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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: NNIP FeH PRM 2021
----
-### Cite this dataset  
-Meng, F., Du, J., Shinzato, S., Mori, H., Yu, P., Matsubara, K., Ishikawa, N., and Ogata, S. _NNIP FeH PRM 2021_. ColabFit, 2023. https://doi.org/10.60732/6e08b70b
-  ### View on the ColabFit Exchange  
-https://materials.colabfit.org/id/DS_nb8hcpibz1dt_0  
-# Dataset  Name  
-NNIP FeH PRM 2021  
-### Description  
-Approximately 20,000 configurations from a dataset of alpha-iron and hydrogen. Properties include forces and potential energy, calculated using VASP at the DFT level using the GGA-PBE functional.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Fan-Shun Meng, Jun-Ping Du, Shuhei Shinzato, Hideki Mori, Peijun Yu, Kazuki Matsubara, Nobuyuki Ishikawa, Shigenobu Ogata  
-### Publication  
-https://doi.org/10.1103/PhysRevMaterials.5.113606  
-### Original data link 
-https://github.com/mengfsou/NNIP-FeH  
-### License  
-CC-BY-4.0  
-### Number of unique molecular configurations  
-20920  
-### Number of atoms  
-1870008  
-### Elements included  
-Fe, H  
-### Properties included  
-energy, atomic forces, cauchy stress