Fe sc Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000 2.283473514020443 Optimization terminated successfully. Current function value: -3.777298 Iterations: 1064 Function evaluations: 3169 C11 = 686.961302 +/- 0.007336 GPa C12 = -33.945523 +/- 0.005187 GPa C44 = 95.245487 +/- 0.001834 GPa B = 206.356752 +/- 0.004235 GPa