Fe bcc Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 2.8886456787586208 Optimization terminated successfully. Current function value: -8.357316 Iterations: 83 Function evaluations: 225 C11 = 218.668120 +/- 0.007336 GPa C12 = 142.270438 +/- 0.005187 GPa C44 = 130.107661 +/- 0.001834 GPa B = 167.736332 +/- 0.004235 GPa