Add Carbon_X files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: cc-by-4.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: Carbon X
+---
+### <details><summary>Cite this dataset </summary>Martirossyan, M. M., Egg, T., Hoellmer, P., Karypis, G., Transtrum, M., Roitberg, A., Liu, M., Hennig, R. G., Tadmor, E. B., and Martiniani, S. _Carbon X_. ColabFit, 2025. https://doi.org/None</details>  
+#### This dataset has been curated and formatted for the ColabFit Exchange  
+#### This dataset is also available on the ColabFit Exchange:  
+https://materials.colabfit.org/id/DS_m0z5hh54l9sq_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+Carbon X  
+### Description  
+This dataset is a companion dataset to Carbon-24 Unique. Carbon X contains 480 carbon structures of duplicates which have the same cell shape and same number of atoms per unit cell (N=6), with different translations (X) of the fractional coordinates. Carbon_X has been cultivated from Carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1). Material IDs from the original dataset are included in the metadata as 'original_id'.  
+### Dataset authors  
+Maya M. Martirossyan, Thomas Egg, Philipp Hoellmer, George Karypis, Mark Transtrum, Adrian Roitberg, Mingjie Liu, Richard G. Hennig, Ellad B. Tadmor, Stefano Martiniani  
+### Publication  
+https://doi.org/10.48550/arXiv.2509.12178  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+480  
+### Number of atoms  
+2880  
+### Elements included  
+C  
+### Properties included  
+  
+<br>
+<hr>  
+
+# Usage  
+- `ds.parquet` : Aggregated dataset information.  
+- `co/` directory: Configuration rows each include a structure, calculated properties, and metadata.  
+- `cs/` directory : Configuration sets are subsets of configurations grouped by some common characteristic. If `cs/` does not exist, no configurations sets have been defined for this dataset.  
+- `cs_co_map/` directory : The mapping of configurations to configuration sets (if defined).  
+<br>
+#### ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:  
+- [Parquet parsing: example code](https://materials.colabfit.org/docs/how_to_use_parquet)  
+- [Dataset info schema](https://materials.colabfit.org/docs/dataset_schema)  
+- [Configuration schema](https://materials.colabfit.org/docs/configuration_schema)  
+- [Configuration set schema](https://materials.colabfit.org/docs/configuration_set_schema)  
+- [Configuration set to configuration mapping schema](https://materials.colabfit.org/docs/cs_co_mapping_schema)  

co/co_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:268bdea39411edd6aa0627ca5ff43ab7fc0eb261147ec0fb56b3ebc4ada0e684
+size 322872

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:698bd69eafe9aeb3e16fd26ef49a25d8354d09de479a094cadfa3a99748e2520
+size 22739