Add Ag-PBE_MSMSE_2021 files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: lgpl-3.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: Ag-PBE MSMSE 2021
+---
+### <details><summary>Cite this dataset </summary>Wang, Y., Wang, X., Zhang, L., Xu, B., and Wang, H. _Ag-PBE MSMSE 2021_. ColabFit, 2023. https://doi.org/10.60732/93adbc95</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_6e5ljaqa3cfr_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+Ag-PBE MSMSE 2021  
+### Description  
+Approximately 7,600 configurations of Ag used as part of a training dataset for a DP-GEN-based ML model for a Ag-Au nanoalloy potential.  
+### Dataset authors  
+Yinan Wang, Xiaoyang Wang, Linfeng Zhang, Ben Xu, Han Wang  
+### Publication  
+https://doi.org/10.1088/1361-651X/ac4002  
+### Original data link  
+https://www.aissquare.com/datasets/detail?pageType=datasets&name=Ag-PBE  
+### License  
+LGPL-3.0-only  
+### Number of unique molecular configurations  
+7589  
+### Number of atoms  
+152114  
+### Elements included  
+Ag  
+### 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:f973b3e12d91e195a43e406668ab98e9b8083f9c77c93f6436caede43afbf1e1
+size 6337027

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:861e1f07b167096098c549603f2bbcaecb67f7eea97a2538221077a40eab9e1c
+size 16666