N diamond Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 3.950120911002159 Optimization terminated successfully. Current function value: -36.036270 Iterations: 70 Function evaluations: 180 C11 = 5943.724541 +/- 0.007336 GPa C12 = 4646.742365 +/- 0.005187 GPa C44 = 505.806836 +/- 0.001834 GPa B = 5079.069757 +/- 0.004235 GPa