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: cluster.xyz

Isolated atomic energy for species Si: 0.0 eV

Sum of isolated atomic energies: 0.0 eV

Raw unrelaxed total potential energy: 41.938988 eV
Unrelaxed energy with isolated atomic energies subtracted: 41.938988 eV 


Raw relaxed total potential energy: -21.638653 eV
Relaxed energy with isolated atomic energies subtracted: -21.638653 eV