Enter a species (e.g. Al, Fe): Si Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000 Enter hexagonal lattice constants 'a' and 'c' (m): 3.972562337595625e-10, 2.720487666306004e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -9.104260 Iterations: 74 Function evaluations: 190 Finished calculation C11 = 332.8488220624142 GPa C12 = 203.457344565476 GPa B = 246.58783706445539 GPa