3 Lattice="4.037683399345984 -2.9837765741250433e-19 0.0 -5.012402724202169e-19 4.037683522529611 0.0 8.142802971384566e-19 0.0 19.171930009000633" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-17.51280842880804 dipole="-6.86889477114571e-15 -2.5143283744511337e-15 -3.885268093009192e-08" free_energy=-17.51280844823687 pbc="T T F" Zr 0.00000000 0.00000000 9.58596465 0.00000000 Se 0.00000000 2.01884176 11.14230535 0.00000000 Se 2.01884170 0.00000000 8.02962396 0.00000000