Ca diamond Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 7.350250244140625 Optimization terminated successfully. Current function value: -22.589081 Iterations: 70 Function evaluations: 183 C11 = 56.839527 +/- 0.007336 GPa C12 = 56.627686 +/- 0.005187 GPa C44 = 0.358439 +/- 0.001834 GPa B = 56.698299 +/- 0.004235 GPa