Enter a species  (e.g. Al, Fe): Kr
Enter a hexagonal lattice type (e.g. hcp): hcp
Enter a model name: LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_003
Enter hexagonal lattice constants 'a' and 'c' (m): 3.984578128620646e-10, 6.50691868760347e-10

Calculating isothermal bulk modulus

Optimization terminated successfully.
         Current function value: -0.232990
         Iterations: 72
         Function evaluations: 187

Finished calculation

C11 = 6.639161707313768 GPa
C12 = 1.7768560380182699 GPa
  B = 3.3976245944501025 GPa