Ta sc Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000 2.5884122625 Optimization terminated successfully. Current function value: -7.181411 Iterations: 72 Function evaluations: 192 C11 = 699.075461 +/- 0.007336 GPa C12 = 138.256388 +/- 0.005187 GPa C44 = 3.493020 +/- 0.001834 GPa B = 325.196079 +/- 0.004235 GPa