20
Lattice="6.3966 -4.8e-05 -0.638763 2.319013 6.151903 -0.231612 1.03775 -1e-06 10.390197" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-1944.61288861 dipole="-3.0997434 -9.83879114 -6.01370582" pbc="T T T"
Ta       2.93130000       3.81700000       9.30050000       0.00000000
Ta       0.91220000       0.74100000       0.80940000       0.00000000
Ta       8.31480000       5.08540000       5.33490000       0.00000000
Ta       6.97370000       2.00950000       3.63220000       0.00000000
Ag       4.08180000       4.86590000       3.02030000       0.00000000
Ag       3.28200000       1.79000000       6.73810000       0.00000000
Ag       6.23170000       4.09310000       1.38090000       0.00000000
Ag       5.71370000       1.01720000       7.92000000       0.00000000
S        3.95220000       4.03020000       7.18710000       0.00000000
S        2.33090000       0.95410000       2.67920000       0.00000000
S        3.93320000       1.85380000      10.09700000       0.00000000
S        4.05580000       4.92960000      -0.40090000       0.00000000
S        7.60590000       5.42770000      -0.04780000       0.00000000
S        7.34340000       2.35170000       9.04860000       0.00000000
S        5.56330000       1.82510000       1.76480000       0.00000000
S        7.30170000       4.90100000       7.44430000       0.00000000
S        5.00250000       0.92190000       4.77640000       0.00000000
S        6.15630000       3.99790000       4.60310000       0.00000000
S        1.57120000       0.39930000       5.79940000       0.00000000
S        2.59050000       3.47510000       4.27890000       0.00000000