Add ChIMES_C_2.0-Small_2025 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: ChIMES C 2.0-Small 2025
+---
+### <details><summary>Cite this dataset </summary>Lindsey, R. K., Goldman, N., and Fried, L. E. _ChIMES C 2.0-Small 2025_. ColabFit, 2025. https://doi.org/10.60732/ef8a9926</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_bkm2tahmkd0o_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+ChIMES C 2.0-Small 2025  
+### Description  
+The ChIMES C 2.0 Small dataset consists of initial structures of carbon calculated at the DFT level using VASP and trajectories produced using the ChIMES model. See links for the model code and ChIMES simulation evaluation library.  
+### Dataset authors  
+Rebecca K. Lindsey, Nir Goldman, Laurence E. Fried  
+### Publication  
+https://doi.org/10.1038/s41524-024-01497-y  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+601  
+### Number of atoms  
+117976  
+### Elements included  
+C  
+### 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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+oid sha256:80492321b09149eb899cfb7c76ebc8de6cd77e4c0ed38fe56aae4af21198f70c
+size 4748261

cs/cs_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:1dad086624bef51af2735dbb3c2842b3c947fea5829266e5ed15afbf2c7287fa
+size 9731

cs_co_map/cs_co_map_0.parquet

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+oid sha256:b9240b625d962c15e7f80adbdc75bb474a9f2c6a249b0bcf7e9097cdcb991fe4
+size 44217

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:0fa6a4e633368ba89605c02d264b532a6329747fa6e33d128f6320f06d5144b0
+size 17056