Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: -24.215243 eV Total energy with isolated atomic energies subtracted: -24.215243 eV