Cd diamond Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000 6.871007710695267 Optimization terminated successfully. Current function value: -5.802513 Iterations: 84 Function evaluations: 229 C11 = 19.544789 +/- 0.007336 GPa C12 = 19.849295 +/- 0.005187 GPa C44 = -0.220261 +/- 0.001834 GPa B = 19.747793 +/- 0.004235 GPa