Enter a species (e.g. Al, Fe): Hg Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 Enter hexagonal lattice constants 'a' and 'c' (m): 3.264004536438734e-10, 5.330097088269627e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -1.211999 Iterations: 75 Function evaluations: 197 Finished calculation C11 = 284.10986745699756 GPa C12 = 155.86781809721165 GPa B = 198.61516788380692 GPa