H sc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 2.7464960813522343 Optimization terminated successfully. Current function value: -0.014056 Iterations: 71 Function evaluations: 185 C11 = 1.763192 +/- 0.007336 GPa C12 = -0.202146 +/- 0.005187 GPa C44 = -0.202143 +/- 0.001834 GPa B = 0.452967 +/- 0.004235 GPa