Enter a species (e.g. Al, Fe): Ba 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): 4.182016687823325e-10, 6.829340953937308e-10 Calculating isothermal bulk modulus Warning: Maximum number of function evaluations has been exceeded. Finished calculation C11 = 779.3427151283853 GPa C12 = 208.5775010491616 GPa B = 398.8325724089028 GPa