Fe bcc Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 2.836713165044785 Optimization terminated successfully. Current function value: -8.970837 Iterations: 77 Function evaluations: 205 C11 = 282.805449 +/- 0.007336 GPa C12 = 118.287892 +/- 0.005187 GPa C44 = 118.288247 +/- 0.001834 GPa B = 173.127078 +/- 0.004235 GPa