Enter a species (e.g. Al, Fe): Mo Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000 Enter hexagonal lattice constants 'a' and 'c' (m): 2.868647132443907e-10, 4.672110441316378e-10 Calculating isothermal bulk modulus Warning: Maximum number of function evaluations has been exceeded. Finished calculation C11 = 276.3725273548935 GPa C12 = 188.24658174787956 GPa B = 217.62189695021755 GPa