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|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.
|Number of Data Objects
|Number of Configurations
|Number of Atoms
|Configuration Sets by Name
NNIP_FeH_PRM_2021_Fe — alpha-iron-only configurations from NNIP_FeH_PRM_2021 dataset
NNIP_FeH_PRM_2021_H — Hydrogen-only configurations from NNIP_FeH_PRM_2021 dataset
NNIP_FeH_PRM_2021_Fe — Configurations containing alpha-iron with hydrogen from NNIP_FeH_PRM_2021 dataset
|Configuration Sets by ID
|Too many to display
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