| 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 |