# ====================
# Global settings
# ====================

units           metal
atom_style      atomic
atom_modify     map yes
newton          on

# ====================
# Structure
# ====================

read_data       initial.data

# ====================
# Potential
# ====================

pair_style mace

# the elements need to match the order in the data file
pair_coeff * * ../../pretrained/2023-12-12-mace-128-L1_epoch-199.model-lammps.pt H Ni