4 Lattice="3.8575603275631916 6.149069970645948e-18 0.0 -1.9287801637815958 3.340745240300744 0.0 -3.1596964813640043e-18 0.0 18.181413714170446" Properties=species:S:1:pos:R:3 energy=-15.519815733000907 dipole="0.0162110165054273 -0.009359434743253061 4.6076635117725654e-06" free_energy=-15.52762061775044 pbc="T T F" Cu 1.92878016 1.11358175 7.72670863 Cu 1.92878016 1.11358175 10.45455920 S 0.00000000 2.22716349 7.87616243 S -0.00000000 2.22716349 10.30502789