Enter a species (e.g. Al, Fe): Ar Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_003 Enter hexagonal lattice constants 'a' and 'c' (m): 3.711661823728253e-10, 6.061239246128129e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -0.173069 Iterations: 74 Function evaluations: 192 Finished calculation C11 = 6.101833845890926 GPa C12 = 1.6330496923070694 GPa B = 3.1226444101683546 GPa