Elements: Si
Masses in g/mol (must match order of elements above): ['28.0855']
Model: TorchML_NequIP_GuptaTadmorMartiniani_2024_Si__MO_196181738937_000
XYZ file: triclinicpbc.xyz

Isolated atomic energy for species Si: -2.10014099072623 eV

Sum of isolated atomic energies: -134.40902340647878 eV

Raw total energy: -314.70444 eV
Total energy with isolated atomic energies subtracted: -180.2954165935212 eV