Defect complex calculations involved constructing supercells with two point defects at a range of pair distances (e.g nearest and farthest). We performed defect complex analysis on the lowest energy configurations, which are those with the smallest pair distance. A generalised equation R 1 + R 2 --⇀ ↽--P was used to represent their formation, where R 1 and R 2 are reactants (isolated defects) and P is the product (complex). The enthalpy change for the forward reaction