Add Zn_MTP_CMS2023 files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: cc-by-4.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: Zn MTP CMS2023
+---
+### <details><summary>Cite this dataset </summary>Mei, H., Cheng, L., Chen, L., Wang, F., Li, J., and Kong, L. _Zn MTP CMS2023_. ColabFit, 2024. https://doi.org/10.60732/54902e18</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_58y020ce6b6j_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+Zn MTP CMS2023  
+### Description  
+A training dataset of diverse atomic configurations of Zn, varying in aggregation states, crystal structures, defect types, and sizes. The aim was to derive a potential capable of accurately describing a broad spectrum of local atomic configurations in Zn.  
+### Dataset authors  
+Haojie Mei, Luyao Cheng, Liang Chen, Feifei Wang, Jinfu Li, Lingti Kong  
+### Publication  
+https://doi.org/10.1016/j.commatsci.2023.112723  
+### Original data link  
+https://github.com/meihaojie/Zn_system/tree/main  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+13299  
+### Number of atoms  
+276240  
+### Elements included  
+Zn  
+### 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 sha256:56adb57d428e2b341e8946ab9c3b8175311cf11ecca96b59ca033def2b78d4c5
+size 9235218

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:f2fa84cdd50d0d147b4573719d732b7a4b0e8f245524eed29acb6c87af7ddea9
+size 16907