DFT dataset: MACE MLIP for Fe–Ni Alloys
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资源简介:
The dataset contains the training/validation files in XYZ format generated from VASP DFT (spin-polarized PBE) calculations.
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Zenodo创建时间:
2026-08-19

The dataset contains the training/validation files in XYZ format generated from VASP DFT (spin-polarized PBE) calculations.