20 Lattice="7.790941 -0.0 0.428742 0.0 11.407025 -0.0 -2.241081 0.0 5.306732" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-2190.91080443 dipole="1.02815071 -18.52981215 -4.25808389" pbc="T T T" Ag 0.00000000 4.14110000 -0.00000000 0.00000000 Ag 0.00000000 7.26590000 -0.00000000 0.00000000 Ag 3.89550000 9.84460000 0.21440000 0.00000000 Ag 3.89550000 1.56240000 0.21440000 0.00000000 Bi 4.89760000 0.00000000 3.99220000 0.00000000 Bi 0.65230000 0.00000000 1.74320000 0.00000000 Bi 1.00210000 5.70350000 3.77790000 0.00000000 Bi 4.54770000 5.70350000 1.95760000 0.00000000 S 0.06530000 0.00000000 4.15640000 0.00000000 S 5.48460000 0.00000000 1.57900000 0.00000000 S 3.96080000 5.70350000 4.37080000 0.00000000 S 1.58910000 5.70350000 1.36470000 0.00000000 S 3.26010000 2.17060000 3.77730000 0.00000000 S 3.26010000 9.23640000 3.77730000 0.00000000 S 2.28970000 9.23640000 1.95820000 0.00000000 S 2.28970000 2.17060000 1.95820000 0.00000000 S -0.63540000 7.87420000 3.56290000 0.00000000 S -0.63540000 3.53290000 3.56290000 0.00000000 S 6.18520000 3.53290000 2.17260000 0.00000000 S 6.18520000 7.87420000 2.17260000 0.00000000