20
Lattice="6.876021 0.0 -0.600473 3.396294 6.193662 -0.296593 0.960152 0.0 10.994705" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-1944.54161427 dipole="-8.8383125 -9.64018228 5.40865258" pbc="T T T"
Ag       5.00780000       4.68100000       0.96830000       0.00000000
Ag       7.46410000       1.58410000       9.02100000       0.00000000
Ag       4.13590000       4.26470000       3.79940000       0.00000000
Ag       6.11470000       1.16790000       6.38390000       0.00000000
Ta       3.01450000       0.89360000       6.25880000       0.00000000
Ta       7.98040000       3.99050000       3.85970000       0.00000000
Ta       3.71010000       1.84150000       9.77420000       0.00000000
Ta       8.05600000       4.93830000       0.27690000       0.00000000
S        6.89380000       5.57210000       2.29850000       0.00000000
S        2.21510000       2.47530000       7.98470000       0.00000000
S        7.47010000       4.07970000       9.96920000       0.00000000
S        1.45300000       0.98280000       0.33020000       0.00000000
S        4.04860000       4.09580000      10.45230000       0.00000000
S        4.87550000       0.99900000      -0.15300000       0.00000000
S        4.51980000       0.26520000       8.04260000       0.00000000
S        2.27750000       3.36200000       2.44230000       0.00000000
S        9.51230000       4.84600000       5.18200000       0.00000000
S        4.29410000       1.74910000       4.69080000       0.00000000
S        7.76200000       1.73730000       4.58930000       0.00000000
S        6.06930000       4.83420000       5.28130000       0.00000000