Enter a species (e.g. Al, Fe): Fe Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_002 Enter hexagonal lattice constants 'a' and 'c' (m): 2.555474113447894e-10, 4.161857559889612e-10 Calculating isothermal bulk modulus Warning: Maximum number of function evaluations has been exceeded. Finished calculation C11 = 280.39008273245753 GPa C12 = 106.40387845427286 GPa B = 164.3992798803344 GPa