Fe fcc Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000 3.522514119744301 Optimization terminated successfully. Current function value: -17.134470 Iterations: 1064 Function evaluations: 3166 C11 = 163.514181 +/- 0.007336 GPa C12 = 135.615694 +/- 0.005187 GPa C44 = 55.017128 +/- 0.001834 GPa B = 144.915190 +/- 0.004235 GPa