Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_004 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: -6.5262168 eV Total energy with isolated atomic energies subtracted: -6.5262168 eV