H bcc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 3.255815759301185 Optimization terminated successfully. Current function value: -0.038016 Iterations: 77 Function evaluations: 205 C11 = 0.735064 +/- 0.007336 GPa C12 = 0.729257 +/- 0.005187 GPa C44 = 0.729264 +/- 0.001834 GPa B = 0.731193 +/- 0.004235 GPa