Elements: Si
Masses in g/mol (must match order of elements above): 28.0855
Model: ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_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: 4.4381531 eV
Unrelaxed energy with isolated atomic energies subtracted: 4.4381531 eV 


Raw relaxed total potential energy: -12.437183 eV
Relaxed energy with isolated atomic energies subtracted: -12.437183 eV