O diamond Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001 4.004618152976036 Optimization terminated successfully. Current function value: -11.818391 Iterations: 69 Function evaluations: 186 C11 = 569.112048 +/- 0.007336 GPa C12 = 108.696795 +/- 0.005187 GPa C44 = 196.770036 +/- 0.001834 GPa B = 262.168546 +/- 0.004235 GPa