Machine-learning models for Li3PO4 molecular dynamics under electric fields (GRACE potential and Equivar Born-effective-charge model)

GRACE-2L-OAM interatomic potential and Equivar (BM1) equivariant neural network for per-atom Born effective charge tensors, both fine-tuned on Li3PO4 DFT and DFPT data, with an example script for molecular dynamics under an electric field and the amorphous production cell.