3 Lattice="2.6628193243009317 -1.4631293306696483e-19 0.0 6.2593423923499936e-18 2.6628194231142523 0.0 8.842972740636505e-18 0.0 18.351686142824235" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-11.161561218047968 dipole="-1.0296579767086759e-15 -7.208292280783777e-15 -1.339878838465863e-09" free_energy=-11.1687128626403 pbc="T T F" Cu 0.00000000 0.00000000 9.17584317 0.00000000 S -0.00000000 1.33140971 11.09416982 0.00000000 S 1.33140966 -0.00000000 7.25751649 0.00000000