5 Lattice="6.096011 2.296887 -0.593867 2.565906 4.508945 -0.278926 -0.695215 -0.010634 5.701694" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-547.624727533 dipole="-20.19010451 -19.13082771 -9.37818734" pbc="T T T" Ag 0.66380000 0.96870000 -0.06000000 0.00000000 Bi 4.29210000 2.79300000 2.29960000 0.00000000 S 1.13780000 0.95420000 3.38620000 0.00000000 S 4.34550000 3.22610000 -0.19720000 0.00000000 S 1.57500000 2.31420000 1.85710000 0.00000000