NiO AFM-seeded, sublattice-distorted control (Ni2O2, 4 atoms) — corrected geometry

Corrected replacement for file 30a9a4bb-a300-4c62-9330-c60629276c15, whose _atom_site_fract_* columns held Cartesian Å coordinates (Ni–O 1.36 Å, three neighbours); every SCF on it failed to converge. Same lattice (a=5.894, b=c=2.947 Å, α=β=γ=60°), same ±0.04 Å [111] Ni displacement, same magCIF seed (Ni0 +2 µB, Ni1 −2 µB), now with proper rocksalt geometry: six Ni–O neighbours at 2.05–2.12 Å. Negative control for /dft/magnetic/ordering with hubbard_u {"Ni": 6.2}.