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: -25.305958759345764 eV Raw total energy: -41.571348 eV Total energy with isolated atomic energies subtracted: -16.265389240654237 eV