Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: -3.16324484491822 eV Sum of isolated atomic energies: -202.44767007476594 eV Raw total energy: -297.55523 eV Total energy with isolated atomic energies subtracted: -95.10755992523406 eV