Zr fcc Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 4.539433002471924 Optimization terminated successfully. Current function value: -25.942888 Iterations: 1064 Function evaluations: 3167 C11 = 128.114522 +/- 0.007336 GPa C12 = 124.190171 +/- 0.005187 GPa C44 = 75.891268 +/- 0.001834 GPa B = 125.498288 +/- 0.004235 GPa