Add Al_Cu_Mg_GSFE_JMPS2019 files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+- config_name: configuration_sets
+  data_files: "cs/*.parquet"
+- config_name: config_set_mapping
+  data_files: "cs_co_map/*.parquet"
+license: cc-by-4.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: Al Cu Mg GSFE JMPS2019
+---
+### <details><summary>Cite this dataset </summary>Yin, B., Andric, P., and Curtin, W. A. _Al Cu Mg GSFE JMPS2019_. ColabFit, 2024. https://doi.org/10.60732/861da1bc</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_styimm9cal6v_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+Al Cu Mg GSFE JMPS2019  
+### Description  
+Dataset from "Stress-dependence of generalized stacking fault energies":DFT calculations of generalized stacking fault energies (GSFE) for Al, Cu, and Mg.  
+### Dataset authors  
+Binglun Yin, Predrag Andric, W. A. Curtin  
+### Publication  
+https://doi.org/10.1016/j.jmps.2018.09.007  
+### Original data link  
+https://doi.org/10.24435/materialscloud:2019.0089/v1  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+272  
+### Number of atoms  
+3264  
+### Elements included  
+Al, Cu, Mg  
+### Properties included  
+energy, atomic forces, cauchy stress  
+<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:ffc38bb4adb93a85ea79d10791f1eee79bee07ef382635e8969eb0903bdb3d40
+size 149701

cs/cs_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:c9cef356e4b5b188338be023d23051a258a2f99e7a2832cde9bc06a2338fedc4
+size 7853

cs_co_map/cs_co_map_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:957944cdbb41f60249d05e3d0324092a37824638bf1b94eaa52463f376fbd725
+size 4585

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:18b308e62a08ed23b8c2b82a0420a089f5891d93e2d239681d1e7427e07f9526
+size 16470