Enter a species  (e.g. Al, Fe): Ar
Enter a hexagonal lattice type (e.g. hcp): hcp
Enter a model name: LJ_Shifted_Bernardes_1958HighCutoff_Ar__MO_242741380554_003
Enter hexagonal lattice constants 'a' and 'c' (m): 3.70840627099365e-10, 6.054895130472321e-10

Calculating isothermal bulk modulus

Warning: Maximum number of function evaluations has been exceeded.

Finished calculation

C11 = 6.188602873090342 GPa
C12 = 1.655761629300214 GPa
  B = 3.16670871056359 GPa