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Atomic charges (Q) are in units of electrons, volumes (V) in Å3 and integrated Lagrangian (L) in atomic units. Only the unique atoms from the structural point of view are shown. The only numerically significant differences between magnetically different atoms are the spin density related properties.
| Q | V | L | |
|---|---|---|---|
| Mn | 1.53 | 9.47 | −9.1 × 10−3 |
| Sb | 1.89 | 23.0 | 2.1 × 10−3 |
| O1 | −1.30 | 14.3 | 1.5 × 10−4 |
| O2 | −1.35 | 14.3 | 3.3 × 10−4 |
