H bcc Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 2.818680256605149 Optimization terminated successfully. Current function value: -0.060445 Iterations: 94 Function evaluations: 256 C11 = 1.675103 +/- 0.007336 GPa C12 = 1.608501 +/- 0.005187 GPa C44 = 1.608520 +/- 0.001834 GPa B = 1.630702 +/- 0.004235 GPa