Fe bcc Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000 2.859877958893776 Optimization terminated successfully. Current function value: -8.697343 Iterations: 71 Function evaluations: 188 C11 = 222.952533 +/- 0.007336 GPa C12 = 145.424644 +/- 0.005187 GPa C44 = 117.906632 +/- 0.001834 GPa B = 171.267274 +/- 0.004235 GPa