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: -9.48973453475466 eV Raw unrelaxed total potential energy: -11.074345 eV Unrelaxed energy with isolated atomic energies subtracted: -1.5846104652453388 eV Raw relaxed total potential energy: -11.836979 eV Relaxed energy with isolated atomic energies subtracted: -2.347244465245339 eV