H bcc Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 2.863769374787808 Optimization terminated successfully. Current function value: -0.036430 Iterations: 79 Function evaluations: 209 C11 = 1.193528 +/- 0.007336 GPa C12 = 1.224805 +/- 0.005187 GPa C44 = 1.224816 +/- 0.001834 GPa B = 1.214379 +/- 0.004235 GPa