H diamond Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 3.8307366520166397 Optimization terminated successfully. Current function value: -3.067238 Iterations: 70 Function evaluations: 185 C11 = -7104381.514620 +/- 0.007336 GPa C12 = 1.935536 +/- 0.005187 GPa C44 = -2664166.250409 +/- 0.001834 GPa B = -2368125.881182 +/- 0.004235 GPa