Enter a species (e.g. Al, Fe): Si Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_004 Enter hexagonal lattice constants 'a' and 'c' (m): 2.748492042440921e-10, 4.488268710720149e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -6.665959 Iterations: 73 Function evaluations: 186 Finished calculation C11 = 773.7797372941485 GPa C12 = 639.8498881749965 GPa B = 684.4931712147138 GPa