In environment two, when the neutral vacancy forms, the Sb atom with the shorter bond length relaxes inwards by 10.9%, while the other Sb atom relaxes outwards by 3.7% and the Zn atom relaxes outwards by 8%. The Zn atom remains in approximately the same position regardless of charge state. Upon ionisation to V + O , the first Sb atom relaxes outwards again by 11.5%, surpassing its original position, while the other Sb atom relaxes outwards by a further 8.0%. Then after the second ionisation, the first Sb relaxes away by 13.5% and the second by a further 2.7%.