H diamond Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 3.7209955006837854 Optimization terminated successfully. Current function value: -0.979530 Iterations: 72 Function evaluations: 187 C11 = -8621212.850953 +/- 0.007336 GPa C12 = 13.119327 +/- 0.005187 GPa C44 = -3232991.333311 +/- 0.001834 GPa B = -2873728.870766 +/- 0.004235 GPa