
+- Zr
+- Ru
+: 3.2888888888888888
+? !!python/tuple
+- Zr
+- Sb
+: 3.211111111111111
+? !!python/tuple
+- Zr
+- Sm
+: 3.6631578947368424
+? !!python/tuple
+- Zr
+- Sn
+: 3.211111111111111
+? !!python/tuple
+- Zr
+- Ta
+: 3.555555555555556
+? !!python/tuple
+- Zr
+- Tb
+: 3.6210526315789475
+? !!python/tuple
+- Zr
+- Tc
+: 3.3
+? !!python/tuple
+- Zr
+- Te
+: 3.1999999999999997
+? !!python/tuple
+- Zr
+- Th
+: 3.9555555555555557
+? !!python/tuple
+- Zr
+- Tl
+: 3.2777777777777777
+? !!python/tuple
+- Zr
+- Tm
+: 3.5789473684210527
+? !!python/tuple
+- Zr
+- U
+: 3.844444444444444
+? !!python/tuple
+- Zr
+- W
+: 3.466666666666667
+? !!python/tuple
+- Zr
+- Xe
+: 3.222222222222222
+? !!python/tuple
+- Zr
+- Yb
+: 3.547368421052632
+? !!python/tuple
+- Zr
+- Zr
+: 3.333333333333333
diff --git a/mofchecker/utils.py b/mofchecker/utils.py
index c2a53eb..9b4fce5 100644
--- a/mofchecker/utils.py
+++ b/mofchecker/utils.py
@@ -1,56 +1,5 @@
 # -*- coding: utf-8 -*-
 """Helper functions for the MOFChecker"""
-import warnings
-
-import networkx as nx
-import numpy as np
-import pymatgen
-from pymatgen.core import Molecule, Structure
-from pymatgen.io.cif import CifWriter
-from scipy import sparse
-
-from .definitions import COVALENT_RADII, METALS, VDW_RADII
-
-_COVALENT_RADII_MEDIAN = np.median(list(COVALENT_RADII.values()))
-_VDW_RADII_MEDIAN = np.median(list(VDW_RADII.values()))
-
-
-def _get_vdw_radius(element):
-    try:
-        radius = VDW_RADII[element]
-
-    except KeyError:
-        radius = _VDW_RADII_MEDIAN
-        warnings.warn(
-            f"Van-der-Waals radius for {element} unknown. Using median {radius:.2f}."
-        )
-    return radius
-
-
-def _vdw_radius_neighbors(structure, site_index, tolerance: float = 1.5):
-    elem = str(structure[site_index].specie)
-    radius = _get_vdw_radius(elem)
-    return structure.get_neighbors(structure[site_index], tolerance * radius)
-
-
-def _get_covalent_radius(element):
-    try:
-        radius = COVALENT_RADII[element]
-
-    except KeyError:
-        radius = _COVALENT_RADII_MEDIAN
-        warnings.warn(
-            f"Covalent radius for {element} unknown. Using median {radius:.2f}."
-        )
-    return radius
-
-
-def _is_any_neighbor_metal(neighbors):
-    for neighbor in neighbors:
-        if is_metal(neighbor.site):
-            return True
-
-    return False
 
 
 def _check_metal_coordination(site, coordination_number: int) -> bool:
@@ -76,271 +25,20 @@ def _check_metal_coordination(site, coordination_number: int) -> bool:
     return False
 
 
-def _maximum_angle(angle):
-    diff_to_180 = np.abs(180 - angle)
-    return max([angle, diff_to_180])
-
-
-def get_charges(structure: Structure):
-    """Compute EqEq charges for a pymatgen structure"""
-    try:
-        from openbabel import pybel  # pylint:disable=import-outside-toplevel
-
-        cif_structure = str(CifWriter(structure))
-        mol = pybel.readstring("cif", cif_structure)
-        mol.calccharges("eqeq")
-        charges = [a.partialcharge for a in mol]
-        return charges
-    except ImportError:
-        return None
-    except Exception as execp:  # pylint:disable=broad-except
-        warnings.warn(f"Exception occured during the charge calculation {execp}")
-        return None
-
-
-def _guess_underbound_nitrogen_cn3(
-    structure: Structure, site_index: int, neighbors: list, tolerance: int = 10
-) -> bool:
-    """Check if there is a nitrogen with three neighbors
-    that likely misses some coordination.
-
-    Args:
-        structure (Structure): pymatgen Structure object
-        site_index (int): index of the central site that is check
-        neighbors (list): list of neighboring sites
-        tolerance (int, optional): Tolerance for angle checks in degree.
-            Defaults to 10.
-
-    Returns:
-        bool: True if the nitrogen is likely missing some coordination partner
-    """
-    angle_a = structure.get_angle(site_index, neighbors[0].index, neighbors[1].index)
-    angle_b = structure.get_angle(site_index, neighbors[0].index, neighbors[2].index)
-    angle_c = structure.get_angle(site_index, neighbors[1].index, neighbors[2].index)
-    min_angle = np.min([angle_a, angle_b, angle_c])
-
-    any_metal = False
-    for neighbor in neighbors:
-        if is_metal(neighbor.site):
-            any_metal = True
-
-    num_h = 0
-    for neighbor in neighbors:
-        if str(neighbor.site.specie) == "H":
-            num_h += 1
-
-    if min_angle + tolerance < 110:
-        # let's only do this if one of the neighbors is a metal.
-        # sometimes the M-N bond is so long that it isn't correctly recognized
-        # obviously, this now won't detect missing H on a floating NH3
-        # but this is probably a rare situation
-        if any_metal and (num_h == 2):
-            return True
-
-    return False
-
-
-def _guess_underbound_nitrogen_cn2(  # pylint:disable=too-many-arguments
-    structure: Structure,
-    site_index: int,
-    neighbors: list,
-    connected_sites_a: list,
-    connected_sites_b: list,
-    tolerance: int = 10,
-) -> bool:
-    """Check if there is a nitrogen with CN 2 that probably misses
-    some coordination.
-
-    Args:
-        structure (Structure): pymatgen Structure object
-        site_index (int): Index of the site on which the check is performed
-        neighbors (list): List of neighboring sites
-        connected_sites_a (list): List of neighbor sites for first neighbor
-        connected_sites_b (list): List of neighbor sites for second neighbor
-        tolerance (int, optional): Tolerance for angle checks in degree.
-             Defaults to 10.
-
-    Returns:
-        bool: True if there is a nitrogen that likely misses some coordination.
-    """
-    angle = structure.get_angle(site_index, neighbors[0].index, neighbors[1].index)
-    neighbor_species = set(
-        [str(neighbors[0].site.specie), str(neighbors[1].site.specie)]
-    )
-
-    if (np.abs(180 - angle) < tolerance) or (np.abs(0 - angle) < tolerance):
-        # sp hybridization if the nitrogen is linear
-        # this could be a nitride or a nitrosyl
-        # usually, there is nothing to worry about if this is the case
-        return False
-    if angle < 115:
-        # typically angle around 109.5 degree for sp3 hybridization
-        # if we only have two neighbors but the nitrogen is likely
-        # sp3 this is suspicious
-        # to be sure we will check if it is planar (pyridine) or
-        # not (piperazine) in the case the two neighbors are carbon
-        # if neighbor_species == set(["C", "C"]):
-
-        dihedral_a = structure.get_dihedral(
-            site_index,
-            neighbors[0].index,
-            neighbors[1].index,
-            connected_sites_a[0].index,
-        )
-        dihedral_b = structure.get_dihedral(
-            site_index,
-            neighbors[0].index,
-            neighbors[1].index,
-            connected_sites_b[0].index,
-        )
-
-        mean_dihedral = np.mean([dihedral_a, dihedral_b])
-        if (np.abs(mean_dihedral - 180) < tolerance) or (
-            np.abs(mean_dihedral - 0) < tolerance
-        ):
-            return False
-        return True
-
-    # larger angles should indicate sp2 hybridization
-    # one case where MOFs might have an issue with sp2
-    # is an NH2 group planar to the ring where one H is missing
-    # the heuristic we use to catch this is if one of the neighbors
-    # is H
-    if "H" in neighbor_species:
-        return True
-    return False
-
-
-class LowCoordinationNumber(KeyError):
-    """Error for low coordination number"""
-
-
-class HighCoordinationNumber(KeyError):
-    """Error for high coordination number"""
-
-
-class NoOpenDefined(KeyError):
-    """Error in case the open check is not defined
-    for this coordination numberF"""
-
-
-class NoMetal(KeyError):
-    """Error in case there is no metal in structure"""
-
-
-def compute_overlap_matrix(
-    distance_matrix: np.array, allatomtypes: list, tolerance: float = 1.0
-):
-    """
-    Find atomic overlap based on pairwise distance and Covalent radii.
-
-    Criterion: if dist < min (CovR_1,CovR_2) -> overlap
-        (this function is used in molsimplify)
-    """
-    with warnings.catch_warnings():
-        warnings.filterwarnings("once")  # only warn once for missing radius data
-
-        overlap_matrix = np.zeros(distance_matrix.shape)
-        for i, elem_1 in enumerate(allatomtypes[:-1]):
-            for j, elem_2 in enumerate(allatomtypes[i + 1 :]):
-                dist = distance_matrix[i, i + j + 1]
-                # check for atomic overlap:
-                if dist < tolerance * min(
-                    _get_covalent_radius(elem_1), _get_covalent_radius(elem_2)
-                ):
-                    overlap_matrix[i, i + j + 1] = 1
-                    overlap_matrix[i + j + 1, i] = 1
-    return sparse.csr_matrix(overlap_matrix)
-
-
-def get_overlaps(s: Structure) -> list:  # pylint: disable=invalid-name
-    """Find overlapping atoms in a structure."""
-    distance_matrix = s.distance_matrix
-    atomtypes = [str(species) for species in s.species]
-    overlap_matrix = compute_overlap_matrix(distance_matrix, atomtypes)
-    overlap_atoms = []
-    for atom in set(sparse.find(overlap_matrix)[0]):
-        overlap_atoms.append(atom.item())
-    return overlap_atoms
-
-
 def print_dict(dictionary):
     """Print a dictionary to stdout line by line."""
     for k, v in dictionary.items():  # pylint: disable=invalid-name
         print(k, v)
 
 
-def get_subgraphs_as_molecules_all(
-    structure_graph: pymatgen.analysis.graphs.StructureGraph,
-):
-    """Copied from
-    http://pymatgen.org/_modules/pymatgen/analysis/graphs.html#StructureGraph.get_subgraphs_as_molecules
-    and removed the duplicate check
-
-    Args:
-        structure_graph ( pymatgen.analysis.graphs.StructureGraph): Structuregraph
-
-    Returns:
-        List: list of molecules
-    """
-
-    # creating a supercell is an easy way to extract
-    # molecules (and not, e.g., layers of a 2D crystal)
-    # without adding extra logic
-    supercell_sg = structure_graph * (3, 3, 3)
-
-    # make undirected to find connected subgraphs
-    supercell_sg.graph = nx.Graph(supercell_sg.graph)
-
-    # find subgraphs
-    all_subgraphs = [
-        supercell_sg.graph.subgraph(c)
-        for c in nx.connected_components(supercell_sg.graph)
-    ]
-
-    # discount subgraphs that lie across *supercell* boundaries
-    # these will subgraphs representing crystals
-    molecule_subgraphs = []
-    for subgraph in all_subgraphs:
-        intersects_boundary = any(
-            (d["to_jimage"] != (0, 0, 0) for u, v, d in subgraph.edges(data=True))
-        )
-        if not intersects_boundary:
-            molecule_subgraphs.append(nx.MultiDiGraph(subgraph))
-
-    # add specie names to graph to be able to test for isomorphism
-    for subgraph in molecule_subgraphs:
-        for node in subgraph:
-            subgraph.add_node(node, specie=str(supercell_sg.structure[node].specie))
-
-    # get Molecule objects for each subgraph
-    molecules = []
-    for subgraph in molecule_subgraphs:
-        coords = [supercell_sg.structure[n].coords for n in subgraph.nodes()]
-        species = [supercell_sg.structure[n].specie for n in subgraph.nodes()]
-
-        molecule = Molecule(species, coords)
-
-        # shift so origin is at center of mass
-        molecule = molecule.get_centered_molecule()
-
-        molecules.append(molecule)
-
-    return molecules
-
-
 def _check_if_ordered(structure):
     if not structure.is_ordered:
         raise NotImplementedError(
             "Support of unordered structures with partial occupancies \
                 is not implemented (yet)."
         )
-
-
-def is_metal(site: pymatgen.core.Site) -> bool:
-    """according to conquest help:
-    transition metal, lanthanide, actinide,
-    or Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Po"""
-    if str(site.specie) in METALS:
-        return True
-    return False
+    for site in structure:
+        if site.specie.atomic_radius is None:
+            raise NotImplementedError(
+                f"Pymatgen currently does not support this {str(site.specie)} element"
+            )
diff --git a/requirements.txt b/requirements.txt
deleted file mode 100644
index 7cc467a..0000000
--- a/requirements.txt
+++ /dev/null
@@ -1,3 +0,0 @@
-pymatgen>=2021.1,<2022
-click==8.*
-networkx==2.*
diff --git a/setup.py b/setup.py
index 75456ab..6110b4d 100644
--- a/setup.py
+++ b/setup.py
@@ -13,9 +13,6 @@
 with open("README.md", "r") as handle:
     LONG_DESCRIPTION = handle.read()
 
-with open("requirements.txt") as f:
-    requirements = f.read().splitlines()
-
 setup(
     # Self-descriptive entries which should always be present
     name="mofchecker",
@@ -27,12 +24,20 @@
     version=versioneer.get_version(),
     cmdclass=versioneer.get_cmdclass(),
     url="https://github.com/kjappelbaum/mofchecker",
-    license="MIT",
+    license="GPL",
     packages=find_packages(),
     include_package_data=True,
     # Allows `setup.py test` to work correctly with pytest
     setup_requires=pytest_runner,
-    install_requires=requirements,
+    install_requires=[
+        "pymatgen>=2021.1,<2022",
+        "click==8.*",
+        "networkx>=2.5",
+        "pyeqeq",
+        "backports.cached-property",
+        "ase",
+        "pyyaml",
+    ],
     extras_require={
         "testing": ["pytest", "pytest-cov<2.12"],
         "docs": [
@@ -44,11 +49,6 @@
         "dev": ["versioneer"],
         "pre-commit": ["pylint", "pre-commit"],
     },
-    entry_points={
-        "console_scripts": [
-            "mofchecker = mofchecker.cli:main",
-        ],
-    },
     classifiers=[
         "License :: OSI Approved :: MIT License",
         "Programming Language :: Python",


Test patch:
diff --git a/examples/test_on_core.ipynb b/examples/test_on_core.ipynb
index 1c17867..113a272 100644
--- a/examples/test_on_core.ipynb
+++ b/examples/test_on_core.ipynb
@@ -68,7 +68,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python [conda env:omsdetector] *",
+   "display_name": "Python [conda env:omsdetector]",
    "language": "python",
    "name": "conda-env-omsdetector-py"
   },
diff --git a/tests/conftest.py b/tests/conftest.py
index 7e2837c..97ba62f 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -4,7 +4,7 @@
 import os
 
 import pytest
-from pymatgen import Structure
+from pymatgen.core import Structure
 
 THIS_DIR = os.path.dirname(os.path.realpath(__file__))
 
diff --git a/tests/test_utils.py b/tests/test_data.py
similarity index 94%
rename from tests/test_utils.py
rename to tests/test_data.py
index 010a64c..ddeef4e 100644
--- a/tests/test_utils.py
+++ b/tests/test_data.py
@@ -1,7 +1,6 @@
 # -*- coding: utf-8 -*-
-# pylint: disable=duplicate-code
 """Test for the utils module"""
-from mofchecker.utils import _get_covalent_radius, _get_vdw_radius
+from mofchecker.checks.data import _get_covalent_radius, _get_vdw_radius
 
 ELEMENTS = [
     "H",
diff --git a/tests/test_files/1246903.res b/tests/test_files/1246903.res
deleted file mode 100644
index ab825b5..0000000
--- a/tests/test_files/1246903.res
+++ /dev/null
@@ -1,1 +0,0 @@
-tests/test_files/1246903.res    1.70107 0.95106  1.64805
diff --git a/tests/test_files/1246903.vol b/tests/test_files/1246903.vol
deleted file mode 100644
index 90cfab5..0000000
--- a/tests/test_files/1246903.vol
+++ /dev/null
@@ -1,3 +0,0 @@
-@ tests/test_files/1246903.vol Unitcell_volume: 1134.97   Density: 1.86833   AV_A^3: 0 AV_Volume_fraction: 0 AV_cm^3/g: 0 NAV_A^3: 0 NAV_Volume_fraction: 0 NAV_cm^3/g: 0
-Number_of_channels: 0 Channel_volume_A^3:
-Number_of_pockets: 0 Pocket_volume_A^3:
diff --git a/tests/test_files/18141N2.cif b/tests/test_files/18141N2.cif
new file mode 100644
index 0000000..b324c94
--- /dev/null
+++ b/tests/test_files/18141N2.cif
@@ -0,0 +1,214 @@
+data_crystal
+
+_cell_length_a    25.92550
+_cell_length_b    25.34670
+_cell_length_c    9.65780
+_cell_angle_alpha 90.00000
+_cell_angle_beta  90.00000
+_cell_angle_gamma 120.00000
+
+_space_group_name_Hall 'P 1'
+_space_group_name_H-M_alt  'P 1'
+
+loop_
+_symmetry_equiv_pos_as_xyz
+'x,y,z'
+
+loop_
+_atom_site_label
+_atom_site_type_symbol
+_atom_site_fract_x
+_atom_site_fract_y
+_atom_site_fract_z
+C          C       0.21942   0.52565   0.11023
+C          C       0.28219   0.56005   0.10214
+C          C       0.31051   0.62368   0.10499
+C          C       0.27703   0.65302   0.11844
+C          C       0.21448   0.61802   0.12396
+C          C       0.18533   0.55445   0.12425
+C          C       0.31868   0.52999   0.10888
+C          C       0.30729   0.71951   0.14183
+C          C       0.12027   0.51915   0.15487
+C          C       0.08212   0.46525   0.08200
+C          C       0.02061   0.43329   0.11159
+C          C       0.99668   0.45483   0.21566
+C          C       0.03499   0.50781   0.28941
+C          C       0.09601   0.53959   0.26003
+C          C       0.30499   0.47900   0.02540
+C          C       0.33902   0.45018   0.03735
+C          C       0.38707   0.47173   0.13257
+C          C       0.39999   0.52231   0.21751
+C          C       0.36647   0.55119   0.20492
+C          C       0.28535   0.74335   0.24477
+C          C       0.31486   0.80543   0.27281
+C          C       0.36766   0.84513   0.19944
+C          C       0.38891   0.82158   0.09500
+C          C       0.35928   0.75937   0.06664
+N          N       0.93435   0.42510   0.25187
+N          N       0.41859   0.43872   0.14911
+N          N       0.40101   0.90921   0.22697
+C          C       0.47113   0.46073   0.20705
+C          C       0.49669   0.42203   0.24263
+C          C       0.53896   0.44077   0.35118
+C          C       0.56067   0.40355   0.39810
+C          C       0.54139   0.34617   0.33647
+C          C       0.50310   0.33061   0.21749
+C          C       0.47904   0.36671   0.17491
+C          C       0.56112   0.30246   0.38861
+C          C       0.52097   0.23859   0.38697
+C          C       0.54403   0.19809   0.39304
+C          C       0.60704   0.22198   0.39789
+C          C       0.64631   0.28550   0.39747
+C          C       0.62196   0.32346   0.42275
+C          C       0.45368   0.21346   0.38637
+C          C       0.50351   0.13104   0.37711
+C          C       0.63265   0.17999   0.41618
+C          C       0.71026   0.31148   0.34780
+C          C       0.66528   0.39025   0.43971
+C          C       0.51358   0.10036   0.26676
+C          C       0.47915   0.03752   0.25360
+C          C       0.43130   0.00400   0.34627
+C          C       0.41997   0.03438   0.45490
+C          C       0.45655   0.09703   0.47215
+C          C       0.75941   0.36294   0.40840
+C          C       0.81749   0.38425   0.35875
+C          C       0.82860   0.35523   0.24637
+C          C       0.78027   0.30486   0.18342
+C          C       0.72196   0.28434   0.23128
+C          C       0.39327   0.93770   0.33178
+C          C       0.89004   0.37794   0.19307
+H          H       0.19756   0.47668   0.11577
+H          H       0.35893   0.65025   0.10358
+H          H       0.18830   0.64042   0.13234
+H          H       0.09969   0.44856   0.00040
+H          H       0.99256   0.39233   0.05271
+H          H       0.01734   0.52446   0.37097
+H          H       0.12442   0.57992   0.32118
+H          H       0.26824   0.46170   0.45070
+H          H       0.32779   0.41083   0.47262
+H          H       0.43431   0.53865   0.29802
+H          H       0.37665   0.58902   0.27429
+H          H       0.24606   0.71376   0.30662
+H          H       0.29606   0.82140   0.35255
+H          H       0.42899   0.85161   0.03610
+H          H       0.37683   0.74249   0.48542
+H          H       0.49567   0.50747   0.24129
+H          H       0.55353   0.48358   0.40458
+H          H       0.59045   0.42072   0.48640
+H          H       0.49023   0.28926   0.15951
+H          H       0.44759   0.35190   0.08772
+H          H       0.43329   0.18756   0.48406
+H          H       0.43318   0.18430   0.29199
+H          H       0.44051   0.24858   0.38949
+H          H       0.63354   0.15904   0.31416
+H          H       0.60600   0.14365   0.49344
+H          H       0.67912   0.20425   0.45724
+H          H       0.68056   0.41262   0.33505
+H          H       0.70369   0.39832   0.00691
+H          H       0.64559   0.41204   0.00405
+H          H       0.54805   0.12535   0.18948
+H          H       0.48930   0.01548   0.16875
+H          H       0.38385   0.00938   0.02925
+H          H       0.44913   0.11813   0.06299
+H          H       0.75537   0.38690   0.49691
+H          H       0.85384   0.42343   0.40988
+H          H       0.78741   0.28216   0.09490
+H          H       0.68549   0.24703   0.17638
+H          H       0.35954   0.91363   0.41154
+H          H       0.89704   0.35554   0.10401
+C          C       0.21942   0.52565   0.61023
+C          C       0.28219   0.56005   0.60213
+C          C       0.31051   0.62368   0.60499
+C          C       0.27703   0.65302   0.61844
+C          C       0.21448   0.61802   0.62396
+C          C       0.18533   0.55445   0.62425
+C          C       0.31868   0.52999   0.60889
+C          C       0.30729   0.71951   0.64183
+C          C       0.12027   0.51915   0.65487
+C          C       0.08212   0.46525   0.58200
+C          C       0.02061   0.43329   0.61159
+C          C       0.99668   0.45483   0.71565
+C          C       0.03499   0.50781   0.78941
+C          C       0.09601   0.53959   0.76002
+C          C       0.30499   0.47900   0.52540
+C          C       0.33902   0.45018   0.53735
+C          C       0.38707   0.47173   0.63257
+C          C       0.39999   0.52231   0.71751
+C          C       0.36647   0.55119   0.70492
+C          C       0.28535   0.74335   0.74477
+C          C       0.31486   0.80543   0.77281
+C          C       0.36766   0.84513   0.69944
+C          C       0.38891   0.82158   0.59500
+C          C       0.35928   0.75937   0.56664
+N          N       0.93435   0.42510   0.75187
+N          N       0.41859   0.43872   0.64911
+N          N       0.40101   0.90921   0.72696
+C          C       0.47113   0.46073   0.70705
+C          C       0.49669   0.42203   0.74263
+C          C       0.53896   0.44077   0.85119
+C          C       0.56067   0.40355   0.89811
+C          C       0.54139   0.34617   0.83647
+C          C       0.50310   0.33061   0.71749
+C          C       0.47904   0.36671   0.67491
+C          C       0.56112   0.30246   0.88861
+C          C       0.52097   0.23859   0.88697
+C          C       0.54403   0.19809   0.89304
+C          C       0.60704   0.22198   0.89789
+C          C       0.64631   0.28550   0.89746
+C          C       0.62196   0.32346   0.92275
+C          C       0.45368   0.21346   0.88637
+C          C       0.50351   0.13104   0.87711
+C          C       0.63265   0.17999   0.91618
+C          C       0.71026   0.31148   0.84780
+C          C       0.66528   0.39025   0.93971
+C          C       0.51358   0.10036   0.76676
+C          C       0.47915   0.03752   0.75360
+C          C       0.43130   0.00400   0.84627
+C          C       0.41997   0.03438   0.95490
+C          C       0.45655   0.09703   0.97215
+C          C       0.75941   0.36294   0.90841
+C          C       0.81749   0.38425   0.85875
+C          C       0.82860   0.35523   0.74638
+C          C       0.78027   0.30486   0.68342
+C          C       0.72196   0.28434   0.73128
+C          C       0.39327   0.93770   0.83178
+C          C       0.89004   0.37794   0.69307
+H          H       0.19756   0.47668   0.61577
+H          H       0.35893   0.65025   0.60357
+H          H       0.18830   0.64042   0.63234
+H          H       0.09969   0.44856   0.50040
+H          H       0.99256   0.39233   0.55271
+H          H       0.01734   0.52446   0.87097
+H          H       0.12442   0.57992   0.82118
+H          H       0.26824   0.46170   0.95070
+H          H       0.32779   0.41083   0.97262
+H          H       0.43431   0.53865   0.79802
+H          H       0.37665   0.58902   0.77429
+H          H       0.24606   0.71376   0.80662
+H          H       0.29606   0.82140   0.85255
+H          H       0.42899   0.85161   0.53610
+H          H       0.37683   0.74249   0.98542
+H          H       0.49567   0.50747   0.74129
+H          H       0.55353   0.48358   0.90458
+H          H       0.59045   0.42072   0.98640
+H          H       0.49023   0.28926   0.65951
+H          H       0.44759   0.35190   0.58771
+H          H       0.43329   0.18756   0.98406
+H          H       0.43318   0.18430   0.79199
+H          H       0.44051   0.24858   0.88949
+H          H       0.63354   0.15904   0.81416
+H          H       0.60600   0.14365   0.99343
+H          H       0.67912   0.20425   0.95724
+H          H       0.68056   0.41262   0.83505
+H          H       0.70369   0.39832   0.50692
+H          H       0.64559   0.41204   0.50406
+H          H       0.54805   0.12535   0.68948
+H          H       0.48930   0.01548   0.66875
+H          H       0.38385   0.00938   0.52926
+H          H       0.44913   0.11813   0.56299
+H          H       0.75537   0.38690   0.99691
+H          H       0.85384   0.42343   0.90988
+H          H       0.78741   0.28216   0.59490
+H          H       0.68549   0.24703   0.67638
+H          H       0.35954   0.91363   0.91154
+H          H       0.89704   0.35554   0.60401
diff --git a/tests/test_files/20211N2.cif b/tests/test_files/20211N2.cif
new file mode 100644
index 0000000..b5f8f87
--- /dev/null
+++ b/tests/test_files/20211N2.cif
@@ -0,0 +1,214 @@
+data_crystal
+
+_cell_length_a    25.02200
+_cell_length_b    25.02200
+_cell_length_c    8.30000
+_cell_angle_alpha 90.00000
+_cell_angle_beta  90.00000
+_cell_angle_gamma 120.00000
+
+_space_group_name_Hall 'P 1'
+_space_group_name_H-M_alt  'P 1'
+
+loop_
+_symmetry_equiv_pos_as_xyz
+'x,y,z'
+
+loop_
+_atom_site_label
+_atom_site_type_symbol
+_atom_site_fract_x
+_atom_site_fract_y
+_atom_site_fract_z
+C          C       0.36830   0.63817   0.45148
+C          C       0.36183   0.73013   0.45148
+C          C       0.26987   0.63170   0.45148
+C          C       0.40401   0.60825   0.48157
+C          C       0.39175   0.79576   0.48157
+C          C       0.20424   0.59599   0.48157
+C          C       0.39006   0.57164   0.09650
+C          C       0.42836   0.81842   0.09650
+C          C       0.18158   0.60994   0.09650
+C          C       0.41909   0.53922   0.12169
+C          C       0.46078   0.87987   0.12169
+C          C       0.12013   0.58091   0.12169
+C          C       0.46568   0.54573   0.03676
+C          C       0.45427   0.91995   0.03676
+C          C       0.08005   0.53432   0.03676
+C          C       0.48083   0.58350   0.42461
+C          C       0.41650   0.89733   0.42461
+C          C       0.10267   0.51917   0.42461
+C          C       0.44963   0.61345   0.39560
+C          C       0.38655   0.83618   0.39560
+C          C       0.16382   0.55037   0.39560
+N          N       0.49870   0.51522   0.05929
+N          N       0.48478   0.98348   0.05929
+N          N       0.01652   0.50130   0.05929
+C          C       0.49049   0.47742   0.15514
+C          C       0.52258   0.01307   0.15514
+C          C       0.98693   0.50951   0.15514
+C          C       0.52812   0.44938   0.16333
+C          C       0.55062   0.07874   0.16333
+C          C       0.92126   0.47188   0.16333
+C          C       0.51467   0.40435   0.25921
+C          C       0.59565   0.11032   0.25921
+C          C       0.88968   0.48533   0.25921
+C          C       0.54882   0.37616   0.26644
+C          C       0.62384   0.17266   0.26644
+C          C       0.82734   0.45118   0.26644
+C          C       0.59750   0.39311   0.17893
+C          C       0.60689   0.20439   0.17893
+C          C       0.79561   0.40250   0.17893
+C          C       0.61148   0.43872   0.08417
+C          C       0.56128   0.17276   0.08417
+C          C       0.82724   0.38852   0.08417
+C          C       0.57699   0.46647   0.07600
+C          C       0.53353   0.11052   0.07600
+C          C       0.88948   0.42301   0.07600
+C          C       0.63296   0.36253   0.18429
+C          C       0.63747   0.27043   0.18429
+C          C       0.72957   0.36704   0.18429
+C          C       0.69568   0.39584   0.18459
+C          C       0.60416   0.29984   0.18459
+C          C       0.70016   0.30432   0.18459
+C          C       0.39675   0.70158   0.44657
+C          C       0.29842   0.69517   0.44657
+C          C       0.30483   0.60325   0.44657
+H          H       0.54804   0.19636   0.01434
+H          H       0.80364   0.35168   0.01434
+H          H       0.64832   0.45196   0.01434
+H          H       0.49904   0.08743   0.00072
+H          H       0.91257   0.41161   0.00072
+H          H       0.58839   0.50096   0.00072
+H          H       0.65849   0.19609   0.34127
+H          H       0.80391   0.46240   0.34127
+H          H       0.53760   0.34151   0.34127
+H          H       0.43317   0.78837   0.16507
+H          H       0.21163   0.64480   0.16507
+H          H       0.35520   0.56683   0.16507
+H          H       0.48983   0.89491   0.20870
+H          H       0.10509   0.59492   0.20870
+H          H       0.40508   0.51017   0.20870
+H          H       0.41154   0.92755   0.35695
+H          H       0.07245   0.48399   0.35695
+H          H       0.51601   0.58846   0.35695
+H          H       0.36091   0.82121   0.30353
+H          H       0.17879   0.53970   0.30353
+H          H       0.46030   0.63909   0.30353
+H          H       0.53513   0.99068   0.22940
+H          H       0.00932   0.54445   0.22940
+H          H       0.45555   0.46487   0.22940
+H          H       0.72611   0.28185   0.18316
+H          H       0.71815   0.44426   0.18316
+H          H       0.55574   0.27389   0.18316
+C          C       0.26508   0.72119   0.43967
+H          H       0.29444   0.77024   0.43667
+H          H       0.23588   0.70856   0.54345
+H          H       0.23729   0.70635   0.33315
+C          C       0.44914   0.73234   0.44035
+H          H       0.47014   0.70415   0.43723
+H          H       0.46503   0.76159   0.54415
+H          H       0.46133   0.76009   0.33385
+C          C       0.27304   0.55393   0.45766
+H          H       0.29835   0.52988   0.45441
+H          H       0.24082   0.53871   0.36002
+H          H       0.24868   0.54467   0.56945
+H          H       0.89939   0.51958   0.30565
+H          H       0.60581   0.08562   0.31807
+H          H       0.48088   0.39523   0.31848
+C          C       0.36830   0.63817   0.95148
+C          C       0.36183   0.73013   0.95148
+C          C       0.26987   0.63170   0.95148
+C          C       0.40401   0.60825   0.98157
+C          C       0.39175   0.79576   0.98157
+C          C       0.20424   0.59599   0.98157
+C          C       0.39006   0.57164   0.59650
+C          C       0.42836   0.81842   0.59650
+C          C       0.18158   0.60994   0.59650
+C          C       0.41909   0.53922   0.62169
+C          C       0.46078   0.87987   0.62169
+C          C       0.12013   0.58091   0.62169
+C          C       0.46568   0.54573   0.53676
+C          C       0.45427   0.91995   0.53676
+C          C       0.08005   0.53432   0.53676
+C          C       0.48083   0.58350   0.92461
+C          C       0.41650   0.89733   0.92461
+C          C       0.10267   0.51917   0.92461
+C          C       0.44963   0.61345   0.89560
+C          C       0.38655   0.83618   0.89560
+C          C       0.16382   0.55037   0.89560
+N          N       0.49870   0.51522   0.55929
+N          N       0.48478   0.98348   0.55929
+N          N       0.01652   0.50130   0.55929
+C          C       0.49049   0.47742   0.65514
+C          C       0.52258   0.01307   0.65514
+C          C       0.98693   0.50951   0.65514
+C          C       0.52812   0.44938   0.66333
+C          C       0.55062   0.07874   0.66333
+C          C       0.92126   0.47188   0.66333
+C          C       0.51467   0.40435   0.75921
+C          C       0.59565   0.11032   0.75921
+C          C       0.88968   0.48533   0.75921
+C          C       0.54882   0.37616   0.76644
+C          C       0.62384   0.17266   0.76644
+C          C       0.82734   0.45118   0.76644
+C          C       0.59750   0.39311   0.67893
+C          C       0.60689   0.20439   0.67893
+C          C       0.79561   0.40250   0.67893
+C          C       0.61148   0.43872   0.58417
+C          C       0.56128   0.17276   0.58417
+C          C       0.82724   0.38852   0.58417
+C          C       0.57699   0.46647   0.57600
+C          C       0.53353   0.11052   0.57600
+C          C       0.88948   0.42301   0.57600
+C          C       0.63296   0.36253   0.68429
+C          C       0.63747   0.27043   0.68429
+C          C       0.72957   0.36704   0.68429
+C          C       0.69568   0.39584   0.68459
+C          C       0.60416   0.29984   0.68459
+C          C       0.70016   0.30432   0.68459
+C          C       0.39675   0.70158   0.94657
+C          C       0.29842   0.69517   0.94657
+C          C       0.30483   0.60325   0.94657
+H          H       0.54804   0.19636   0.51434
+H          H       0.80364   0.35168   0.51434
+H          H       0.64832   0.45196   0.51434
+H          H       0.49904   0.08743   0.50072
+H          H       0.91257   0.41161   0.50072
+H          H       0.58839   0.50096   0.50072
+H          H       0.65849   0.19609   0.84127
+H          H       0.80391   0.46240   0.84127
+H          H       0.53760   0.34151   0.84127
+H          H       0.43317   0.78837   0.66507
+H          H       0.21163   0.64480   0.66507
+H          H       0.35520   0.56683   0.66507
+H          H       0.48983   0.89491   0.70870
+H          H       0.10509   0.59492   0.70870
+H          H       0.40508   0.51017   0.70870
+H          H       0.41154   0.92755   0.85695
+H          H       0.07245   0.48399   0.85695
+H          H       0.51601   0.58846   0.85695
+H          H       0.36091   0.82121   0.80353
+H          H       0.17879   0.53970   0.80353
+H          H       0.46030   0.63909   0.80353
+H          H       0.53513   0.99068   0.72940
+H          H       0.00932   0.54445   0.72940
+H          H       0.45555   0.46487   0.72940
+H          H       0.72611   0.28185   0.68316
+H          H       0.71815   0.44426   0.68316
+H          H       0.55574   0.27389   0.68316
+C          C       0.26508   0.72119   0.93967
+H          H       0.29444   0.77024   0.93667
+H          H       0.23588   0.70856   0.04345
+H          H       0.23729   0.70635   0.83315
+C          C       0.44914   0.73234   0.94035
+H          H       0.47014   0.70415   0.93723
+H          H       0.46503   0.76159   0.04415
+H          H       0.46133   0.76009   0.83385
+C          C       0.27304   0.55393   0.95766
+H          H       0.29835   0.52988   0.95441
+H          H       0.24082   0.53871   0.86002
+H          H       0.24868   0.54467   0.06945
+H          H       0.89939   0.51958   0.80565
+H          H       0.60581   0.08562   0.81807
+H          H       0.48088   0.39523   0.81848
diff --git a/tests/test_files/HKUST_floating.cif b/tests/test_files/HKUST_floating.cif
index c6cf878..456931f 100644
--- a/tests/test_files/HKUST_floating.cif
+++ b/tests/test_files/HKUST_floating.cif
@@ -8,8 +8,8 @@ _cell_angle_alpha   90.00000000
 _cell_angle_beta   90.00000000
 _cell_angle_gamma   90.00000000
 _symmetry_Int_Tables_number   1
-_chemical_formula_structural   Cu48H96C288HeO192
-_chemical_formula_sum   'Cu48 H96 C288 He1 O192'
+_chemical_formula_structural   Cu48H96C288HO192
+_chemical_formula_sum   'Cu48 H96 C288 H1 O192'
 _cell_volume   18280.82097561
 _cell_formula_units_Z   1
 loop_
@@ -456,7 +456,7 @@ loop_
   C  C429  1  0.30100000  0.86600000  0.86600000  1.0
   C  C430  1  0.69900000  0.13500000  0.86600000  1.0
   C  C431  1  0.69900000  0.86600000  0.13500000  1.0
-  He  He432  1  0.50000000  0.50000000  0.50000000  1.0
+  H  H432  1  0.50000000  0.50000000  0.50000000  1.0
   O  O433  1  0.31700000  0.24300000  0.94800000  1.0
   O  O434  1  0.75700000  0.31700000  0.94800000  1.0
   O  O435  1  0.68300000  0.75700000  0.94800000  1.0
diff --git a/tests/test_files/ZIF-3.cif b/tests/test_files/ZIF-3.cif
new file mode 100644
index 0000000..7ce1dcc
--- /dev/null
+++ b/tests/test_files/ZIF-3.cif
@@ -0,0 +1,66 @@
+#======================================================================
+
+# CRYSTAL DATA
+
+#----------------------------------------------------------------------
+
+data_VESTA_phase_1
+
+
+_chemical_name_common                  'ZIF-3'
+_cell_length_a                         18.97010
+_cell_length_b                         18.97010
+_cell_length_c                         16.74000
+_cell_angle_alpha                      90
+_cell_angle_beta                       90
+_cell_angle_gamma                      90
+_space_group_name_H-M_alt              'P 42/m n m'
+_space_group_IT_number                 136
+
+loop_
+_space_group_symop_operation_xyz
+   'x, y, z'
+   '-x, -y, -z'
+   '-x, -y, z'
+   'x, y, -z'
+   '-y+1/2, x+1/2, z+1/2'
+   'y+1/2, -x+1/2, -z+1/2'
+   'y+1/2, -x+1/2, z+1/2'
+   '-y+1/2, x+1/2, -z+1/2'
+   '-x+1/2, y+1/2, -z+1/2'
+   'x+1/2, -y+1/2, z+1/2'
+   'x+1/2, -y+1/2, -z+1/2'
+   '-x+1/2, y+1/2, z+1/2'
+   'y, x, -z'
+   '-y, -x, z'
+   '-y, -x, -z'
+   'y, x, z'
+
+loop_
+   _atom_site_label
+   _atom_site_occupancy
+   _atom_site_fract_x
+   _atom_site_fract_y
+   _atom_site_fract_z
+   _atom_site_adp_type
+   _atom_site_B_iso_or_equiv
+   _atom_site_type_symbol
+   Zn1        1.0     0.105490      0.326640      0.179240     Biso  1.000000 Zn
+   C1         1.0     0.210700      0.210700      0.172700     Biso  1.000000 C
+   H1         1.0     0.233200      0.233200      0.130500     Biso  1.000000 H
+   C2         1.0     0.139800      0.190800      0.265600     Biso  1.000000 C
+   H2         1.0     0.102700      0.194200      0.301800     Biso  1.000000 H
+   C3         1.0     0.138200      0.467400      0.250500     Biso  1.000000 C
+   H3         1.0     0.104700      0.489400      0.218400     Biso  1.000000 H
+   C4         1.0     0.199200      0.390700      0.306600     Biso  1.000000 C
+   H4         1.0     0.218000      0.347500      0.322100     Biso  1.000000 H
+   C5         1.0     0.181200      0.391200      0.042200     Biso  1.000000 C
+   H5         1.0     0.212500      0.415500      0.074800     Biso  1.000000 H
+   C6         1.0     0.097100      0.328900      0.000000     Biso  1.000000 C
+   H6         1.0     0.056700      0.301100      0.000000     Biso  1.000000 H
+   C7         1.0     0.217300      0.452700      0.337700     Biso  1.000000 C
+   H7         1.0     0.250800      0.460400      0.377300     Biso  1.000000 H
+   N1         1.0     0.152200      0.235400      0.204400     Biso  1.000000 N
+   N2         1.0     0.149200      0.399400      0.248800     Biso  1.000000 N
+   N3         1.0     0.128000      0.350100      0.067100     Biso  1.000000 N
+   N4         1.0     0.002100      0.322100      0.199200     Biso  1.000000 N
diff --git a/tests/test_files/ZIF-4.cif b/tests/test_files/ZIF-4.cif
new file mode 100644
index 0000000..c923f69
--- /dev/null
+++ b/tests/test_files/ZIF-4.cif
@@ -0,0 +1,309 @@
+data_ZIF-4
+
+_audit_creation_method RASPA-1.0
+_audit_creation_date 2011-3-5
+_audit_author_name 'David Dubbeldam'
+
+_citation_author_name        'K.S. Park, Z. Ni, A.P. Cote, J.Y. Choi, R.D. Huang, F.J. Uribe-Romo, H.K. Chae, M. O’Keeffe, and O.M. Yaghi'
+_citation_title              'Exceptional chemical and thermal stability of zeolitic imidazolate frameworks'
+_citation_journal_abbrev     'P. Natl. Acad. Sci. USA'
+_citation_journal_volume     103
+_citation_journal_number     27
+_citation_page_first         10186
+_citation_page_last          10191
+_citation_year               2006
+
+_cell_length_a    15.395
+_cell_length_b    15.3073
+_cell_length_c    18.426
+_cell_angle_alpha 90
+_cell_angle_beta  90
+_cell_angle_gamma 90
+_cell_volume      4342.2
+
+_symmetry_cell_setting          orthorhombic
+_symmetry_space_group_name_Hall 'P 1'
+_symmetry_space_group_name_H-M  'P 1'
+_symmetry_Int_Tables_number     1
+
+_symmetry_equiv_pos_as_xyz 'x,y,z'
+
+loop_
+_atom_site_label
+_atom_site_type_symbol
+_atom_site_fract_x
+_atom_site_fract_y
+_atom_site_fract_z
+_atom_site_charge
+C1       C      0.85769    0.7339     0.86019    0
+H1       H      0.8219     0.7801     0.8448     0
+C2       C      0.8991     0.6132     0.90571    0
+H2       H      0.8993     0.558      0.928      0
+C3       C      0.9708     0.6582     0.8837     0
+H3       H      0.0287     0.6395     0.8881     0
+C5       C      0.6911     0.5137     0.783      0
+H5       H      0.7391     0.5374     0.7583     0
+C6       C      0.6198     0.8224     0.89068    0
+H6       H      0.6372     0.8454     0.9357     0
+C7       C      0.59815    0.73721    0.80184    0
+H7       H      0.5977     0.687      0.7724     0
+C8       C      0.1059     0.84601    0.9536     0
+H8       H      0.064      0.8108     0.9764     0
+C10      C      0.076      0.8659     0.66094    0
+H10      H      0.0578     0.9245     0.6579     0
+C11      C      0.90531    0.98711    0.86161    0
+H11      H      0.9381     0.99       0.9046     0
+C12      C      0.8628     0.9499     0.7571     0
+H12      H      0.8579     0.9223     0.7117     0
+C4A      C      0.7275     0.5951     0.0703     0
+H4A      H      0.785      0.575      0.0661     0
+C9A      C      0.183      0.8976     0.8675     0
+H9A      H      0.2038     0.9106     0.8208     0
+N1       N      0.82702    0.66148    0.8901     0
+N2       N      0.94376    0.73514    0.85396    0
+N3       N      0.67417    0.62256    0.01153    0
+N4       N      0.6637     0.53685    0.85008    0
+N5       N      0.6349     0.73928    0.86682    0
+N6       N      0.10088    0.86758    0.88468    0
+N7       N      0.06206    0.81197    0.71808    0
+N8       N      0.92445    0.93287    0.80772    0
+Zn1      Zn     0.70215    0.63949    0.908302   0
+Zn2      Zn     0.009635   0.83602    0.813743   0
+C1       C      0.64231    0.2661     0.36019    0
+H1       H      0.6781     0.2199     0.3448     0
+C2       C      0.6009     0.3868     0.40571    0
+H2       H      0.6007     0.442      0.428      0
+C3       C      0.5292     0.3418     0.3837     0
+H3       H      0.4713     0.3605     0.3881     0
+C5       C      0.8089     0.4863     0.283      0
+H5       H      0.7609     0.4626     0.2583     0
+C6       C      0.8802     0.1776     0.39068    0
+H6       H      0.8628     0.1546     0.4357     0
+C7       C      0.90185    0.26279    0.30184    0
+H7       H      0.9023     0.313      0.2724     0
+C8       C      0.3941     0.15399    0.4536     0
+H8       H      0.436      0.1892     0.4764     0
+C10      C      0.424      0.1341     0.16094    0
+H10      H      0.4422     0.0755     0.1579     0
+C11      C      0.59469    0.01289    0.36161    0
+H11      H      0.5619     0.01       0.4046     0
+C12      C      0.6372     0.0501     0.2571     0
+H12      H      0.6421     0.0777     0.2117     0
+C9B      C      0.3349     0.0677     0.3788     0
+H9B      H      0.3236     0.0338     0.3373     0
+C4B      C      0.792      0.4381     0.557      0
+H4B      H      0.7468     0.4772     0.546      0
+N1       N      0.67298    0.33852    0.3901     0
+N2       N      0.55624    0.26486    0.35396    0
+N3       N      0.82583    0.37744    0.51153    0
+N4       N      0.8363     0.46315    0.35008    0
+N5       N      0.8651     0.26072    0.36682    0
+N6       N      0.39912    0.13242    0.38468    0
+N7       N      0.43794    0.18803    0.21808    0
+N8       N      0.57555    0.06713    0.30772    0
+Zn1      Zn     0.79785    0.36051    0.408302   0
+Zn2      Zn     0.490365   0.16398    0.313743   0
+C1       C      0.35769    0.7661     0.13981    0
+H1       H      0.3219     0.7199     0.1552     0
+C2       C      0.3991     0.8868     0.09429    0
+H2       H      0.3993     0.942      0.072      0
+C3       C      0.4708     0.8418     0.1163     0
+H3       H      0.5287     0.8605     0.1119     0
+C5       C      0.1911     0.9863     0.217      0
+H5       H      0.2391     0.9626     0.2417     0
+C6       C      0.1198     0.6776     0.10932    0
+H6       H      0.1372     0.6546     0.0643     0
+C7       C      0.09815    0.76279    0.19816    0
+H7       H      0.0977     0.813      0.2276     0
+C8       C      0.6059     0.65399    0.0464     0
+H8       H      0.564      0.6892     0.0236     0
+C10      C      0.576      0.6341     0.33906    0
+H10      H      0.5578     0.5755     0.3421     0
+C11      C      0.40531    0.51289    0.13839    0
+H11      H      0.4381     0.51       0.0954     0
+C12      C      0.3628     0.5501     0.2429     0
+H12      H      0.3579     0.5777     0.2883     0
+C4A      C      0.2275     0.9049     0.9297     0
+H4A      H      0.285      0.925      0.9339     0
+C9A      C      0.683      0.6024     0.1325     0
+H9A      H      0.7038     0.5894     0.1792     0
+N1       N      0.32702    0.83852    0.1099     0
+N2       N      0.44376    0.76486    0.14604    0
+N3       N      0.17417    0.87744    0.98847    0
+N4       N      0.1637     0.96315    0.14992    0
+N5       N      0.1349     0.76072    0.13318    0
+N6       N      0.60088    0.63242    0.11532    0
+N7       N      0.56206    0.68803    0.28192    0
+N8       N      0.42445    0.56713    0.19228    0
+Zn1      Zn     0.20215    0.86051    0.091698   0
+Zn2      Zn     0.509635   0.66398    0.186257   0
+C1       C      0.14231    0.2339     0.63981    0
+H1       H      0.1781     0.2801     0.6552     0
+C2       C      0.1009     0.1132     0.59429    0
+H2       H      0.1007     0.058      0.572      0
+C3       C      0.0292     0.1582     0.6163     0
+H3       H      0.9713     0.1395     0.6119     0
+C5       C      0.3089     0.0137     0.717      0
+H5       H      0.2609     0.0374     0.7417     0
+C6       C      0.3802     0.3224     0.60932    0
+H6       H      0.3628     0.3454     0.5643     0
+C7       C      0.40185    0.23721    0.69816    0
+H7       H      0.4023     0.187      0.7276     0
+C8       C      0.8941     0.34601    0.5464     0
+H8       H      0.936      0.3108     0.5236     0
+C10      C      0.924      0.3659     0.83906    0
+H10      H      0.9422     0.4245     0.8421     0
+C11      C      0.09469    0.48711    0.63839    0
+H11      H      0.0619     0.49       0.5954     0
+C12      C      0.1372     0.4499     0.7429     0
+H12      H      0.1421     0.4223     0.7883     0
+C9B      C      0.8349     0.4323     0.6212     0
+H9B      H      0.8236     0.4662     0.6627     0
+C4B      C      0.292      0.0619     0.443      0
+H4B      H      0.2468     0.0228     0.454      0
+N1       N      0.17298    0.16148    0.6099     0
+N2       N      0.05624    0.23514    0.64604    0
+N3       N      0.32583    0.12256    0.48847    0
+N4       N      0.3363     0.03685    0.64992    0
+N5       N      0.3651     0.23928    0.63318    0
+N6       N      0.89912    0.36758    0.61532    0
+N7       N      0.93794    0.31197    0.78192    0
+N8       N      0.07555    0.43287    0.69228    0
+Zn1      Zn     0.29785    0.13949    0.591698   0
+Zn2      Zn     0.990365   0.33602    0.686257   0
+C1       C      0.14231    0.2661     0.13981    0
+H1       H      0.1781     0.2199     0.1552     0
+C2       C      0.1009     0.3868     0.09429    0
+H2       H      0.1007     0.442      0.072      0
+C3       C      0.0292     0.3418     0.1163     0
+H3       H      0.9713     0.3605     0.1119     0
+C5       C      0.3089     0.4863     0.217      0
+H5       H      0.2609     0.4626     0.2417     0
+C6       C      0.3802     0.1776     0.10932    0
+H6       H      0.3628     0.1546     0.0643     0
+C7       C      0.40185    0.26279    0.19816    0
+H7       H      0.4023     0.313      0.2276     0
+C8       C      0.8941     0.15399    0.0464     0
+H8       H      0.936      0.1892     0.0236     0
+C10      C      0.924      0.1341     0.33906    0
+H10      H      0.9422     0.0755     0.3421     0
+C11      C      0.09469    0.01289    0.13839    0
+H11      H      0.0619     0.01       0.0954     0
+C12      C      0.1372     0.0501     0.2429     0
+H12      H      0.1421     0.0777     0.2883     0
+C4A      C      0.2725     0.4049     0.9297     0
+H4A      H      0.215      0.425      0.9339     0
+C9A      C      0.817      0.1024     0.1325     0
+H9A      H      0.7962     0.0894     0.1792     0
+N1       N      0.17298    0.33852    0.1099     0
+N2       N      0.05624    0.26486    0.14604    0
+N3       N      0.32583    0.37744    0.98847    0
+N4       N      0.3363     0.46315    0.14992    0
+N5       N      0.3651     0.26072    0.13318    0
+N6       N      0.89912    0.13242    0.11532    0
+N7       N      0.93794    0.18803    0.28192    0
+N8       N      0.07555    0.06713    0.19228    0
+Zn1      Zn     0.29785    0.36051    0.091698   0
+Zn2      Zn     0.990365   0.16398    0.186257   0
+C1       C      0.35769    0.7339     0.63981    0
+H1       H      0.3219     0.7801     0.6552     0
+C2       C      0.3991     0.6132     0.59429    0
+H2       H      0.3993     0.558      0.572      0
+C3       C      0.4708     0.6582     0.6163     0
+H3       H      0.5287     0.6395     0.6119     0
+C5       C      0.1911     0.5137     0.717      0
+H5       H      0.2391     0.5374     0.7417     0
+C6       C      0.1198     0.8224     0.60932    0
+H6       H      0.1372     0.8454     0.5643     0
+C7       C      0.09815    0.73721    0.69816    0
+H7       H      0.0977     0.687      0.7276     0
+C8       C      0.6059     0.84601    0.5464     0
+H8       H      0.564      0.8108     0.5236     0
+C10      C      0.576      0.8659     0.83906    0
+H10      H      0.5578     0.9245     0.8421     0
+C11      C      0.40531    0.98711    0.63839    0
+H11      H      0.4381     0.99       0.5954     0
+C12      C      0.3628     0.9499     0.7429     0
+H12      H      0.3579     0.9223     0.7883     0
+C9B      C      0.6651     0.9323     0.6212     0
+H9B      H      0.6764     0.9662     0.6627     0
+C4B      C      0.208      0.5619     0.443      0
+H4B      H      0.2532     0.5228     0.454      0
+N1       N      0.32702    0.66148    0.6099     0
+N2       N      0.44376    0.73514    0.64604    0
+N3       N      0.17417    0.62256    0.48847    0
+N4       N      0.1637     0.53685    0.64992    0
+N5       N      0.1349     0.73928    0.63318    0
+N6       N      0.60088    0.86758    0.61532    0
+N7       N      0.56206    0.81197    0.78192    0
+N8       N      0.42445    0.93287    0.69228    0
+Zn1      Zn     0.20215    0.63949    0.591698   0
+Zn2      Zn     0.509635   0.83602    0.686257   0
+C1       C      0.64231    0.2339     0.86019    0
+H1       H      0.6781     0.2801     0.8448     0
+C2       C      0.6009     0.1132     0.90571    0
+H2       H      0.6007     0.058      0.928      0
+C3       C      0.5292     0.1582     0.8837     0
+H3       H      0.4713     0.1395     0.8881     0
+C5       C      0.8089     0.0137     0.783      0
+H5       H      0.7609     0.0374     0.7583     0
+C6       C      0.8802     0.3224     0.89068    0
+H6       H      0.8628     0.3454     0.9357     0
+C7       C      0.90185    0.23721    0.80184    0
+H7       H      0.9023     0.187      0.7724     0
+C8       C      0.3941     0.34601    0.9536     0
+H8       H      0.436      0.3108     0.9764     0
+C10      C      0.424      0.3659     0.66094    0
+H10      H      0.4422     0.4245     0.6579     0
+C11      C      0.59469    0.48711    0.86161    0
+H11      H      0.5619     0.49       0.9046     0
+C12      C      0.6372     0.4499     0.7571     0
+H12      H      0.6421     0.4223     0.7117     0
+C4A      C      0.7725     0.0951     0.0703     0
+H4A      H      0.715      0.075      0.0661     0
+C9A      C      0.317      0.3976     0.8675     0
+H9A      H      0.2962     0.4106     0.8208     0
+N1       N      0.67298    0.16148    0.8901     0
+N2       N      0.55624    0.23514    0.85396    0
+N3       N      0.82583    0.12256    0.01153    0
+N4       N      0.8363     0.03685    0.85008    0
+N5       N      0.8651     0.23928    0.86682    0
+N6       N      0.39912    0.36758    0.88468    0
+N7       N      0.43794    0.31197    0.71808    0
+N8       N      0.57555    0.43287    0.80772    0
+Zn1      Zn     0.79785    0.13949    0.908302   0
+Zn2      Zn     0.490365   0.33602    0.813743   0
+C1       C      0.85769    0.7661     0.36019    0
+H1       H      0.8219     0.7199     0.3448     0
+C2       C      0.8991     0.8868     0.40571    0
+H2       H      0.8993     0.942      0.428      0
+C3       C      0.9708     0.8418     0.3837     0
+H3       H      0.0287     0.8605     0.3881     0
+C5       C      0.6911     0.9863     0.283      0
+H5       H      0.7391     0.9626     0.2583     0
+C6       C      0.6198     0.6776     0.39068    0
+H6       H      0.6372     0.6546     0.4357     0
+C7       C      0.59815    0.76279    0.30184    0
+H7       H      0.5977     0.813      0.2724     0
+C8       C      0.1059     0.65399    0.4536     0
+H8       H      0.064      0.6892     0.4764     0
+C10      C      0.076      0.6341     0.16094    0
+H10      H      0.0578     0.5755     0.1579     0
+C11      C      0.90531    0.51289    0.36161    0
+H11      H      0.9381     0.51       0.4046     0
+C12      C      0.8628     0.5501     0.2571     0
+H12      H      0.8579     0.5777     0.2117     0
+C9B      C      0.1651     0.5677     0.3788     0
+H9B      H      0.1764     0.5338     0.3373     0
+C4B      C      0.708      0.9381     0.557      0
+H4B      H      0.7532     0.9772     0.546      0
+N1       N      0.82702    0.83852    0.3901     0
+N2       N      0.94376    0.76486    0.35396    0
+N3       N      0.67417    0.87744    0.51153    0
+N4       N      0.6637     0.96315    0.35008    0
+N5       N      0.6349     0.76072    0.36682    0
+N6       N      0.10088    0.63242    0.38468    0
+N7       N      0.06206    0.68803    0.21808    0
+N8       N      0.92445    0.56713    0.30772    0
+Zn1      Zn     0.70215    0.86051    0.408302   0
+Zn2      Zn     0.009635   0.66398    0.313743   0
diff --git a/tests/test_files/false_terminal_oxo_ca.cif b/tests/test_files/false_terminal_oxo_ca.cif
new file mode 100644
index 0000000..f708d1c
--- /dev/null
+++ b/tests/test_files/false_terminal_oxo_ca.cif
@@ -0,0 +1,138 @@
+data_image0
+_chemical_formula_structural       Ca5BaCa2H16C48S8O33
+_chemical_formula_sum              "Ca7 Ba1 H16 C48 S8 O33"
+_cell_length_a       10.0704
+_cell_length_b       14.2521
+_cell_length_c       17.5644
+_cell_angle_alpha    90
+_cell_angle_beta     94.281
+_cell_angle_gamma    90
+
+_space_group_name_H-M_alt    "P 1"
+_space_group_IT_number       1
+
+loop_
+  _space_group_symop_operation_xyz
+  'x, y, z'
+
+loop_
+  _atom_site_type_symbol
+  _atom_site_label
+  _atom_site_symmetry_multiplicity
+  _atom_site_fract_x
+  _atom_site_fract_y
+  _atom_site_fract_z
+  _atom_site_occupancy
+  Ca  Ca1       1.0  0.52837  0.10559  0.55831  1.0000
+  Ca  Ca2       1.0  0.40828  0.34702  0.53009  1.0000
+  Ca  Ca3       1.0  0.97163  0.60559  0.94169  1.0000
+  Ca  Ca4       1.0  0.09172  0.84702  0.96991  1.0000
+  Ca  Ca5       1.0  0.47163  0.89441  0.44169  1.0000
+  Ba  Ba1       1.0  0.59172  0.65298  0.46991  1.0000
+  Ca  Ca6       1.0  0.02837  0.39441  0.05831  1.0000
+  Ca  Ca7       1.0  0.90828  0.15298  0.03009  1.0000
+  H   H1        1.0  0.11810  0.24950  0.86730  1.0000
+  H   H2        1.0  0.19340  0.30750  0.74690  1.0000
+  H   H3        1.0  0.26740  0.00940  0.30570  1.0000
+  H   H4        1.0  0.14270  0.07030  0.19180  1.0000
+  H   H5        1.0  0.38190  0.74950  0.63270  1.0000
+  H   H6        1.0  0.30660  0.80750  0.75310  1.0000
+  H   H7        1.0  0.23260  0.50940  0.19430  1.0000
+  H   H8        1.0  0.35730  0.57030  0.30820  1.0000
+  H   H9        1.0  0.88190  0.75050  0.13270  1.0000
+  H   H10       1.0  0.80660  0.69250  0.25310  1.0000
+  H   H11       1.0  0.73260  0.99060  0.69430  1.0000
+  H   H12       1.0  0.85730  0.92970  0.80820  1.0000
+  H   H13       1.0  0.61810  0.25050  0.36730  1.0000
+  H   H14       1.0  0.69340  0.19250  0.24690  1.0000
+  H   H15       1.0  0.76740  0.49060  0.80570  1.0000
+  H   H16       1.0  0.64270  0.42970  0.69180  1.0000
+  C   C1        1.0  0.31480  0.14308  0.33975  1.0000
+  C   C2        1.0  0.39050  0.13302  0.41410  1.0000
+  C   C3        1.0  0.19140  0.20360  0.22468  1.0000
+  C   C4        1.0  0.13240  0.26670  0.16487  1.0000
+  C   C5        1.0  0.21680  0.17410  0.71116  1.0000
+  C   C6        1.0  0.14070  0.21060  0.82770  1.0000
+  C   C7        1.0  0.13380  0.11580  0.83039  1.0000
+  C   C8        1.0  0.18580  0.24420  0.75860  1.0000
+  C   C9        1.0  0.25890  0.07290  0.29429  1.0000
+  C   C10       1.0  0.18750  0.10800  0.22855  1.0000
+  C   C11       1.0  0.09070  0.05580  0.89355  1.0000
+  C   C12       1.0  0.27670  0.18250  0.63629  1.0000
+  C   C13       1.0  0.18520  0.64308  0.16025  1.0000
+  C   C14       1.0  0.10950  0.63302  0.08590  1.0000
+  C   C15       1.0  0.30860  0.70360  0.27532  1.0000
+  C   C16       1.0  0.36760  0.76670  0.33513  1.0000
+  C   C17       1.0  0.28320  0.67410  0.78884  1.0000
+  C   C18       1.0  0.35930  0.71060  0.67230  1.0000
+  C   C19       1.0  0.36620  0.61580  0.66961  1.0000
+  C   C20       1.0  0.31420  0.74420  0.74140  1.0000
+  C   C21       1.0  0.24110  0.57290  0.20571  1.0000
+  C   C22       1.0  0.31250  0.60800  0.27145  1.0000
+  C   C23       1.0  0.40930  0.55580  0.60645  1.0000
+  C   C24       1.0  0.22330  0.68250  0.86371  1.0000
+  C   C25       1.0  0.68520  0.85692  0.66025  1.0000
+  C   C26       1.0  0.60950  0.86698  0.58590  1.0000
+  C   C27       1.0  0.80860  0.79640  0.77532  1.0000
+  C   C28       1.0  0.86760  0.73330  0.83513  1.0000
+  C   C29       1.0  0.78320  0.82590  0.28884  1.0000
+  C   C30       1.0  0.85930  0.78940  0.17230  1.0000
+  C   C31       1.0  0.86620  0.88420  0.16961  1.0000
+  C   C32       1.0  0.81420  0.75580  0.24140  1.0000
+  C   C33       1.0  0.74110  0.92710  0.70571  1.0000
+  C   C34       1.0  0.81250  0.89200  0.77145  1.0000
+  C   C35       1.0  0.90930  0.94420  0.10645  1.0000
+  C   C36       1.0  0.72330  0.81750  0.36371  1.0000
+  C   C37       1.0  0.81480  0.35692  0.83975  1.0000
+  C   C38       1.0  0.89050  0.36698  0.91410  1.0000
+  C   C39       1.0  0.69140  0.29640  0.72468  1.0000
+  C   C40       1.0  0.63240  0.23330  0.66487  1.0000
+  C   C41       1.0  0.71680  0.32590  0.21116  1.0000
+  C   C42       1.0  0.64070  0.28940  0.32770  1.0000
+  C   C43       1.0  0.63380  0.38420  0.33039  1.0000
+  C   C44       1.0  0.68580  0.25580  0.25860  1.0000
+  C   C45       1.0  0.75890  0.42710  0.79429  1.0000
+  C   C46       1.0  0.68750  0.39200  0.72855  1.0000
+  C   C47       1.0  0.59070  0.44420  0.39355  1.0000
+  C   C48       1.0  0.77670  0.31750  0.13629  1.0000
+  S   S1        1.0  0.28004  0.25166  0.30208  1.0000
+  S   S2        1.0  0.18623  0.06599  0.74929  1.0000
+  S   S3        1.0  0.21996  0.75166  0.19792  1.0000
+  S   S4        1.0  0.31377  0.56599  0.75071  1.0000
+  S   S5        1.0  0.71996  0.74834  0.69792  1.0000
+  S   S6        1.0  0.81377  0.93401  0.25071  1.0000
+  S   S7        1.0  0.78004  0.24834  0.80208  1.0000
+  S   S8        1.0  0.68623  0.43401  0.24929  1.0000
+  O   O1        1.0  0.41570  0.20431  0.45473  1.0000
+  O   O2        1.0  0.42690  0.05209  0.43534  1.0000
+  O   O3        1.0  0.07470  0.23231  0.10502  1.0000
+  O   O4        1.0  0.05680  0.09607  0.95181  1.0000
+  O   O5        1.0  0.09650  0.96937  0.88455  1.0000
+  O   O6        1.0  0.32660  0.10932  0.61072  1.0000
+  O   O7        1.0  0.14300  0.35331  0.17565  1.0000
+  O   O8        1.0  0.27340  0.26155  0.60578  1.0000
+  O   O9        1.0  0.08430  0.70431  0.04527  1.0000
+  O   O10       1.0  0.07310  0.55209  0.06466  1.0000
+  O   O11       1.0  0.42530  0.73231  0.39498  1.0000
+  O   O12       1.0  0.44320  0.59607  0.54819  1.0000
+  O   O13       1.0  0.40350  0.46937  0.61545  1.0000
+  O   O14       1.0  0.17340  0.60932  0.88928  1.0000
+  O   O15       1.0  0.35700  0.85331  0.32435  1.0000
+  O   O16       1.0  0.22660  0.76155  0.89422  1.0000
+  O   O17       1.0  0.58430  0.79569  0.54527  1.0000
+  O   O18       1.0  0.57310  0.94791  0.56466  1.0000
+  O   O19       1.0  0.92530  0.76769  0.89498  1.0000
+  O   O20       1.0  0.94320  0.90393  0.04819  1.0000
+  O   O21       1.0  0.90350  0.03063  0.11545  1.0000
+  O   O22       1.0  0.67340  0.89068  0.38928  1.0000
+  O   O23       1.0  0.85700  0.64669  0.82435  1.0000
+  O   O24       1.0  0.72660  0.73845  0.39422  1.0000
+  O   O25       1.0  0.91570  0.29569  0.95473  1.0000
+  O   O26       1.0  0.92690  0.44791  0.93534  1.0000
+  O   O27       1.0  0.57470  0.26769  0.60502  1.0000
+  O   O28       1.0  0.55680  0.40393  0.45181  1.0000
+  O   O29       1.0  0.59650  0.53063  0.38455  1.0000
+  O   O30       1.0  0.82660  0.39068  0.11072  1.0000
+  O   O31       1.0  0.64300  0.14669  0.67565  1.0000
+  O   O32       1.0  0.77340  0.23845  0.10578  1.0000
+  O   O33       1.0  0.70311  0.61447  0.59412  1.0000
diff --git a/tests/test_files/floating_check.cif b/tests/test_files/floating_check.cif
new file mode 100644
index 0000000..26d60cd
--- /dev/null
+++ b/tests/test_files/floating_check.cif
@@ -0,0 +1,453 @@
+data_image0
+_cell_length_a       25.832
+_cell_length_b       25.832
+_cell_length_c       25.832
+_cell_angle_alpha    90
+_cell_angle_beta     90
+_cell_angle_gamma    90
+
+_symmetry_space_group_name_H-M    "P 1"
+_symmetry_int_tables_number       1
+
+loop_
+  _symmetry_equiv_pos_as_xyz
+  'x, y, z'
+
+loop_
+  _atom_site_label
+  _atom_site_occupancy
+  _atom_site_fract_x
+  _atom_site_fract_y
+  _atom_site_fract_z
+  _atom_site_thermal_displace_type
+  _atom_site_B_iso_or_equiv
+  _atom_site_type_symbol
+  O1       1.0000 0.13400  0.28190  0.21810  Biso   1.000  O
+  C1       1.0000 0.11130  0.25000  0.25000  Biso   1.000  C
+  C2       1.0000 0.05380  0.25000  0.25000  Biso   1.000  C
+  C3       1.0000 0.02690  0.28290  0.21710  Biso   1.000  C
+  H1       1.0000 0.04480  0.30490  0.19510  Biso   1.000  H
+  O2       1.0000 0.13400  0.71810  0.78190  Biso   1.000  O
+  C4       1.0000 0.11130  0.75000  0.75000  Biso   1.000  C
+  C5       1.0000 0.05380  0.75000  0.75000  Biso   1.000  C
+  C6       1.0000 0.02690  0.71710  0.78290  Biso   1.000  C
+  H2       1.0000 0.04480  0.69510  0.80490  Biso   1.000  H
+  O3       1.0000 0.13400  0.78190  0.71810  Biso   1.000  O
+  C7       1.0000 0.02690  0.78290  0.71710  Biso   1.000  C
+  H3       1.0000 0.04480  0.80490  0.69510  Biso   1.000  H
+  O4       1.0000 0.13400  0.21810  0.28190  Biso   1.000  O
+  C8       1.0000 0.02690  0.21710  0.28290  Biso   1.000  C
+  H4       1.0000 0.04480  0.19510  0.30490  Biso   1.000  H
+  Zn1      1.0000 0.20660  0.29340  0.20660  Biso   1.000  Zn
+  Zn2      1.0000 0.20660  0.70660  0.79340  Biso   1.000  Zn
+  Zn3      1.0000 0.20660  0.20660  0.29340  Biso   1.000  Zn
+  Zn4      1.0000 0.20660  0.79340  0.70660  Biso   1.000  Zn
+  O5       1.0000 0.21810  0.13400  0.28190  Biso   1.000  O
+  C9       1.0000 0.25000  0.11130  0.25000  Biso   1.000  C
+  C10      1.0000 0.25000  0.05380  0.25000  Biso   1.000  C
+  C11      1.0000 0.21710  0.02690  0.28290  Biso   1.000  C
+  H5       1.0000 0.19510  0.04480  0.30490  Biso   1.000  H
+  O6       1.0000 0.78190  0.13400  0.71810  Biso   1.000  O
+  C12      1.0000 0.75000  0.11130  0.75000  Biso   1.000  C
+  C13      1.0000 0.75000  0.05380  0.75000  Biso   1.000  C
+  C14      1.0000 0.78290  0.02690  0.71710  Biso   1.000  C
+  H6       1.0000 0.80490  0.04480  0.69510  Biso   1.000  H
+  O7       1.0000 0.28190  0.13400  0.21810  Biso   1.000  O
+  C15      1.0000 0.28290  0.02690  0.21710  Biso   1.000  C
+  H7       1.0000 0.30490  0.04480  0.19510  Biso   1.000  H
+  O8       1.0000 0.71810  0.13400  0.78190  Biso   1.000  O
+  C16      1.0000 0.71710  0.02690  0.78290  Biso   1.000  C
+  H8       1.0000 0.69510  0.04480  0.80490  Biso   1.000  H
+  Zn5      1.0000 0.29340  0.20660  0.20660  Biso   1.000  Zn
+  Zn6      1.0000 0.70660  0.20660  0.79340  Biso   1.000  Zn
+  Zn7      1.0000 0.79340  0.20660  0.70660  Biso   1.000  Zn
+  O9       1.0000 0.25000  0.25000  0.25000  Biso   1.000  O
+  O10      1.0000 0.28190  0.21810  0.13400  Biso   1.000  O
+  C17      1.0000 0.25000  0.25000  0.11130  Biso   1.000  C
+  C18      1.0000 0.25000  0.25000  0.05380  Biso   1.000  C
+  C19      1.0000 0.28290  0.21710  0.02690  Biso   1.000  C
+  H9       1.0000 0.30490  0.19510  0.04480  Biso   1.000  H
+  Zn8      1.0000 0.70660  0.79340  0.20660  Biso   1.000  Zn
+  O11      1.0000 0.75000  0.75000  0.25000  Biso   1.000  O
+  O12      1.0000 0.71810  0.78190  0.13400  Biso   1.000  O
+  C20      1.0000 0.75000  0.75000  0.11130  Biso   1.000  C
+  C21      1.0000 0.75000  0.75000  0.05380  Biso   1.000  C
+  C22      1.0000 0.71710  0.78290  0.02690  Biso   1.000  C
+  H10      1.0000 0.69510  0.80490  0.04480  Biso   1.000  H
+  O13      1.0000 0.75000  0.25000  0.75000  Biso   1.000  O
+  Zn9      1.0000 0.29340  0.79340  0.79340  Biso   1.000  Zn
+  O14      1.0000 0.25000  0.75000  0.75000  Biso   1.000  O
+  Zn10     1.0000 0.79340  0.70660  0.20660  Biso   1.000  Zn
+  Zn11     1.0000 0.79340  0.29340  0.79340  Biso   1.000  Zn
+  Zn12     1.0000 0.79340  0.79340  0.29340  Biso   1.000  Zn
+  Zn13     1.0000 0.20660  0.29340  0.79340  Biso   1.000  Zn
+  O15      1.0000 0.25000  0.25000  0.75000  Biso   1.000  O
+  Zn14     1.0000 0.79340  0.70660  0.79340  Biso   1.000  Zn
+  O16      1.0000 0.75000  0.75000  0.75000  Biso   1.000  O
+  Zn15     1.0000 0.20660  0.70660  0.20660  Biso   1.000  Zn
+  O17      1.0000 0.25000  0.75000  0.25000  Biso   1.000  O
+  O18      1.0000 0.21810  0.71810  0.13400  Biso   1.000  O
+  C23      1.0000 0.25000  0.75000  0.11130  Biso   1.000  C
+  C24      1.0000 0.25000  0.75000  0.05380  Biso   1.000  C
+  C25      1.0000 0.21710  0.71710  0.02690  Biso   1.000  C
+  H11      1.0000 0.19510  0.69510  0.04480  Biso   1.000  H
+  Zn16     1.0000 0.79340  0.29340  0.20660  Biso   1.000  Zn
+  O19      1.0000 0.75000  0.25000  0.25000  Biso   1.000  O
+  O20      1.0000 0.78190  0.28190  0.13400  Biso   1.000  O
+  C26      1.0000 0.75000  0.25000  0.11130  Biso   1.000  C
+  C27      1.0000 0.75000  0.25000  0.05380  Biso   1.000  C
+  C28      1.0000 0.78290  0.28290  0.02690  Biso   1.000  C
+  H12      1.0000 0.80490  0.30490  0.04480  Biso   1.000  H
+  Zn17     1.0000 0.29340  0.20660  0.79340  Biso   1.000  Zn
+  O21      1.0000 0.28190  0.13400  0.78190  Biso   1.000  O
+  C29      1.0000 0.25000  0.11130  0.75000  Biso   1.000  C
+  C30      1.0000 0.25000  0.05380  0.75000  Biso   1.000  C
+  C31      1.0000 0.28290  0.02690  0.78290  Biso   1.000  C
+  H13      1.0000 0.30490  0.04480  0.80490  Biso   1.000  H
+  Zn18     1.0000 0.70660  0.20660  0.20660  Biso   1.000  Zn
+  O22      1.0000 0.71810  0.13400  0.21810  Biso   1.000  O
+  C32      1.0000 0.75000  0.11130  0.25000  Biso   1.000  C
+  C33      1.0000 0.75000  0.05380  0.25000  Biso   1.000  C
+  C34      1.0000 0.71710  0.02690  0.21710  Biso   1.000  C
+  H14      1.0000 0.69510  0.04480  0.19510  Biso   1.000  H
+  Zn19     1.0000 0.70660  0.79340  0.79340  Biso   1.000  Zn
+  O23      1.0000 0.71810  0.86600  0.78190  Biso   1.000  O
+  C35      1.0000 0.75000  0.88870  0.75000  Biso   1.000  C
+  C36      1.0000 0.75000  0.94620  0.75000  Biso   1.000  C
+  C37      1.0000 0.71710  0.97310  0.78290  Biso   1.000  C
+  H15      1.0000 0.69510  0.95520  0.80490  Biso   1.000  H
+  Zn20     1.0000 0.29340  0.79340  0.20660  Biso   1.000  Zn
+  O24      1.0000 0.28190  0.86600  0.21810  Biso   1.000  O
+  C38      1.0000 0.25000  0.88870  0.25000  Biso   1.000  C
+  C39      1.0000 0.25000  0.94620  0.25000  Biso   1.000  C
+  C40      1.0000 0.28290  0.97310  0.21710  Biso   1.000  C
+  H16      1.0000 0.30490  0.95520  0.19510  Biso   1.000  H
+  Zn21     1.0000 0.20660  0.20660  0.70660  Biso   1.000  Zn
+  O25      1.0000 0.13400  0.21810  0.71810  Biso   1.000  O
+  C41      1.0000 0.11130  0.25000  0.75000  Biso   1.000  C
+  C42      1.0000 0.05380  0.25000  0.75000  Biso   1.000  C
+  C43      1.0000 0.02690  0.21710  0.71710  Biso   1.000  C
+  H17      1.0000 0.04480  0.19510  0.69510  Biso   1.000  H
+  Zn22     1.0000 0.20660  0.79340  0.29340  Biso   1.000  Zn
+  O26      1.0000 0.13400  0.78190  0.28190  Biso   1.000  O
+  C44      1.0000 0.11130  0.75000  0.25000  Biso   1.000  C
+  C45      1.0000 0.05380  0.75000  0.25000  Biso   1.000  C
+  C46      1.0000 0.02690  0.78290  0.28290  Biso   1.000  C
+  H18      1.0000 0.04480  0.80490  0.30490  Biso   1.000  H
+  Zn23     1.0000 0.79340  0.20660  0.29340  Biso   1.000  Zn
+  O27      1.0000 0.86600  0.21810  0.28190  Biso   1.000  O
+  C47      1.0000 0.88870  0.25000  0.25000  Biso   1.000  C
+  C48      1.0000 0.94620  0.25000  0.25000  Biso   1.000  C
+  C49      1.0000 0.97310  0.21710  0.28290  Biso   1.000  C
+  H19      1.0000 0.95520  0.19510  0.30490  Biso   1.000  H
+  Zn24     1.0000 0.79340  0.79340  0.70660  Biso   1.000  Zn
+  O28      1.0000 0.86600  0.78190  0.71810  Biso   1.000  O
+  C50      1.0000 0.88870  0.75000  0.75000  Biso   1.000  C
+  C51      1.0000 0.94620  0.75000  0.75000  Biso   1.000  C
+  C52      1.0000 0.97310  0.78290  0.71710  Biso   1.000  C
+  H20      1.0000 0.95520  0.80490  0.69510  Biso   1.000  H
+  O29      1.0000 0.28190  0.78190  0.13400  Biso   1.000  O
+  C53      1.0000 0.28290  0.78290  0.02690  Biso   1.000  C
+  H21      1.0000 0.30490  0.80490  0.04480  Biso   1.000  H
+  O30      1.0000 0.71810  0.21810  0.13400  Biso   1.000  O
+  C54      1.0000 0.71710  0.21710  0.02690  Biso   1.000  C
+  H22      1.0000 0.69510  0.19510  0.04480  Biso   1.000  H
+  O31      1.0000 0.86600  0.71810  0.78190  Biso   1.000  O
+  C55      1.0000 0.97310  0.71710  0.78290  Biso   1.000  C
+  H23      1.0000 0.95520  0.69510  0.80490  Biso   1.000  H
+  O32      1.0000 0.86600  0.28190  0.21810  Biso   1.000  O
+  C56      1.0000 0.97310  0.28290  0.21710  Biso   1.000  C
+  H24      1.0000 0.95520  0.30490  0.19510  Biso   1.000  H
+  O33      1.0000 0.13400  0.28190  0.78190  Biso   1.000  O
+  C57      1.0000 0.02690  0.28290  0.78290  Biso   1.000  C
+  H25      1.0000 0.04480  0.30490  0.80490  Biso   1.000  H
+  O34      1.0000 0.13400  0.71810  0.21810  Biso   1.000  O
+  C58      1.0000 0.02690  0.71710  0.21710  Biso   1.000  C
+  H26      1.0000 0.04480  0.69510  0.19510  Biso   1.000  H
+  O35      1.0000 0.78190  0.86600  0.71810  Biso   1.000  O
+  C59      1.0000 0.78290  0.97310  0.71710  Biso   1.000  C
+  H27      1.0000 0.80490  0.95520  0.69510  Biso   1.000  H
+  O36      1.0000 0.21810  0.86600  0.28190  Biso   1.000  O
+  C60      1.0000 0.21710  0.97310  0.28290  Biso   1.000  C
+  H28      1.0000 0.19510  0.95520  0.30490  Biso   1.000  H
+  O37      1.0000 0.78190  0.13400  0.28190  Biso   1.000  O
+  C61      1.0000 0.78290  0.02690  0.28290  Biso   1.000  C
+  H29      1.0000 0.80490  0.04480  0.30490  Biso   1.000  H
+  O38      1.0000 0.21810  0.13400  0.71810  Biso   1.000  O
+  C62      1.0000 0.21710  0.02690  0.71710  Biso   1.000  C
+  H30      1.0000 0.19510  0.04480  0.69510  Biso   1.000  H
+  O39      1.0000 0.78190  0.71810  0.13400  Biso   1.000  O
+  C63      1.0000 0.78290  0.71710  0.02690  Biso   1.000  C
+  H31      1.0000 0.80490  0.69510  0.04480  Biso   1.000  H
+  O40      1.0000 0.21810  0.28190  0.13400  Biso   1.000  O
+  C64      1.0000 0.21710  0.28290  0.02690  Biso   1.000  C
+  H32      1.0000 0.19510  0.30490  0.04480  Biso   1.000  H
+  Zn25     1.0000 0.29340  0.70660  0.70660  Biso   1.000  Zn
+  O41      1.0000 0.28190  0.71810  0.63400  Biso   1.000  O
+  C65      1.0000 0.25000  0.75000  0.61130  Biso   1.000  C
+  C66      1.0000 0.25000  0.75000  0.55380  Biso   1.000  C
+  C67      1.0000 0.28290  0.71710  0.52690  Biso   1.000  C
+  H33      1.0000 0.30490  0.69510  0.54480  Biso   1.000  H
+  Zn26     1.0000 0.70660  0.29340  0.70660  Biso   1.000  Zn
+  O42      1.0000 0.71810  0.28190  0.63400  Biso   1.000  O
+  C68      1.0000 0.75000  0.25000  0.61130  Biso   1.000  C
+  C69      1.0000 0.75000  0.25000  0.55380  Biso   1.000  C
+  C70      1.0000 0.71710  0.28290  0.52690  Biso   1.000  C
+  H34      1.0000 0.69510  0.30490  0.54480  Biso   1.000  H
+  Zn27     1.0000 0.70660  0.70660  0.29340  Biso   1.000  Zn
+  O43      1.0000 0.71810  0.71810  0.36600  Biso   1.000  O
+  C71      1.0000 0.75000  0.75000  0.38870  Biso   1.000  C
+  C72      1.0000 0.75000  0.75000  0.44620  Biso   1.000  C
+  C73      1.0000 0.71710  0.71710  0.47310  Biso   1.000  C
+  H35      1.0000 0.69510  0.69510  0.45520  Biso   1.000  H
+  Zn28     1.0000 0.29340  0.29340  0.29340  Biso   1.000  Zn
+  O44      1.0000 0.28190  0.28190  0.36600  Biso   1.000  O
+  C74      1.0000 0.25000  0.25000  0.38870  Biso   1.000  C
+  C75      1.0000 0.25000  0.25000  0.44620  Biso   1.000  C
+  C76      1.0000 0.28290  0.28290  0.47310  Biso   1.000  C
+  H36      1.0000 0.30490  0.30490  0.45520  Biso   1.000  H
+  O45      1.0000 0.21810  0.63400  0.78190  Biso   1.000  O
+  C77      1.0000 0.25000  0.61130  0.75000  Biso   1.000  C
+  C78      1.0000 0.25000  0.55380  0.75000  Biso   1.000  C
+  C79      1.0000 0.21710  0.52690  0.78290  Biso   1.000  C
+  H37      1.0000 0.19510  0.54480  0.80490  Biso   1.000  H
+  O46      1.0000 0.78190  0.63400  0.21810  Biso   1.000  O
+  C80      1.0000 0.75000  0.61130  0.25000  Biso   1.000  C
+  C81      1.0000 0.75000  0.55380  0.25000  Biso   1.000  C
+  C82      1.0000 0.78290  0.52690  0.21710  Biso   1.000  C
+  H38      1.0000 0.80490  0.54480  0.19510  Biso   1.000  H
+  O47      1.0000 0.21810  0.36600  0.21810  Biso   1.000  O
+  C83      1.0000 0.25000  0.38870  0.25000  Biso   1.000  C
+  C84      1.0000 0.25000  0.44620  0.25000  Biso   1.000  C
+  C85      1.0000 0.21710  0.47310  0.21710  Biso   1.000  C
+  H39      1.0000 0.19510  0.45520  0.19510  Biso   1.000  H
+  O48      1.0000 0.78190  0.36600  0.78190  Biso   1.000  O
+  C86      1.0000 0.75000  0.38870  0.75000  Biso   1.000  C
+  C87      1.0000 0.75000  0.44620  0.75000  Biso   1.000  C
+  C88      1.0000 0.78290  0.47310  0.78290  Biso   1.000  C
+  H40      1.0000 0.80490  0.45520  0.80490  Biso   1.000  H
+  O49      1.0000 0.21810  0.78190  0.36600  Biso   1.000  O
+  C89      1.0000 0.25000  0.75000  0.38870  Biso   1.000  C
+  C90      1.0000 0.25000  0.75000  0.44620  Biso   1.000  C
+  C91      1.0000 0.21710  0.78290  0.47310  Biso   1.000  C
+  H41      1.0000 0.19510  0.80490  0.45520  Biso   1.000  H
+  O50      1.0000 0.78190  0.21810  0.36600  Biso   1.000  O
+  C92      1.0000 0.75000  0.25000  0.38870  Biso   1.000  C
+  C93      1.0000 0.75000  0.25000  0.44620  Biso   1.000  C
+  C94      1.0000 0.78290  0.21710  0.47310  Biso   1.000  C
+  H42      1.0000 0.80490  0.19510  0.45520  Biso   1.000  H
+  O51      1.0000 0.21810  0.21810  0.63400  Biso   1.000  O
+  C95      1.0000 0.25000  0.25000  0.61130  Biso   1.000  C
+  C96      1.0000 0.25000  0.25000  0.55380  Biso   1.000  C
+  C97      1.0000 0.21710  0.21710  0.52690  Biso   1.000  C
+  H43      1.0000 0.19510  0.19510  0.54480  Biso   1.000  H
+  O52      1.0000 0.78190  0.78190  0.63400  Biso   1.000  O
+  C98      1.0000 0.75000  0.75000  0.61130  Biso   1.000  C
+  C99      1.0000 0.75000  0.75000  0.55380  Biso   1.000  C
+  C100     1.0000 0.78290  0.78290  0.52690  Biso   1.000  C
+  H44      1.0000 0.80490  0.80490  0.54480  Biso   1.000  H
+  Zn29     1.0000 0.29340  0.70660  0.29340  Biso   1.000  Zn
+  O53      1.0000 0.28190  0.63400  0.28190  Biso   1.000  O
+  C101     1.0000 0.25000  0.61130  0.25000  Biso   1.000  C
+  C102     1.0000 0.25000  0.55380  0.25000  Biso   1.000  C
+  C103     1.0000 0.28290  0.52690  0.28290  Biso   1.000  C
+  H45      1.0000 0.30490  0.54480  0.30490  Biso   1.000  H
+  Zn30     1.0000 0.70660  0.70660  0.70660  Biso   1.000  Zn
+  O54      1.0000 0.71810  0.63400  0.71810  Biso   1.000  O
+  C104     1.0000 0.75000  0.61130  0.75000  Biso   1.000  C
+  C105     1.0000 0.75000  0.55380  0.75000  Biso   1.000  C
+  C106     1.0000 0.71710  0.52690  0.71710  Biso   1.000  C
+  H46      1.0000 0.69510  0.54480  0.69510  Biso   1.000  H
+  Zn31     1.0000 0.70660  0.29340  0.29340  Biso   1.000  Zn
+  O55      1.0000 0.71810  0.36600  0.28190  Biso   1.000  O
+  C107     1.0000 0.75000  0.38870  0.25000  Biso   1.000  C
+  C108     1.0000 0.75000  0.44620  0.25000  Biso   1.000  C
+  C109     1.0000 0.71710  0.47310  0.28290  Biso   1.000  C
+  H47      1.0000 0.69510  0.45520  0.30490  Biso   1.000  H
+  Zn32     1.0000 0.29340  0.29340  0.70660  Biso   1.000  Zn
+  O56      1.0000 0.28190  0.36600  0.71810  Biso   1.000  O
+  C110     1.0000 0.25000  0.38870  0.75000  Biso   1.000  C
+  C111     1.0000 0.25000  0.44620  0.75000  Biso   1.000  C
+  C112     1.0000 0.28290  0.47310  0.71710  Biso   1.000  C
+  H48      1.0000 0.30490  0.45520  0.69510  Biso   1.000  H
+  O57      1.0000 0.71810  0.28190  0.36600  Biso   1.000  O
+  C113     1.0000 0.71710  0.28290  0.47310  Biso   1.000  C
+  H49      1.0000 0.69510  0.30490  0.45520  Biso   1.000  H
+  O58      1.0000 0.28190  0.71810  0.36600  Biso   1.000  O
+  C114     1.0000 0.28290  0.71710  0.47310  Biso   1.000  C
+  H50      1.0000 0.30490  0.69510  0.45520  Biso   1.000  H
+  O59      1.0000 0.28190  0.28190  0.63400  Biso   1.000  O
+  C115     1.0000 0.28290  0.28290  0.52690  Biso   1.000  C
+  H51      1.0000 0.30490  0.30490  0.54480  Biso   1.000  H
+  O60      1.0000 0.71810  0.71810  0.63400  Biso   1.000  O
+  C116     1.0000 0.71710  0.71710  0.52690  Biso   1.000  C
+  H52      1.0000 0.69510  0.69510  0.54480  Biso   1.000  H
+  O61      1.0000 0.78190  0.36600  0.21810  Biso   1.000  O
+  C117     1.0000 0.78290  0.47310  0.21710  Biso   1.000  C
+  H53      1.0000 0.80490  0.45520  0.19510  Biso   1.000  H
+  O62      1.0000 0.21810  0.36600  0.78190  Biso   1.000  O
+  C118     1.0000 0.21710  0.47310  0.78290  Biso   1.000  C
+  H54      1.0000 0.19510  0.45520  0.80490  Biso   1.000  H
+  O63      1.0000 0.78190  0.63400  0.78190  Biso   1.000  O
+  C119     1.0000 0.78290  0.52690  0.78290  Biso   1.000  C
+  H55      1.0000 0.80490  0.54480  0.80490  Biso   1.000  H
+  O64      1.0000 0.21810  0.63400  0.21810  Biso   1.000  O
+  C120     1.0000 0.21710  0.52690  0.21710  Biso   1.000  C
+  H56      1.0000 0.19510  0.54480  0.19510  Biso   1.000  H
+  O65      1.0000 0.78190  0.21810  0.63400  Biso   1.000  O
+  C121     1.0000 0.78290  0.21710  0.52690  Biso   1.000  C
+  H57      1.0000 0.80490  0.19510  0.54480  Biso   1.000  H
+  O66      1.0000 0.21810  0.78190  0.63400  Biso   1.000  O
+  C122     1.0000 0.21710  0.78290  0.52690  Biso   1.000  C
+  H58      1.0000 0.19510  0.80490  0.54480  Biso   1.000  H
+  O67      1.0000 0.78190  0.78190  0.36600  Biso   1.000  O
+  C123     1.0000 0.78290  0.78290  0.47310  Biso   1.000  C
+  H59      1.0000 0.80490  0.80490  0.45520  Biso   1.000  H
+  O68      1.0000 0.21810  0.21810  0.36600  Biso   1.000  O
+  C124     1.0000 0.21710  0.21710  0.47310  Biso   1.000  C
+  H60      1.0000 0.19510  0.19510  0.45520  Biso   1.000  H
+  O69      1.0000 0.71810  0.36600  0.71810  Biso   1.000  O
+  C125     1.0000 0.71710  0.47310  0.71710  Biso   1.000  C
+  H61      1.0000 0.69510  0.45520  0.69510  Biso   1.000  H
+  O70      1.0000 0.28190  0.36600  0.28190  Biso   1.000  O
+  C126     1.0000 0.28290  0.47310  0.28290  Biso   1.000  C
+  H62      1.0000 0.30490  0.45520  0.30490  Biso   1.000  H
+  O71      1.0000 0.28190  0.63400  0.71810  Biso   1.000  O
+  C127     1.0000 0.28290  0.52690  0.71710  Biso   1.000  C
+  H63      1.0000 0.30490  0.54480  0.69510  Biso   1.000  H
+  O72      1.0000 0.71810  0.63400  0.28190  Biso   1.000  O
+  C128     1.0000 0.71710  0.52690  0.28290  Biso   1.000  C
+  H64      1.0000 0.69510  0.54480  0.30490  Biso   1.000  H
+  O73      1.0000 0.63400  0.28190  0.71810  Biso   1.000  O
+  C129     1.0000 0.61130  0.25000  0.75000  Biso   1.000  C
+  C130     1.0000 0.55380  0.25000  0.75000  Biso   1.000  C
+  C131     1.0000 0.52690  0.28290  0.71710  Biso   1.000  C
+  H65      1.0000 0.54480  0.30490  0.69510  Biso   1.000  H
+  O74      1.0000 0.63400  0.71810  0.28190  Biso   1.000  O
+  C132     1.0000 0.61130  0.75000  0.25000  Biso   1.000  C
+  C133     1.0000 0.55380  0.75000  0.25000  Biso   1.000  C
+  C134     1.0000 0.52690  0.71710  0.28290  Biso   1.000  C
+  H66      1.0000 0.54480  0.69510  0.30490  Biso   1.000  H
+  O75      1.0000 0.36600  0.71810  0.71810  Biso   1.000  O
+  C135     1.0000 0.38870  0.75000  0.75000  Biso   1.000  C
+  C136     1.0000 0.44620  0.75000  0.75000  Biso   1.000  C
+  C137     1.0000 0.47310  0.71710  0.71710  Biso   1.000  C
+  H67      1.0000 0.45520  0.69510  0.69510  Biso   1.000  H
+  O76      1.0000 0.36600  0.28190  0.28190  Biso   1.000  O
+  C138     1.0000 0.38870  0.25000  0.25000  Biso   1.000  C
+  C139     1.0000 0.44620  0.25000  0.25000  Biso   1.000  C
+  C140     1.0000 0.47310  0.28290  0.28290  Biso   1.000  C
+  H68      1.0000 0.45520  0.30490  0.30490  Biso   1.000  H
+  O77      1.0000 0.63400  0.21810  0.21810  Biso   1.000  O
+  C141     1.0000 0.61130  0.25000  0.25000  Biso   1.000  C
+  C142     1.0000 0.55380  0.25000  0.25000  Biso   1.000  C
+  C143     1.0000 0.52690  0.21710  0.21710  Biso   1.000  C
+  H69      1.0000 0.54480  0.19510  0.19510  Biso   1.000  H
+  O78      1.0000 0.63400  0.78190  0.78190  Biso   1.000  O
+  C144     1.0000 0.61130  0.75000  0.75000  Biso   1.000  C
+  C145     1.0000 0.55380  0.75000  0.75000  Biso   1.000  C
+  C146     1.0000 0.52690  0.78290  0.78290  Biso   1.000  C
+  H70      1.0000 0.54480  0.80490  0.80490  Biso   1.000  H
+  O79      1.0000 0.36600  0.21810  0.78190  Biso   1.000  O
+  C147     1.0000 0.38870  0.25000  0.75000  Biso   1.000  C
+  C148     1.0000 0.44620  0.25000  0.75000  Biso   1.000  C
+  C149     1.0000 0.47310  0.21710  0.78290  Biso   1.000  C
+  H71      1.0000 0.45520  0.19510  0.80490  Biso   1.000  H
+  O80      1.0000 0.36600  0.78190  0.21810  Biso   1.000  O
+  C150     1.0000 0.38870  0.75000  0.25000  Biso   1.000  C
+  C151     1.0000 0.44620  0.75000  0.25000  Biso   1.000  C
+  C152     1.0000 0.47310  0.78290  0.21710  Biso   1.000  C
+  H72      1.0000 0.45520  0.80490  0.19510  Biso   1.000  H
+  O81      1.0000 0.36600  0.71810  0.28190  Biso   1.000  O
+  C153     1.0000 0.47310  0.71710  0.28290  Biso   1.000  C
+  H73      1.0000 0.45520  0.69510  0.30490  Biso   1.000  H
+  O82      1.0000 0.36600  0.28190  0.71810  Biso   1.000  O
+  C154     1.0000 0.47310  0.28290  0.71710  Biso   1.000  C
+  H74      1.0000 0.45520  0.30490  0.69510  Biso   1.000  H
+  O83      1.0000 0.63400  0.28190  0.28190  Biso   1.000  O
+  C155     1.0000 0.52690  0.28290  0.28290  Biso   1.000  C
+  H75      1.0000 0.54480  0.30490  0.30490  Biso   1.000  H
+  O84      1.0000 0.63400  0.71810  0.71810  Biso   1.000  O
+  C156     1.0000 0.52690  0.71710  0.71710  Biso   1.000  C
+  H76      1.0000 0.54480  0.69510  0.69510  Biso   1.000  H
+  O85      1.0000 0.36600  0.78190  0.78190  Biso   1.000  O
+  C157     1.0000 0.47310  0.78290  0.78290  Biso   1.000  C
+  H77      1.0000 0.45520  0.80490  0.80490  Biso   1.000  H
+  O86      1.0000 0.36600  0.21810  0.21810  Biso   1.000  O
+  C158     1.0000 0.47310  0.21710  0.21710  Biso   1.000  C
+  H78      1.0000 0.45520  0.19510  0.19510  Biso   1.000  H
+  O87      1.0000 0.63400  0.78190  0.21810  Biso   1.000  O
+  C159     1.0000 0.52690  0.78290  0.21710  Biso   1.000  C
+  H79      1.0000 0.54480  0.80490  0.19510  Biso   1.000  H
+  O88      1.0000 0.63400  0.21810  0.78190  Biso   1.000  O
+  C160     1.0000 0.52690  0.21710  0.78290  Biso   1.000  C
+  H80      1.0000 0.54480  0.19510  0.80490  Biso   1.000  H
+  O89      1.0000 0.71810  0.21810  0.86600  Biso   1.000  O
+  O90      1.0000 0.28190  0.78190  0.86600  Biso   1.000  O
+  O91      1.0000 0.86600  0.71810  0.21810  Biso   1.000  O
+  O92      1.0000 0.86600  0.28190  0.78190  Biso   1.000  O
+  O93      1.0000 0.21810  0.86600  0.71810  Biso   1.000  O
+  O94      1.0000 0.78190  0.86600  0.28190  Biso   1.000  O
+  O95      1.0000 0.21810  0.28190  0.86600  Biso   1.000  O
+  O96      1.0000 0.78190  0.71810  0.86600  Biso   1.000  O
+  O97      1.0000 0.71810  0.78190  0.86600  Biso   1.000  O
+  O98      1.0000 0.28190  0.21810  0.86600  Biso   1.000  O
+  O99      1.0000 0.78190  0.28190  0.86600  Biso   1.000  O
+  O100     1.0000 0.21810  0.71810  0.86600  Biso   1.000  O
+  O101     1.0000 0.71810  0.86600  0.21810  Biso   1.000  O
+  O102     1.0000 0.28190  0.86600  0.78190  Biso   1.000  O
+  O103     1.0000 0.86600  0.78190  0.28190  Biso   1.000  O
+  O104     1.0000 0.86600  0.21810  0.71810  Biso   1.000  O
+  C161     1.0000 0.75000  0.25000  0.88870  Biso   1.000  C
+  C162     1.0000 0.75000  0.25000  0.94620  Biso   1.000  C
+  C163     1.0000 0.71710  0.21710  0.97310  Biso   1.000  C
+  H81      1.0000 0.69510  0.19510  0.95520  Biso   1.000  H
+  C164     1.0000 0.25000  0.75000  0.88870  Biso   1.000  C
+  C165     1.0000 0.25000  0.75000  0.94620  Biso   1.000  C
+  C166     1.0000 0.28290  0.78290  0.97310  Biso   1.000  C
+  H82      1.0000 0.30490  0.80490  0.95520  Biso   1.000  H
+  C167     1.0000 0.25000  0.25000  0.88870  Biso   1.000  C
+  C168     1.0000 0.25000  0.25000  0.94620  Biso   1.000  C
+  C169     1.0000 0.21710  0.28290  0.97310  Biso   1.000  C
+  H83      1.0000 0.19510  0.30490  0.95520  Biso   1.000  H
+  C170     1.0000 0.75000  0.75000  0.88870  Biso   1.000  C
+  C171     1.0000 0.75000  0.75000  0.94620  Biso   1.000  C
+  C172     1.0000 0.78290  0.71710  0.97310  Biso   1.000  C
+  H84      1.0000 0.80490  0.69510  0.95520  Biso   1.000  H
+  C173     1.0000 0.71710  0.78290  0.97310  Biso   1.000  C
+  H85      1.0000 0.69510  0.80490  0.95520  Biso   1.000  H
+  C174     1.0000 0.28290  0.21710  0.97310  Biso   1.000  C
+  H86      1.0000 0.30490  0.19510  0.95520  Biso   1.000  H
+  C175     1.0000 0.78290  0.28290  0.97310  Biso   1.000  C
+  H87      1.0000 0.80490  0.30490  0.95520  Biso   1.000  H
+  C176     1.0000 0.21710  0.71710  0.97310  Biso   1.000  C
+  H88      1.0000 0.19510  0.69510  0.95520  Biso   1.000  H
+  C177     1.0000 0.25000  0.88870  0.75000  Biso   1.000  C
+  C178     1.0000 0.25000  0.94620  0.75000  Biso   1.000  C
+  C179     1.0000 0.21710  0.97310  0.71710  Biso   1.000  C
+  H89      1.0000 0.19510  0.95520  0.69510  Biso   1.000  H
+  C180     1.0000 0.75000  0.88870  0.25000  Biso   1.000  C
+  C181     1.0000 0.75000  0.94620  0.25000  Biso   1.000  C
+  C182     1.0000 0.78290  0.97310  0.28290  Biso   1.000  C
+  H90      1.0000 0.80490  0.95520  0.30490  Biso   1.000  H
+  C183     1.0000 0.71710  0.97310  0.21710  Biso   1.000  C
+  H91      1.0000 0.69510  0.95520  0.19510  Biso   1.000  H
+  C184     1.0000 0.28290  0.97310  0.78290  Biso   1.000  C
+  H92      1.0000 0.30490  0.95520  0.80490  Biso   1.000  H
+  C185     1.0000 0.88870  0.75000  0.25000  Biso   1.000  C
+  C186     1.0000 0.94620  0.75000  0.25000  Biso   1.000  C
+  C187     1.0000 0.97310  0.71710  0.21710  Biso   1.000  C
+  H93      1.0000 0.95520  0.69510  0.19510  Biso   1.000  H
+  C188     1.0000 0.88870  0.25000  0.75000  Biso   1.000  C
+  C189     1.0000 0.94620  0.25000  0.75000  Biso   1.000  C
+  C190     1.0000 0.97310  0.28290  0.78290  Biso   1.000  C
+  H94      1.0000 0.95520  0.30490  0.80490  Biso   1.000  H
+  C191     1.0000 0.97310  0.78290  0.28290  Biso   1.000  C
+  H95      1.0000 0.95520  0.80490  0.30490  Biso   1.000  H
+  C192     1.0000 0.97310  0.21710  0.71710  Biso   1.000  C
+  H96      1.0000 0.95520  0.19510  0.69510  Biso   1.000  H
+  C193     1.0000 0.52593  0.48753  0.58660  Biso   1.000  C
+  H97      1.0000 0.52593  0.48753  0.54517  Biso   1.000  H
+  H98      1.0000 0.51885  0.46128  0.61785  Biso   1.000  H
+  H99      1.0000 0.51268  0.51609  0.61351  Biso   1.000  H
+  H100     1.0000 0.56422  0.49252  0.60158  Biso   1.000  H
diff --git a/tests/test_files/missing_h_on_c.cif b/tests/test_files/missing_h_on_c.cif
new file mode 100644
index 0000000..e9cacea
--- /dev/null
+++ b/tests/test_files/missing_h_on_c.cif
@@ -0,0 +1,56 @@
+data_image0
+_cell_length_a       20.0305
+_cell_length_b       6.6713
+_cell_length_c       4.3996
+_cell_angle_alpha    90
+_cell_angle_beta     91.379
+_cell_angle_gamma    90
+
+_symmetry_space_group_name_H-M    "P 1"
+_symmetry_int_tables_number       1
+
+loop_
+  _symmetry_equiv_pos_as_xyz
+  'x, y, z'
+
+loop_
+  _atom_site_label
+  _atom_site_occupancy
+  _atom_site_fract_x
+  _atom_site_fract_y
+  _atom_site_fract_z
+  _atom_site_thermal_displace_type
+  _atom_site_B_iso_or_equiv
+  _atom_site_type_symbol
+  Cu1      1.0000 0.25000  0.25000  0.00000  Biso   1.000  Cu
+  Cu2      1.0000 0.75000  0.25000  0.00000  Biso   1.000  Cu
+  Cu3      1.0000 0.75000  0.75000  0.00000  Biso   1.000  Cu
+  Cu4      1.0000 0.25000  0.75000  0.00000  Biso   1.000  Cu
+  P1       1.0000 0.17500  0.50000  0.47880  Biso   1.000  P
+  P2       1.0000 0.67500  0.00000  0.47880  Biso   1.000  P
+  P3       1.0000 0.82500  0.50000  0.52120  Biso   1.000  P
+  P4       1.0000 0.32500  0.00000  0.52120  Biso   1.000  P
+  C1       1.0000 0.09610  0.50000  0.66700  Biso   1.000  C
+  C2       1.0000 0.03690  0.50000  0.43800  Biso   1.000  C
+  C3       1.0000 0.59610  0.00000  0.66700  Biso   1.000  C
+  C4       1.0000 0.53690  0.00000  0.43800  Biso   1.000  C
+  C5       1.0000 0.90390  0.50000  0.33300  Biso   1.000  C
+  C6       1.0000 0.96310  0.50000  0.56200  Biso   1.000  C
+  C7       1.0000 0.40390  0.00000  0.33300  Biso   1.000  C
+  C8       1.0000 0.46310  0.00000  0.56200  Biso   1.000  C
+  O1       1.0000 0.18150  0.30400  0.30080  Biso   1.000  O
+  O2       1.0000 0.68150  0.80400  0.30080  Biso   1.000  O
+  O3       1.0000 0.81850  0.30400  0.69920  Biso   1.000  O
+  O4       1.0000 0.31850  0.80400  0.69920  Biso   1.000  O
+  O5       1.0000 0.81850  0.69600  0.69920  Biso   1.000  O
+  O6       1.0000 0.31850  0.19600  0.69920  Biso   1.000  O
+  O7       1.0000 0.18150  0.69600  0.30080  Biso   1.000  O
+  O8       1.0000 0.68150  0.19600  0.30080  Biso   1.000  O
+  O9       1.0000 0.27230  0.00000  0.25300  Biso   1.000  O
+  O10      1.0000 0.77230  0.50000  0.25300  Biso   1.000  O
+  O11      1.0000 0.72770  0.00000  0.74700  Biso   1.000  O
+  O12      1.0000 0.22770  0.50000  0.74700  Biso   1.000  O
+  H1       1.0000 0.03722  0.50000  0.19484  Biso   1.000  H
+  H2       1.0000 0.53722  0.00000  0.19484  Biso   1.000  H
+  H3       1.0000 0.90422  0.50000  0.08984  Biso   1.000  H
+  H4       1.0000 0.40422  0.00000  0.08984  Biso   1.000  H
diff --git a/tests/test_files/overvalent_h.cif b/tests/test_files/overvalent_h.cif
new file mode 100644
index 0000000..38abcfd
--- /dev/null
+++ b/tests/test_files/overvalent_h.cif
@@ -0,0 +1,55 @@
+data_image0
+_cell_length_a       20.0305
+_cell_length_b       6.6713
+_cell_length_c       4.3996
+_cell_angle_alpha    90
+_cell_angle_beta     91.379
+_cell_angle_gamma    90
+
+_symmetry_space_group_name_H-M    "P 1"
+_symmetry_int_tables_number       1
+
+loop_
+  _symmetry_equiv_pos_as_xyz
+  'x, y, z'
+
+loop_
+  _atom_site_label
+  _atom_site_occupancy
+  _atom_site_fract_x
+  _atom_site_fract_y
+  _atom_site_fract_z
+  _atom_site_thermal_displace_type
+  _atom_site_B_iso_or_equiv
+  _atom_site_type_symbol
+  Cu1      1.0000 0.25000  0.25000  0.00000  Biso   1.000  Cu
+  Cu2      1.0000 0.75000  0.25000  0.00000  Biso   1.000  Cu
+  Cu3      1.0000 0.75000  0.75000  0.00000  Biso   1.000  Cu
+  Cu4      1.0000 0.25000  0.75000  0.00000  Biso   1.000  Cu
+  P1       1.0000 0.17500  0.50000  0.47880  Biso   1.000  P
+  P2       1.0000 0.67500  0.00000  0.47880  Biso   1.000  P
+  P3       1.0000 0.82500  0.50000  0.52120  Biso   1.000  P
+  P4       1.0000 0.32500  0.00000  0.52120  Biso   1.000  P
+  C1       1.0000 0.09610  0.50000  0.66700  Biso   1.000  C
+  C2       1.0000 0.03690  0.50000  0.43800  Biso   1.000  C
+  C3       1.0000 0.59610  0.00000  0.66700  Biso   1.000  C
+  C4       1.0000 0.53690  0.00000  0.43800  Biso   1.000  C
+  C5       1.0000 0.90390  0.50000  0.33300  Biso   1.000  C
+  C6       1.0000 0.96310  0.50000  0.56200  Biso   1.000  C
+  C7       1.0000 0.40390  0.00000  0.33300  Biso   1.000  C
+  C8       1.0000 0.46310  0.00000  0.56200  Biso   1.000  C
+  O1       1.0000 0.18150  0.30400  0.30080  Biso   1.000  O
+  O2       1.0000 0.68150  0.80400  0.30080  Biso   1.000  O
+  O3       1.0000 0.81850  0.30400  0.69920  Biso   1.000  O
+  O4       1.0000 0.31850  0.80400  0.69920  Biso   1.000  O
+  O5       1.0000 0.81850  0.69600  0.69920  Biso   1.000  O
+  O6       1.0000 0.31850  0.19600  0.69920  Biso   1.000  O
+  O7       1.0000 0.18150  0.69600  0.30080  Biso   1.000  O
+  O8       1.0000 0.68150  0.19600  0.30080  Biso   1.000  O
+  O9       1.0000 0.27230  0.00000  0.25300  Biso   1.000  O
+  O10      1.0000 0.77230  0.50000  0.25300  Biso   1.000  O
+  O11      1.0000 0.72770  0.00000  0.74700  Biso   1.000  O
+  O12      1.0000 0.22770  0.50000  0.74700  Biso   1.000  O
+  H1       1.0000 0.52129  0.47449  0.41430  Biso   1.000  H
+  H2       1.0000 0.51768  0.53941  0.31442  Biso   1.000  H
+  H3       1.0000 0.54279  0.58668  0.27646  Biso   1.000  H
diff --git a/tests/test_geometry.py b/tests/test_geometry.py
new file mode 100644
index 0000000..ecad2b1
--- /dev/null
+++ b/tests/test_geometry.py
@@ -0,0 +1,102 @@
+# -*- coding: utf-8 -*-
+"""Testing the geometry module"""
+from collections import namedtuple
+
+import numpy as np
+from pymatgen.core.composition import Composition
+from pymatgen.core.lattice import Lattice
+from pymatgen.core.structure import PeriodicSite
+
+from mofchecker.checks.local_structure.geometry import (
+    add_methylene_hydrogens,
+    add_sp2_hydrogen,
+    add_sp3_hydrogens_on_cn1,
+    add_sp_hydrogen,
+    get_some_orthorgonal_vector,
+)
+
+ConnectedSite = namedtuple("ConnectedSite", "site")
+
+
+def test_get_some_orthorgonal_vector():
+    """Make sure the vector we get is
+    actually orthogonal to the input and normalized"""
+    some_vec = np.array([1, 1, 1])
+    new_vec = get_some_orthorgonal_vector(some_vec)
+    assert np.abs(np.dot(some_vec, new_vec)) < 0.01
+    assert np.abs(np.linalg.norm(new_vec) - 1) < 0.01
+
+
+def test_add_sp3_hydrogens_on_cn1():
+    """Test on a toy example with one neighbor on the x axis"""
+    site_b_coord = [0, 0, 0]
+    site_a_coord = [0.5, 0, 0]
+
+    lattice = Lattice.from_parameters(1, 1, 1, 90, 90, 90)
+    site_a = PeriodicSite(Composition("H"), site_a_coord, lattice)
+    site_b = ConnectedSite(PeriodicSite(Composition("H"), site_b_coord, lattice))
+
+    vectors = add_sp3_hydrogens_on_cn1(site_a, [site_b])
+
+    for vector in vectors:
+        assert (np.linalg.norm(vector - np.array(site_a_coord)) - 1) < 0.01
+        assert vector[0] > 0.5
+        assert vector[1] != 0
+        assert vector[2] != 0
+
+
+def test_add_methylene_hydrogens():
+    """simplified  test case of existing CN2 coordination"""
+    site_b_coord = [0.1, 0.1, 0]
+    site_a_coord = [0, 0.5, 0]
+    site_c_coord = [0.1, 0.9, 0]
+
+    lattice = Lattice.from_parameters(1, 1, 1, 90, 90, 90)
+    site_a = PeriodicSite(Composition("H"), site_a_coord, lattice)
+    site_b = ConnectedSite(PeriodicSite(Composition("H"), site_b_coord, lattice))
+    site_c = ConnectedSite(PeriodicSite(Composition("H"), site_c_coord, lattice))
+
+    hydrogens = add_methylene_hydrogens(site_a, [site_b, site_c])
+
+    assert len(hydrogens) == 2
+    for vector in hydrogens:
+        assert np.abs(np.linalg.norm(vector - np.array(site_a_coord)) - 1) < 0.01
+        assert np.abs(vector[1] - 0.5) < 0.01
+        assert vector[0] < 0.5
+        assert vector[2] <= 0.5
+
+
+def test_add_sp2_hydrogen():
+    """simplified  test case of existing CN2 coordination"""
+    site_b_coord = [0.1, 0.1, 0]
+    site_a_coord = [0, 0.5, 0]
+    site_c_coord = [0.1, 0.9, 0]
+
+    lattice = Lattice.from_parameters(1, 1, 1, 90, 90, 90)
+    site_a = PeriodicSite(Composition("H"), site_a_coord, lattice)
+    site_b = ConnectedSite(PeriodicSite(Composition("H"), site_b_coord, lattice))
+    site_c = ConnectedSite(PeriodicSite(Composition("H"), site_c_coord, lattice))
+
+    hydrogen = add_sp2_hydrogen(site_a, [site_b, site_c])
+    assert len(hydrogen) == 3
+
+    assert np.abs(np.linalg.norm(hydrogen - np.array(site_a_coord)) - 1) < 0.01
+    assert np.abs(hydrogen[1] - 0.5) < 0.001
+    assert hydrogen[0] < 0
+    assert np.abs(hydrogen[2]) < 0.001
+
+
+def test_add_sp_hydrogen():
+    """Add H on simplified case with one neighbor"""
+    site_b_coord = [0, 0, 0]
+    site_a_coord = [0.5, 0, 0]
+    lattice = Lattice.from_parameters(1, 1, 1, 90, 90, 90)
+    site_a = PeriodicSite(Composition("H"), site_a_coord, lattice)
+    site_b = ConnectedSite(PeriodicSite(Composition("H"), site_b_coord, lattice))
+
+    hydrogen = add_sp_hydrogen(site_a, [site_b])
+    assert len(hydrogen) == 3
+
+    assert np.abs(np.linalg.norm(np.array(site_a_coord) - hydrogen) - 1) < 0.01
+    assert np.linalg.norm(hydrogen[1]) < 0.01
+    assert np.linalg.norm(hydrogen[2]) < 0.01
diff --git a/tests/test_global_structure.py b/tests/test_global_structure.py
new file mode 100644
index 0000000..bf63268
--- /dev/null
+++ b/tests/test_global_structure.py
@@ -0,0 +1,19 @@
+# -*- coding: utf-8 -*-
+from mofchecker.checks.global_structure import (
+    HasCarbon,
+    HasHydrogen,
+    HasMetal,
+    HasNitrogen,
+)
+
+
+def test_no_c(get_no_c):
+    for structure in get_no_c:
+        has_c = HasCarbon(structure)
+        assert not has_c.is_ok
+
+
+def test_no_h(get_no_h):
+    for structure in get_no_h:
+        has_h = HasHydrogen(structure)
+        assert not has_h.is_ok
diff --git a/tests/test_hash.py b/tests/test_hash.py
index 3d9f692..b7d1041 100644
--- a/tests/test_hash.py
+++ b/tests/test_hash.py
@@ -2,7 +2,7 @@
 """Testing the hash functions."""
 import os
 
-from pymatgen import Structure
+from pymatgen.core import Structure
 from pymatgen.transformations.standard_transformations import RotationTransformation
 
 from mofchecker import MOFChecker
@@ -57,7 +57,7 @@ def test_graph_hash_robustness():  # pylint: disable=too-many-locals
     assert mof_74_zr.graph_hash != todyuj_checker.graph_hash
     assert mof_74_zr.graph_hash != vogtiv_checker.graph_hash
 
-    # MOF-74-Zn.cif
+    # # MOF-74-Zn.cif
     mof_74_zn = MOFChecker(
         Structure.from_file(os.path.join(THIS_DIR, "test_files", "MOF-74-Zn.cif"))
     )
@@ -72,7 +72,7 @@ def test_graph_hash_robustness():  # pylint: disable=too-many-locals
     assert uio_66.graph_hash != vogtiv_checker.graph_hash
     assert uio_66.graph_hash != mof_74_zr.graph_hash
 
-    # MOF-5 is not ZIF-8
+    # # MOF-5 is not ZIF-8
     mof_5 = MOFChecker(
         Structure.from_file(os.path.join(THIS_DIR, "test_files", "mof-5_cellopt.cif"))
     )
@@ -81,7 +81,7 @@ def test_graph_hash_robustness():  # pylint: disable=too-many-locals
     )
     assert mof_5.graph_hash != zif_8.graph_hash
 
-    # Mn-MOF-74 and UiO-67
+    # # Mn-MOF-74 and UiO-67
     coknun = MOFChecker(
         Structure.from_file(os.path.join(THIS_DIR, "test_files", "coknun01.cif"))
     )
@@ -90,7 +90,7 @@ def test_graph_hash_robustness():  # pylint: disable=too-many-locals
     )
     assert coknun.graph_hash != wizmac.graph_hash
 
-    # Daniele's report
+    # # Daniele's report
     mmpf7 = MOFChecker(
         Structure.from_file(os.path.join(THIS_DIR, "test_files", "943643.cif"))
     )
@@ -112,3 +112,17 @@ def test_graph_hash_robustness():  # pylint: disable=too-many-locals
 
     assert oriwet.graph_hash == coknun.graph_hash
     assert oriwet.scaffold_hash == coknun.scaffold_hash
+
+    # ZIF3/4
+    # zif3 = MOFChecker.from_cif(os.path.join(THIS_DIR, "test_files", "ZIF-3.cif"))
+    # zif4 = MOFChecker.from_cif(os.path.join(THIS_DIR, "test_files", "ZIF-4.cif"))
+    # assert zif3.graph_hash != zif4.graph_hash
+
+    # issue 130
+    cof_18141N2 = MOFChecker.from_cif(  # pylint: disable=invalid-name
+        os.path.join(THIS_DIR, "test_files", "18141N2.cif")
+    )
+    cof_20211N2 = MOFChecker.from_cif(  # pylint: disable=invalid-name
+        os.path.join(THIS_DIR, "test_files", "20211N2.cif")
+    )
+    assert cof_18141N2.graph_hash != cof_20211N2.graph_hash
diff --git a/tests/test_local_structure.py b/tests/test_local_structure.py
new file mode 100644
index 0000000..c2ca2a4
--- /dev/null
+++ b/tests/test_local_structure.py
@@ -0,0 +1,28 @@
+# -*- coding: utf-8 -*-
+import os
+
+from pymatgen.core import Structure
+
+from mofchecker.checks.local_structure.false_oxo import FalseOxoCheck
+from mofchecker.checks.local_structure.overlapping_atoms import AtomicOverlapCheck
+from mofchecker.graph import get_structure_graph
+
+THIS_DIR = os.path.dirname(os.path.realpath(__file__))
+
+
+def test_clashing(get_clashing_structures):
+    for structure in get_clashing_structures:
+        overlap_check = AtomicOverlapCheck(structure)
+        assert not overlap_check.is_ok
+
+
+def test_false_oxo():
+    structure = Structure.from_file(
+        os.path.join(THIS_DIR, "test_files", "false_terminal_oxo_ca.cif")
+    )
+    structure_graph = get_structure_graph(structure, "vesta")
+
+    checker = FalseOxoCheck(structure, structure_graph)
+    print(checker.is_ok)
+    assert not checker.is_ok
+    assert len(checker.flagged_indices) == 1
diff --git a/tests/test_mofchecker.py b/tests/test_mofchecker.py
index c8f1a53..e96dd7a 100644
--- a/tests/test_mofchecker.py
+++ b/tests/test_mofchecker.py
@@ -4,7 +4,8 @@
 import os
 
 import pytest
-from pymatgen import Structure
+from ase.io import read
+from pymatgen.core import Structure
 
 from mofchecker import MOFChecker
 
@@ -16,53 +17,39 @@ def test_partial_occupancy():
         MOFChecker.from_cif(os.path.join(THIS_DIR, "test_files", "ABUBIK.cif"))
 
 
-def test_has_oms(get_cn4_structure, get_cn5_paddlewheel_structure):
-
-    omsdetector = MOFChecker(get_cn4_structure)
-    assert omsdetector.has_oms == True
-
-    omsdetector = MOFChecker(get_cn5_paddlewheel_structure)
-    assert omsdetector.has_oms == False
-
-
-def test_has_oms_multiple(get_testdict):
-    for k, v in get_testdict.items():
-        omsdetector = MOFChecker.from_cif(k)
-        assert omsdetector.has_oms == v
-
-
-def test_clashing(get_clashing_structures):
-    for structure in get_clashing_structures:
-        mofchecker = MOFChecker(structure)
-        assert mofchecker.has_atomic_overlaps == True
-
-
 def test_name():
     s = os.path.join(THIS_DIR, "test_files", "ABAVIJ_clean.cif")
     mofchecker = MOFChecker.from_cif(s)
     assert mofchecker.name == "ABAVIJ_clean"
 
 
-def test_no_h(get_no_h):
-    for structure in get_no_h:
-        mofchecker = MOFChecker(structure)
-        assert mofchecker.has_hydrogen == False
-
-
-def test_no_c(get_no_c):
-    for structure in get_no_c:
-        mofchecker = MOFChecker(structure)
-        assert mofchecker.has_carbon == False
-
-
 def test_unknown_elements():
     """Parsing structure with unknown element raises warning for covalent radius."""
-    with pytest.warns(UserWarning) as record:
+    # with pytest.warns(UserWarning) as record:
+    #     mofchecker = MOFChecker.from_cif(
+    #         os.path.join(THIS_DIR, "test_files", "GUPQOA.cif")
+    #     )
+    #     mofchecker.get_mof_descriptors()
+    # assert len(record) >= 1
+
+    with pytest.raises(NotImplementedError):
         mofchecker = MOFChecker.from_cif(
             os.path.join(THIS_DIR, "test_files", "GUPQOA.cif")
         )
         mofchecker.get_mof_descriptors()
-    assert len(record) >= 1
+
+
+def test_overvalent_h():
+    mofchecker = MOFChecker.from_cif(
+        os.path.join(THIS_DIR, "test_files", "overvalent_h.cif")
+    )
+    assert mofchecker.has_overvalent_h
+    assert len(mofchecker.overvalent_h_indices) == 3
+
+    mofchecker = MOFChecker.from_cif(
+        os.path.join(THIS_DIR, "test_files", "XIGFOJ_manual.cif")
+    )
+    assert not mofchecker.has_overvalent_h
 
 
 def test_overvalent_c(get_overvalent_c_structures):
@@ -88,23 +75,6 @@ def test_overvalent_c(get_overvalent_c_structures):
     assert mofchecker.has_overvalent_c == False
 
 
-def test_lone_atom():
-    mofchecker = MOFChecker(
-        Structure.from_file(os.path.join(THIS_DIR, "test_files", "ABAVIJ_clean.cif"))
-    )
-    assert mofchecker.has_lone_atom == False
-
-    mofchecker = MOFChecker(
-        Structure.from_file(os.path.join(THIS_DIR, "test_files", "HKUST_floating.cif"))
-    )
-    assert mofchecker.has_lone_atom == True
-
-    mofchecker = MOFChecker(
-        Structure.from_file(os.path.join(THIS_DIR, "test_files", "FEZTIP_clean.cif"))
-    )
-    assert mofchecker.has_lone_atom == False
-
-
 def test_lone_molecule():
     mofchecker = MOFChecker(
         Structure.from_file(os.path.join(THIS_DIR, "test_files", "ABAVIJ_clean.cif"))
@@ -116,11 +86,27 @@ def test_lone_molecule():
     )
     assert mofchecker.has_lone_molecule == True
 
-    mofchecker = MOFChecker(
-        Structure.from_file(os.path.join(THIS_DIR, "test_files", "UiO_66_water.cif"))
-    )
+    assert mofchecker.lone_molecule_indices == [[144]]
+
+    # mofchecker = MOFChecker(
+    #     Structure.from_file(os.path.join(THIS_DIR, "test_files", "UiO_66_water.cif"))
+    # )
+    # assert mofchecker.has_lone_molecule == True
+
+    atoms = read(os.path.join(THIS_DIR, "test_files", "floating_check.cif"))
+    mofchecker = MOFChecker.from_ase(atoms)
+    assert len(mofchecker.lone_molecule_indices) == 1
+    assert len(mofchecker.lone_molecule_indices[0]) == 5
+    species = []
+    for ind in mofchecker.lone_molecule_indices[0]:
+        species.append(str(mofchecker.structure[ind].specie))
+    assert set(species) == set(["H", "H", "H", "H", "C"])
     assert mofchecker.has_lone_molecule == True
 
+    atoms = read(os.path.join(THIS_DIR, "test_files", "overvalent_h.cif"))
+    mofchecker = MOFChecker.from_ase(atoms, primitive=False)
+    assert len(mofchecker.lone_molecule_indices) == 3
+
 
 def test_undercoordinated_c():
     mofchecker = MOFChecker(
@@ -133,11 +119,20 @@ def test_undercoordinated_c():
     )
     assert mofchecker.has_undercoordinated_c == True
 
-    # alkine ligand
+    # alkine ligand but lets exclude this as the coordination environment
+    # is quite unusual
+    # mofchecker = MOFChecker(
+    #     Structure.from_file(os.path.join(THIS_DIR, "test_files", "RUDQUD_clean.cif"))
+    # )
+    # assert mofchecker.has_undercoordinated_c == False
+
+    # alkene ligand
     mofchecker = MOFChecker(
-        Structure.from_file(os.path.join(THIS_DIR, "test_files", "RUDQUD_clean.cif"))
+        Structure.from_file(os.path.join(THIS_DIR, "test_files", "missing_h_on_c.cif"))
     )
-    assert mofchecker.has_undercoordinated_c == False
+    assert mofchecker.has_undercoordinated_c == True
+    assert len(mofchecker.undercoordinated_c_indices) == 2
+    assert len(mofchecker.undercoordinated_c_candidate_positions) == 2
 
 
 def test_undercoordinated_n():
diff --git a/tests/test_oms.py b/tests/test_oms.py
new file mode 100644
index 0000000..9cb22fe
--- /dev/null
+++ b/tests/test_oms.py
@@ -0,0 +1,23 @@
+# -*- coding: utf-8 -*-
+"""Testing the code for the OMS detection"""
+import pytest
+
+from mofchecker import MOFChecker
+
+
+@pytest.mark.skip
+def test_has_oms(get_cn4_structure, get_cn5_paddlewheel_structure):
+    """Test two specific structures"""
+    omsdetector = MOFChecker(get_cn4_structure)
+    assert omsdetector.has_oms
+
+    omsdetector = MOFChecker(get_cn5_paddlewheel_structure)
+    assert not omsdetector.has_oms
+
+
+@pytest.mark.skip
+def test_has_oms_multiple(get_testdict):
+    """Test on a bunch of different structures"""
+    for key, value in get_testdict.items():
+        omsdetector = MOFChecker.from_cif(key)
+        assert omsdetector.has_oms == value