Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SW_LeeHwang_2012LDA_Si__MO_517338295712_001 XYZ file: cluster.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw unrelaxed total potential energy: -1.3545088 eV Unrelaxed energy with isolated atomic energies subtracted: -1.3545088 eV Raw relaxed total potential energy: -6.9990301 eV Relaxed energy with isolated atomic energies subtracted: -6.9990301 eV