Fe diamond Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000 5.45448362082243 Optimization terminated successfully. Current function value: -20.767770 Iterations: 70 Function evaluations: 181 C11 = 36.807011 +/- 0.007336 GPa C12 = 46.316933 +/- 0.005187 GPa C44 = -14.389254 +/- 0.001834 GPa B = 43.146959 +/- 0.004235 GPa