5 Lattice="5.7632 0.0 0.0 0.0 5.7632 0.0 0.0 0.0 5.7632" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-16.878337 dipole="-5.78690321 -5.78690321 -5.78690321" pbc="T T T" Sn 0.00170000 0.00170000 0.00170000 0.00000000 Br 2.88740000 5.76300000 5.76300000 0.00000000 Br 5.76300000 2.88740000 5.76300000 0.00000000 Br 5.76300000 5.76300000 2.88740000 0.00000000 Cs 2.88850000 2.88850000 2.88850000 0.00000000