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README.md

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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc-by-4.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: Si-H-GAP reference
----
-# Dataset  
-Si-H-GAP reference  
-### Description  
-A reference set of configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. These configurations were used to evaluate training on a GAP model.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Davis Unruh, Reza Vatan Meidanshahi, Stephen M. Goodnick, Gábor Csányi, Gergely T. Zimányi  
-### Publication  
-https://doi.org/10.1103/PhysRevMaterials.6.065603  
-### Original data link 
-https://github.com/dgunruh/Si-H-GAP  
-### License  
-CC-BY-4.0  
-### Number of unique molecular configurations  
-114  
-### Number of atoms  
-24895  
-### Elements included  
-H, Si  
-### Properties included  
-energy, atomic forces, cauchy stress  
-### Cite this dataset
-Unruh, D., Meidanshahi, R. V., Goodnick, S. M., Csányi, G., and Zimányi, G. T. _Si-H-GAP reference_. ColabFit, 2023. https://doi.org/10.60732/54bc0a93