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README.md

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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: gpl-2.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: InP JPCA2020
----
-### Cite this dataset  
-Cusentino, M. A., Wood, M. A., and Thompson, A. P. _InP JPCA2020_. ColabFit, 2023. https://doi.org/10.60732/50cc0906
-  ### View on the ColabFit Exchange  
-https://materials.colabfit.org/id/DS_03ph25s4yepy_0  
-# Dataset  Name  
-InP JPCA2020  
-### Description  
-This data set was used to generate a multi-element linear SNAP potential for InP, as published in Cusentino, M. A. et. al, J. Chem. Phys. (2020). Intended to produce an interatomic potential for indium phosphide capable of capturing high-energy defects that result from radiation damage cascades.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Mary Alice Cusentino, Mitchell A. Wood, Aidan P. Thompson  
-### Publication  
-https://doi.org/10.1021/acs.jpca.0c02450  
-### Original data link 
-https://github.com/FitSNAP/FitSNAP/tree/master/examples/InP_JPCA2020  
-### License  
-GPL-2.0  
-### Number of unique molecular configurations  
-1802  
-### Number of atoms  
-106761  
-### Elements included  
-In, P  
-### Properties included  
-energy, atomic forces, cauchy stress