Fe sc Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_002 2.41732572019 Optimization terminated successfully. Current function value: -3.131276 Iterations: 74 Function evaluations: 197 C11 = 271.189646 +/- 0.007336 GPa C12 = 0.000000 +/- 0.005187 GPa C44 = -16.775334 +/- 0.001834 GPa B = 90.396549 +/- 0.004235 GPa