3 Lattice="2.864712939746245 -1.2102290362451965e-18 0.0 -1.2937101084782796e-18 2.8647129237284767 0.0 -7.058462824440452e-18 0.0 18.5638181771802" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-10.558887708205347 dipole="2.5357616647673047e-15 2.9478330927392757e-16 2.839283778317852e-10" free_energy=-10.565160574242853 pbc="T T F" Cu -0.00000000 -0.00000000 9.28190910 0.00000000 Se -0.00000000 1.43235646 11.27393501 0.00000000 Se 1.43235647 -0.00000000 7.28988321 0.00000000