Nb diamond Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000 5.811939299106598 Optimization terminated successfully. Current function value: -45.367353 Iterations: 87 Function evaluations: 235 C11 = -2724037.549716 +/- 0.007336 GPa C12 = 232.070191 +/- 0.005187 GPa C44 = -1021579.480883 +/- 0.001834 GPa B = -907857.803111 +/- 0.004235 GPa