Enter a species  (e.g. Al, Fe): Ne
Enter a hexagonal lattice type (e.g. hcp): hcp
Enter a model name: LJ_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_003
Enter hexagonal lattice constants 'a' and 'c' (m): 2.98853919165217e-10, 4.879533144895204e-10

Calculating isothermal bulk modulus

Warning: Maximum number of function evaluations has been exceeded.

Finished calculation

C11 = 3.524568797176922 GPa
C12 = 0.9429989226800388 GPa
  B = 1.803522214179 GPa