Fe sc Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003 2.417325720191002 Optimization terminated successfully. Current function value: -3.131276 Iterations: 88 Function evaluations: 239 C11 = 271.189644 +/- 0.007336 GPa C12 = -0.000000 +/- 0.005187 GPa C44 = -16.775333 +/- 0.001834 GPa B = 90.396548 +/- 0.004235 GPa