H bcc Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 2.818680256605149 Optimization terminated successfully. Current function value: -0.060445 Iterations: 85 Function evaluations: 226 C11 = 1.675100 +/- 0.007336 GPa C12 = 1.608508 +/- 0.005187 GPa C44 = 1.608520 +/- 0.001834 GPa B = 1.630705 +/- 0.004235 GPa