C diamond Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 3.63133816421032 Optimization terminated successfully. Current function value: -70.599997 Iterations: 70 Function evaluations: 182 C11 = 49622.156814 +/- 0.007336 GPa C12 = 49154.826957 +/- 0.005187 GPa C44 = 450.076089 +/- 0.001834 GPa B = 49310.603576 +/- 0.004235 GPa