4
Lattice="4.071069581802917 -1.8417398934425345e-18 0.0 2.5058019388410905e-16 4.071069581802917 0.0 4.001511793417386e-18 0.0 19.285067093990477" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-22.9961155305633 dipole="-3.388479865011194e-14 -3.428710478328313e-14 -4.292250881086081e-07" free_energy=-23.01463986877339 pbc="T T F"
I        0.00000000       0.00000000      11.63835905       0.00000000
I        2.03553479       2.03553479       7.64670595       0.00000000
Nb       2.03553479       0.00000000       9.64253159       0.00000000
Nb       0.00000000       2.03553479       9.64253159       0.00000000