Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: SW_LeeHwang_2012GGA_Si__MO_040570764911_001 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: -21.40006 eV Total energy with isolated atomic energies subtracted: -21.40006 eV