S fcc SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 4.6860006526112565 Optimization terminated successfully. Current function value: -11.380050 Iterations: 74 Function evaluations: 196 C11 = 629.856001 +/- 0.007336 GPa C12 = 609.547217 +/- 0.005187 GPa C44 = 121.112034 +/- 0.001834 GPa B = 616.316812 +/- 0.004235 GPa