H sc Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 2.8835339397191997 Optimization terminated successfully. Current function value: -0.007754 Iterations: 68 Function evaluations: 179 C11 = 1.016862 +/- 0.007336 GPa C12 = -0.109422 +/- 0.005187 GPa C44 = -0.109421 +/- 0.001834 GPa B = 0.266006 +/- 0.004235 GPa