Atomic pair

A (=Hij) (eV∙Å12)

B (=Wij) (eV∙Å6)

Ca-Ca

8223.56

0.0

Ca-Ti

216.65

0.0

Ca-O

2365.84

242.64

Ti-Ti

25.22

0.0

Ti-O

374.99

0.0

O-O

684.09

0.0