Fe diamond Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001 5.413734883069992 Optimization terminated successfully. Current function value: -21.650274 Iterations: 69 Function evaluations: 178 C11 = 41.074454 +/- 0.007336 GPa C12 = 51.564655 +/- 0.005187 GPa C44 = -408169.407418 +/- 0.001834 GPa B = 48.067921 +/- 0.004235 GPa