N sc Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 2.55909726023674 Optimization terminated successfully. Current function value: -0.178310 Iterations: 74 Function evaluations: 191 C11 = 52.857488 +/- 0.007336 GPa C12 = 78.428841 +/- 0.005187 GPa C44 = 1.329840 +/- 0.001834 GPa B = 69.905057 +/- 0.004235 GPa