Enter a species  (e.g. Al, Fe): Ar
Enter a hexagonal lattice type (e.g. hcp): hcp
Enter a model name: LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_003
Enter hexagonal lattice constants 'a' and 'c' (m): 3.7235044009243e-10, 6.083721878524124e-10

Calculating isothermal bulk modulus

Warning: Maximum number of function evaluations has been exceeded.

Finished calculation

C11 = 5.805840125005496 GPa
C12 = 1.5507518442105417 GPa
  B = 2.969114604475526 GPa