Ta diamond Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 4.58149404078722 Optimization terminated successfully. Current function value: -44.203673 Iterations: 78 Function evaluations: 206 C11 = 311.868252 +/- 0.007336 GPa C12 = 145.923119 +/- 0.005187 GPa C44 = 29.931289 +/- 0.001834 GPa B = 201.238163 +/- 0.004235 GPa