Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 XYZ file: cluster.xyz Isolated atomic energy for species Si: -3.16324484491822 eV Sum of isolated atomic energies: -18.97946906950932 eV Raw unrelaxed total potential energy: -7.7913631 eV Unrelaxed energy with isolated atomic energies subtracted: 11.188105969509321 eV Raw relaxed total potential energy: -27.302111 eV Relaxed energy with isolated atomic energies subtracted: -8.32264193049068 eV