Add C_NPJ2020 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: C NPJ2020
+---
+### <details><summary>Cite this dataset </summary>Wen, M., and Tadmor, E. B. _C NPJ2020_. ColabFit, 2023. https://doi.org/10.60732/e65112ef</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_qph0akhjv9kv_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+C NPJ2020  
+### Description  
+The dataset consists of energies and forces for monolayer graphene, bilayer graphene, graphite, and diamond in various states, including strained static structures and configurations drawn from ab initio MD trajectories. A total number of 4788 configurations was generated from DFT calculations using the Vienna Ab initio Simulation Package (VASP). The energies and forces are stored in the extended XYZ format. One file for each configuration.  
+### Dataset authors  
+Mingjian Wen, Ellad B. Tadmor  
+### Publication  
+https://doi.org/10.1038/s41524-020-00390-8  
+### Original data link  
+https://doi.org/10.6084/m9.figshare.12649811.v1  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+4769  
+### Number of atoms  
+228396  
+### 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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+version https://git-lfs.github.com/spec/v1
+oid sha256:2c0f8241d6927b361c20d056d1b588540d5fc0e46d00766f906bdae000c98066
+size 11849461

cs/cs_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:b82ff631b72e1a6533426aaa4fe8ba91d980525f613c8a7839584b828c60bc2e
+size 7755

cs_co_map/cs_co_map_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:bb2914eecd0307e82d6724a6b25569570306c75e90cb3c82b1b8a5b65763128b
+size 61884

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:b6301011571648503d2b0dfe8a04a3f3e4e54f5b243414800ff9ef4e775af073
+size 17582