C diamond Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 3.618837259709835 Optimization terminated successfully. Current function value: -69.035992 Iterations: 79 Function evaluations: 208 C11 = 46087.727348 +/- 0.007336 GPa C12 = 45611.013251 +/- 0.005187 GPa C44 = 438.809373 +/- 0.001834 GPa B = 45769.917950 +/- 0.004235 GPa