Elements: Si
Masses in g/mol (must match order of elements above): 28.0855
Model: SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002
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: 5.0422535 eV
Unrelaxed energy with isolated atomic energies subtracted: 5.0422535 eV 


Raw relaxed total potential energy: -9.5001568 eV
Relaxed energy with isolated atomic energies subtracted: -9.5001568 eV