Foundation model: SevenNet-0 (11Jul2024) (J. Chem. Theory Comput. 2024, 20, 11, 4857–4868)

Fine-tuned from the foundation model using in-house DFT data: SevenNet-0-finetuned-HEA-MLIP.pth.

MAE Energy: 0.894 meV/atom force: 0.0227 eV/Å

The in-house DFT data contains 11,350 DFT frames with 10 elements (V, Cr, Mn, Fe, Co, Ni, Cu, Mo, Ga, and N).