Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: 127.54637 eV Total energy with isolated atomic energies subtracted: 127.54637 eV