Enter a species (e.g. Al, Fe): S Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 Enter hexagonal lattice constants 'a' and 'c' (m): 3.189279998891289e-10, 5.208072429431838e-10 Calculating isothermal bulk modulus Warning: Maximum number of function evaluations has been exceeded. Finished calculation C11 = 50.55074571640824 GPa C12 = 14.286053572272381 GPa B = 26.374284286984334 GPa