5 Lattice="5.11841 0.0 0.0 0.0 5.11841 0.0 0.0 0.0 5.11841" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-544.012417992 dipole="-3.7522249 -3.7522249 -3.7522249" pbc="T T T" Ag 0.00000000 0.00000000 0.00000000 0.00000000 Bi 2.55920000 2.55920000 2.55920000 0.00000000 S 2.55920000 0.00000000 2.55920000 0.00000000 S 2.55920000 2.55920000 0.00000000 0.00000000 S 0.00000000 2.55920000 2.55920000 0.00000000