Add CHON_JCP_2020 files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: mit
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: CHON JCP 2020
+---
+### <details><summary>Cite this dataset </summary>Onat, B., Ortner, C., and Kermode, J. R. _CHON JCP 2020_. ColabFit, 2023. https://doi.org/10.60732/c5e37779</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_3td9plyix4ib_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+CHON JCP 2020  
+### Description  
+This dataset of molecular structures was extracted, using the NOMAD API, from all available structures in the NOMAD Archive that only include C, H, O, and N. This dataset consists of 50.42% H, 30.41% C, 10.36% N, and 8.81% O and includes 96 804 atomic environments in 5217 structures.  
+### Dataset authors  
+Berk Onat, Christoph Ortner, James R. Kermode  
+### Publication  
+https://doi.org/10.1063/5.0016005  
+### Original data link  
+https://github.com/DescriptorZoo/sensitivity-dimensionality-results/tree/master/datasets  
+### License  
+MIT  
+### Number of unique molecular configurations  
+3774  
+### Number of atoms  
+60197  
+### Elements included  
+C, H, N, O  
+### Properties included  
+energy, 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:c9885caf888d4ede3030641a9f6386d2ac15484fb2cbe80b12ba1236baeac8f8
+size 2284456

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:76175d8c66e4e2f51b26fdaed4f4296e42e64ae81058a7cc3388832d1448bf6b
+size 17301