Fe fcc Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003 3.6111526265740403 Optimization terminated successfully. Current function value: -16.998539 Iterations: 71 Function evaluations: 187 C11 = 205.001157 +/- 0.007336 GPa C12 = 143.866390 +/- 0.005187 GPa C44 = 100.519726 +/- 0.001834 GPa B = 164.244646 +/- 0.004235 GPa