Zr sc Sim_LAMMPS_ADP_StarikovSmirnova_2021_ZrNb__SM_993852507257_000 2.8910403549671173 Optimization terminated successfully. Current function value: -6.021081 Iterations: 74 Function evaluations: 192 C11 = 441.098103 +/- 0.007336 GPa C12 = 239.788288 +/- 0.005187 GPa C44 = -10.730125 +/- 0.001834 GPa B = 306.891560 +/- 0.004235 GPa