Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: TorchML_MACE_GuptaTadmorMartiniani_2024_Si__MO_781946209112_000 XYZ file: cluster.xyz Isolated atomic energy for species Si: -5.25334167480469 eV Sum of isolated atomic energies: -26.26670837402345 eV Raw unrelaxed total potential energy: -16.41317 eV Unrelaxed energy with isolated atomic energies subtracted: 9.85353837402345 eV Raw relaxed total potential energy: -16.41317 eV Relaxed energy with isolated atomic energies subtracted: 9.85353837402345 eV