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: -12.65297937967288 eV Raw unrelaxed total potential energy: -16.051116 eV Unrelaxed energy with isolated atomic energies subtracted: -3.3981366203271204 eV Raw relaxed total potential energy: -16.517194 eV Relaxed energy with isolated atomic energies subtracted: -3.86421462032712 eV