Enter a species (e.g. Al, Fe): Ar Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: LJ_Smoothed_Bernardes_1958_Ar__MO_764178710049_001 Enter hexagonal lattice constants 'a' and 'c' (m): 3.742230551411056e-10, 6.108079066670947e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -0.141631 Iterations: 74 Function evaluations: 193 Finished calculation C11 = 5.242866018908414 GPa C12 = 1.4106319251632709 GPa B = 2.688043289744985 GPa