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: 3.9565941 eV
Unrelaxed energy with isolated atomic energies subtracted: 4.168798240386196 eV 


Raw relaxed total potential energy: -5.2920859 eV
Relaxed energy with isolated atomic energies subtracted: -5.079881759613804 eV