Add W_PRB2019 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: W PRB2019
+---
+### <details><summary>Cite this dataset </summary>Byggmästar, J., Hamedani, A., Nordlund, K., and Djurabekova, F. _W PRB2019_. ColabFit, 2023. https://doi.org/10.60732/6367ea51</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_gh9s2sopu064_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+W PRB2019  
+### Description  
+This dataset was originally designed to fit a GAP potential with a specific focus on properties relevant for simulations of radiation-induced collision cascades and the damage they produce, including a realistic repulsive potential for short-range many-body cascade dynamics and a good description of the liquid phase.  
+### Dataset authors  
+Jesper Byggmästar, Ali Hamedani, Kai Nordlund, Flyura Djurabekova  
+### Publication  
+https://doi.org/10.1103/PhysRevB.100.144105  
+### Original data link  
+https://gitlab.com/acclab/gap-data/-/tree/master/W/2019-05-24  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+3528  
+### Number of atoms  
+42068  
+### Elements included  
+W  
+### 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 sha256:0ea8c86659e9460c64c5358643f051d376c1d7c36055751f6baa681bbefbb39e
+size 3142314

cs/cs_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:3181133277faae04f119a23f25e2d368899a37d8167b673d8ada96a8bc1a8a24
+size 10258

cs_co_map/cs_co_map_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:cc1a169a3855d47aecb0cbd3a5d5f64f922481ed47332b117f571c5c22558dcb
+size 46950

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:387d1d8618b6cb5a73235ef901f3fdf019f6bf9791431363c79f8fdfc5a22dcc
+size 17267