3 Lattice="3.9430061147035316 5.797590223101014e-19 0.0 1.019106149449408e-18 3.943008774286625 0.0 -9.271744965896828e-19 0.0 18.83251875403109" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-7.0195544795285 dipole="-6.786087014158559e-15 -2.253855019372379e-15 -6.07113286664097e-08" free_energy=-7.029938454059699 pbc="T T F" Cu -0.00000000 -0.00000000 9.41625914 0.00000000 I 0.00000000 1.97150439 11.07734434 0.00000000 I 1.97150306 -0.00000000 7.75517385 0.00000000