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Images of large HAP32 supercell models with 4 × 4 × 2 = 32 unit cell of HAP and 1408 atoms: (a) top view—along the c axis of the OH channel (a yellow line highlights the one unit cell and green lines show one 2 × 2 × 2 supercell with OH-channel in the center); (b) big HAP supercell model in isometric projection from c-axis, surrounded by water molecule layers with 1504 water molecules.
