5 Lattice="4.189296729800823 0.0 0.0 0.0 4.189296729800823 0.0 0.0 0.0 4.189296729800823" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-22.588808558852406 pbc="T T T" W 0.00153267 0.00000000 0.00000000 -3.02721079 -3.02721079 Tl 2.11598075 2.09464836 2.09464836 0.04413517 0.04413517 N 2.09488737 0.00000000 2.09464836 0.27641115 0.27641115 O 2.09312586 2.09464836 0.00000000 0.17479207 0.17479207 O 0.02021807 2.09464836 2.09464836 0.17465801 0.17465801