H diamond Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 3.554999202489853 Optimization terminated successfully. Current function value: -3.099924 Iterations: 70 Function evaluations: 181 C11 = -17066264.922271 +/- 0.007336 GPa C12 = 1274.014790 +/- 0.005187 GPa C44 = -6399596.073677 +/- 0.001834 GPa B = -5687905.630897 +/- 0.004235 GPa