Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -6.6382 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
(Space group: P-6m2 #187, Crystal system: hexagonal, Point group: -6m2)
Supercell 4x4x4 of NaCl (Space group: P-6m2, 768 symmetry operations)