Nb sc Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 2.454967796802521 Optimization terminated successfully. Current function value: -6.445860 Iterations: 82 Function evaluations: 221 C11 = 672.795037 +/- 0.007336 GPa C12 = 9.507558 +/- 0.005187 GPa C44 = 11.012779 +/- 0.001834 GPa B = 230.603384 +/- 0.004235 GPa