Table 1.
Atom 1 | Atom 2 | Aij (eV) | Bij (1/Å) | Cij (eV·Å6) |
---|---|---|---|---|
Ca | Ca | 329,051.60 | 6.25 | 4.33 |
Ca | Si | 26,674.68 | 6.25 | 0 |
Ca | P | 164,585.80 | 12.5 | 0 |
Ca | O | 717,827.00 | 6.06 | 8.67 |
Ca | F | 496,191.60 | 6.06 | 8.67 |
Si | Si | 2162.39 | 6.25 | 0 |
Si | P | 1081.60 | 12.5 | 0 |
Si | F | 43,406.00 | 6.06 | 0 |
Si | O | 62,794.37 | 6.06 | 0 |
P | P | 0 | 0.0 | 0 |
P | F | 365,232.88 | 11.8 | 0 |
P | O | 1847.70 | 3.45 | 0 |
F | F | 730,722.80 | 5.88 | 17.34 |
F | O | 1,046,135.40 | 5.88 | 17.34 |
O | O | 1,497,049.00 | 5.88 | 17.34 |