Fe bcc Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_002 2.86019545048 Optimization terminated successfully. Current function value: -8.560004 Iterations: 70 Function evaluations: 186 C11 = 225.013072 +/- 0.007336 GPa C12 = 141.823073 +/- 0.005187 GPa C44 = 128.590860 +/- 0.001834 GPa B = 169.553073 +/- 0.004235 GPa