Add MoNbTaVW_PRB2021 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: MoNbTaVW PRB2021
+---
+### <details><summary>Cite this dataset </summary>Byggmästar, J., Nordlund, K., and Djurabekova, F. _MoNbTaVW PRB2021_. ColabFit, 2023. https://doi.org/10.60732/00dc545a</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_0shp3qrqk9k9_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+MoNbTaVW PRB2021  
+### Description  
+This dataset was originally designed to fit a GAP model for the Mo-Nb-Ta-V-W quinary system that was used to study segregation and defects in the body-centered-cubic refractory high-entropy alloy MoNbTaVW.  
+### Dataset authors  
+Jesper Byggmästar, Kai Nordlund, Flyura Djurabekova  
+### Publication  
+https://doi.org/10.1103/PhysRevB.104.104101  
+### Original data link  
+https://doi.org/10.23729/1b845398-5291-4447-b417-1345acdd2eae  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+2329  
+### Number of atoms  
+127913  
+### Elements included  
+Mo, Nb, Ta, V, 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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+oid sha256:6d05895317a73697c89ba9fc60af26bcf6167208b780f423ef11f4fcb33af1de
+size 6497764

cs/cs_0.parquet

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+oid sha256:1727a77fd1296a7cda2119435ca7483141b049e7af26a0485e08e52ae65f13a9
+size 11610

cs_co_map/cs_co_map_0.parquet

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+oid sha256:28f128048a0293ca9df56a539a6ed412fc35f5c0c3c21ef57fb52135119f4785
+size 31692

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:f33322852c109af15ac6ddd3528c515cca6a9a3450432fcc74ece1b42805ab8e
+size 16837