C sc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 3.446565672755243 Optimization terminated successfully. Current function value: -0.135995 Iterations: 68 Function evaluations: 182 C11 = 2.396779 +/- 0.007336 GPa C12 = -0.245013 +/- 0.005187 GPa C44 = -0.245011 +/- 0.001834 GPa B = 0.635584 +/- 0.004235 GPa