20 Lattice="7.46485 -2e-06 -0.81888 3.660851 6.917038 -0.401589 1.010163 -3e-06 9.208604" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-2189.6755695 dipole="-8.90440882 -6.07081985 -4.60867465" pbc="T T T" Ag 4.43440000 4.75990000 7.83710000 0.00000000 Ag 5.54220000 1.30140000 0.38790000 0.00000000 Ag 6.55410000 5.27520000 4.92890000 0.00000000 Ag 8.24190000 1.81670000 2.76740000 0.00000000 Bi 3.17230000 4.97230000 2.71660000 0.00000000 Bi 5.42010000 1.51380000 5.66030000 0.00000000 Bi 6.80660000 5.06310000 0.85100000 0.00000000 Bi 1.90750000 1.60460000 7.51250000 0.00000000 S 9.89320000 4.39620000 5.59420000 0.00000000 S 3.89250000 0.93760000 2.21300000 0.00000000 S 4.30440000 2.36430000 8.10210000 0.00000000 S 9.01860000 5.82290000 -0.24420000 0.00000000 S 4.82970000 6.43860000 -0.48300000 0.00000000 S 7.73180000 2.98000000 8.42440000 0.00000000 S 2.42210000 2.18160000 1.75380000 0.00000000 S 8.55730000 5.64010000 6.36120000 0.00000000 S 3.02310000 0.75440000 5.07100000 0.00000000 S 8.42490000 4.21290000 2.99260000 0.00000000 S 7.06940000 0.13420000 3.94270000 0.00000000 S 5.15470000 3.59270000 4.03580000 0.00000000