4 Lattice="4.213018172510542 6.013902190452282e-19 0.0 -3.11312100011572e-17 4.215677833809644 0.0 -3.551203738704053e-17 0.0 17.93684704" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-25.152044170453195 dipole="5.192091308459854e-08 0.002531664100773032 -1.8605809959574768e-05" free_energy=-25.16124005663203 pbc="T T F" Zr -0.00000000 -0.00010825 8.96853197 0.00000000 Se 0.00000000 2.10980702 10.77412831 0.00000000 Zr 2.10650909 2.10745995 8.96853596 0.00000000 Se 0.00000000 2.10545174 7.16304948 0.00000000