O diamond Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 4.025439292192459 Optimization terminated successfully. Current function value: -20.138571 Iterations: 72 Function evaluations: 193 C11 = 7569.834718 +/- 0.007336 GPa C12 = 7252.987363 +/- 0.005187 GPa C44 = 62.790253 +/- 0.001834 GPa B = 7358.603148 +/- 0.004235 GPa