H sc Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 2.433572456240654 Optimization terminated successfully. Current function value: -0.012931 Iterations: 73 Function evaluations: 188 C11 = 2.654459 +/- 0.007336 GPa C12 = -0.290988 +/- 0.005187 GPa C44 = -0.290985 +/- 0.001834 GPa B = 0.690827 +/- 0.004235 GPa