Enter a species (e.g. Al, Fe): Zr Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Enter hexagonal lattice constants 'a' and 'c' (m): 3.403976001030378e-10, 5.558780312723561e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -50.828639 Iterations: 72 Function evaluations: 186 Finished calculation C11 = 2321.4465857090167 GPa C12 = 621.2948291473637 GPa B = 1188.0120813345814 GPa