Fe diamond Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000 5.41373339295 Optimization terminated successfully. Current function value: -21.650294 Iterations: 70 Function evaluations: 181 C11 = 41.074402 +/- 0.007336 GPa C12 = 51.564601 +/- 0.005187 GPa C44 = -387883.253554 +/- 0.001834 GPa B = 48.067868 +/- 0.004235 GPa