20
Lattice="6.326188 1.1e-05 0.0 1.6e-05 9.302842 -0.0 0.0 -0.0 6.378191" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-1943.90577735 dipole="-2.76814092 0.03892024 -4.32594096" pbc="T T T"
Ag       3.50630000       2.32570000      -0.00200000       0.00000000
Ag       0.34320000       2.32570000       3.19110000       0.00000000
Ag       2.81990000       6.97720000       6.38020000       0.00000000
Ag       5.98300000       6.97720000       3.18710000       0.00000000
Ta       3.16310000       0.00000000       3.18910000       0.00000000
Ta       0.00000000       4.65140000      -0.00000000       0.00000000
Ta       3.16310000       4.65140000       3.18910000       0.00000000
Ta       0.00000000       0.00000000       0.00000000       0.00000000
S        5.25580000       4.11540000       2.11830000       0.00000000
S        2.09270000       0.53600000       1.07080000       0.00000000
S        1.07040000       8.76680000       4.25990000       0.00000000
S        4.23340000       5.18750000       5.30740000       0.00000000
S        1.07040000       5.18750000       4.25990000       0.00000000
S        4.23350000       8.76680000       5.30740000       0.00000000
S        5.25580000       0.53600000       2.11830000       0.00000000
S        2.09280000       4.11540000       1.07080000       0.00000000
S        6.03930000       2.32570000       5.67480000       0.00000000
S        2.87620000       2.32570000       3.89250000       0.00000000
S        0.28690000       6.97710000       0.70340000       0.00000000
S        3.45000000       6.97710000       2.48570000       0.00000000