20 Lattice="7.436515 -1e-06 1e-06 -1e-06 7.327558 -0.0 1e-06 -0.0 8.433497" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-2190.14631072 dipole="-3.0569854 -5.97293867 -14.98948892" pbc="T T T" Ag 4.24560000 3.91820000 0.16230000 0.00000000 Ag 3.19090000 3.40930000 4.37910000 0.00000000 Ag 6.90910000 7.58200000 4.37910000 0.00000000 Ag 0.52740000 -0.25450000 0.16230000 0.00000000 Bi 3.70850000 0.07860000 6.42460000 0.00000000 Bi 3.72800000 7.24900000 2.20790000 0.00000000 Bi 7.44620000 3.74240000 2.20790000 0.00000000 Bi -0.00970000 3.58520000 6.42460000 0.00000000 S 5.45250000 1.87810000 1.01970000 0.00000000 S 1.98400000 5.44950000 5.23650000 0.00000000 S 5.70230000 5.54190000 5.23650000 0.00000000 S 1.73420000 1.78570000 1.01970000 0.00000000 S 6.13810000 1.26180000 7.55590000 0.00000000 S 1.29840000 6.06580000 3.33910000 0.00000000 S 5.01670000 4.92560000 3.33910000 0.00000000 S 2.41990000 2.40200000 7.55590000 0.00000000 S 4.68890000 1.46820000 4.19280000 0.00000000 S 2.74760000 5.85930000 -0.02400000 0.00000000 S 6.46580000 5.13200000 -0.02400000 0.00000000 S 0.97070000 2.19550000 4.19280000 0.00000000