Elements: Si
Masses in g/mol (must match order of elements above): 28.0855
Model: Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
XYZ file: cluster.xyz

Isolated atomic energy for species Si: -0.0707347134620654 eV

Sum of isolated atomic energies: -0.21220414038619623 eV

Raw unrelaxed total potential energy: -0.70663005 eV
Unrelaxed energy with isolated atomic energies subtracted: -0.4944259096138038 eV 


Raw relaxed total potential energy: -4.7158902 eV
Relaxed energy with isolated atomic energies subtracted: -4.503686059613804 eV