O sc Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 4.470921441912651 Optimization terminated successfully. Current function value: -0.117898 Iterations: 68 Function evaluations: 180 C11 = 0.472483 +/- 0.007336 GPa C12 = -0.039739 +/- 0.005187 GPa C44 = -0.039739 +/- 0.001834 GPa B = 0.131002 +/- 0.004235 GPa