Zr sc Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 2.89243131876 Optimization terminated successfully. Current function value: -6.011004 Iterations: 72 Function evaluations: 192 C11 = 231.255529 +/- 0.007336 GPa C12 = 60.652231 +/- 0.005187 GPa C44 = 3.086527 +/- 0.001834 GPa B = 117.519997 +/- 0.004235 GPa