H fcc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 2.545191884040832 Optimization terminated successfully. Current function value: -1.273016 Iterations: 88 Function evaluations: 227 C11 = 964.382039 +/- 0.007336 GPa C12 = 1046.437994 +/- 0.005187 GPa C44 = -97.197998 +/- 0.001834 GPa B = 1019.086009 +/- 0.004235 GPa