Fan-Shun Meng,
Jun-Ping Du,
Shuhei Shinzato,
Hideki Mori,
Peijun Yu,
Kazuki Matsubara,
Nobuyuki Ishikawa,
Shigenobu Ogata,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
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.