H fcc Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 2.4283656924963 Optimization terminated successfully. Current function value: -0.029789 Iterations: 70 Function evaluations: 183 C11 = 516.758889 +/- 0.007336 GPa C12 = 723.383911 +/- 0.005187 GPa C44 = -216.684572 +/- 0.001834 GPa B = 654.508904 +/- 0.004235 GPa