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: triclinicpbc.xyz

Isolated atomic energy for species Si: -5.25334167480469 eV

Sum of isolated atomic energies: -42.02673339843752 eV

Raw total energy: -42.331882 eV
Total energy with isolated atomic energies subtracted: -0.3051486015624789 eV