--------------------------------------------------------------------
  NaCl Pm-3m (a = 4.0 bohr) — 48 operations
--------------------------------------------------------------------
  First three rotations (fractional basis):
    op 0:  [[1, 0, 0], [0, 1, 0], [0, 0, 1]]
    op 1:  [[-1, 0, 0], [0, -1, 0], [0, 0, -1]]
    op 2:  [[0, -1, 0], [1, 0, 0], [0, 0, 1]]

--------------------------------------------------------------------
  SYM2c — overlap LatticeMatrixSet (515 cells, 18 AOs)
--------------------------------------------------------------------
  n_triples        = 2060    (cells × atom-pairs)
  n_orbits         = 108
  compression      = 19.07×
  orbit sizes      = min 1, max 48, mean 19.1
  max block error  = 4.441e-16   (S = reconstruct(compress(S)) to machine precision)

--------------------------------------------------------------------
  SYM2b — single-atom Mg primitive cubic (origin-fixed path)
--------------------------------------------------------------------
  n_cells          = 515
  n_orbits         = 27
  compression      = 19.07×
  max block error  = 4.441e-16
  (SYM2b's compression equals SYM2c on this cell because the single-atom primitive has only the trivial atom-pair.)

--------------------------------------------------------------------
  SYM1 — real-basis Wigner-D at l=2, 90°-about-z rotation
--------------------------------------------------------------------
  Cartesian rotation matrix:
    [+0.00  -1.00  +0.00]
    [+1.00  +0.00  +0.00]
    [+0.00  +0.00  +1.00]
  D (real d-basis, rows/cols in order d_{-2}, d_{-1}, d_0, d_{+1}, d_{+2}):
    [-1.0000  +0.0000  +0.0000  +0.0000  +0.0000]
    [+0.0000  +0.0000  +0.0000  +1.0000  +0.0000]
    [+0.0000  +0.0000  +1.0000  +0.0000  +0.0000]
    [+0.0000  -1.0000  +0.0000  +0.0000  +0.0000]
    [-0.0000  +0.0000  +0.0000  +0.0000  -1.0000]
  orthogonality ‖D Dᵀ − I‖_∞ = 4.441e-16