Se diamond Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000 6.65678407996893 Optimization terminated successfully. Current function value: -16.271393 Iterations: 71 Function evaluations: 186 C11 = 35.875712 +/- 0.007336 GPa C12 = 31.852345 +/- 0.005187 GPa C44 = -4.094661 +/- 0.001834 GPa B = 33.193467 +/- 0.004235 GPa