20
Lattice="6.375273 -0.0 -0.0 0.0 6.363357 -0.0 -0.0 -0.0 9.270779" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-1944.06146442 dipole="-0.77192798 -4.38966494 -28.58635358" pbc="T T T"
Ag       3.59680000       3.14460000      -0.05120000       0.00000000
Ag       2.77840000       3.21880000       4.58420000       0.00000000
Ag       5.96610000       6.32630000       4.58420000       0.00000000
Ag       0.40920000       0.03710000      -0.05120000       0.00000000
Ta       2.93710000       0.00540000       7.17430000       0.00000000
Ta       3.43820000       6.35790000       2.53890000       0.00000000
Ta       6.62580000       3.18710000       2.53890000       0.00000000
Ta      -0.25060000       3.17620000       7.17430000       0.00000000
S        5.38380000       1.08220000       1.81540000       0.00000000
S        0.99150000       5.28120000       6.45080000       0.00000000
S        4.17910000       4.26380000       6.45080000       0.00000000
S        2.19610000       2.09950000       1.81540000       0.00000000
S        5.16360000       1.07630000       7.55800000       0.00000000
S        1.21170000       5.28700000       2.92260000       0.00000000
S        4.39930000       4.25800000       2.92260000       0.00000000
S        1.97600000       2.10540000       7.55800000       0.00000000
S        3.46810000       0.73680000       4.78100000       0.00000000
S        2.90720000       5.62660000       0.14570000       0.00000000
S        6.09480000       3.91840000       0.14570000       0.00000000
S        0.28050000       2.44490000       4.78100000       0.00000000