Zn sc Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001 2.770202770829201 Optimization terminated successfully. Current function value: -1.092317 Iterations: 84 Function evaluations: 230 C11 = 111.217400 +/- 0.007336 GPa C12 = 11.207147 +/- 0.005187 GPa C44 = -0.121792 +/- 0.001834 GPa B = 44.543898 +/- 0.004235 GPa