Interactions

A (eV)

B (Å)

C (eV. Å6)

O2−-O2−

Zr4+-O2−

9547.96

1502.11

0.2192

0.3477

32.0

5.1

Potential 1

O2−-O2−

Zr4+-O2−

9547.96

1502.11

0.224

0.345

32.0

5.1

Potential 2

O2−-O2−

Zr4+-O2−

22.764

1453.8

0.149

0.35

112.2

0.0

L-C Potential