Enter a species (e.g. Al, Fe): Si Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: SW_LeeHwang_2012LDA_Si__MO_517338295712_000 Enter hexagonal lattice constants 'a' and 'c' (m): 3.669511330075927e-10, 3.259126969974608e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -5.050765 Iterations: 71 Function evaluations: 185 Finished calculation C11 = 319.3963265060866 GPa C12 = 167.3781253260045 GPa B = 218.0508590526985 GPa