16
Lattice="3.3956555518686566 2.3127341885236857e-22 0.0 -5.4327195393832157e-17 11.447531757464528 0.0 -8.480258692508995e-17 -1.5950382481247255e-28 36.86178757304633" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-103.40731956991705 stress="1.987234013157209e-06 0.0 0.0 0.0 -7.078481858910937e-06 -2.6726462338904186e-05 0.0 -2.6726462338904186e-05 7.616883016003462e-05" dipole="2.432613394469234e-13 -20.32509585967415 7.678313125668823e-07" magmom=0.0 free_energy=-103.4148346350191 pbc="T T F"
Nb       1.69782778       7.71282101      18.88661639       0.00000000       0.00000000       0.00021563      -0.00147379       0.00000000
Nb       1.69782778       3.12560188      20.18326728       0.00000000       0.00000000       0.00098366      -0.00779264       0.00000000
S        0.00000000       9.40712453      19.64197396       0.00000000       0.00000000       0.00653282       0.00719279       0.00000000
S        0.00000000       7.20642554      17.04846551       0.00000000       0.00000000      -0.00289712       0.00615192       0.00000000
S       -0.00000000       2.25356131      21.74152238       0.00000000       0.00000000      -0.00346868       0.00367709       0.00000000
S       -0.00000000       6.88301076      20.57167186       0.00000000       0.00000000       0.00237186      -0.00519183       0.00000000
S       -0.00000000       4.66261101      21.27147444       0.00000000       0.00000000       0.00396644       0.00104420       0.00000000
S        1.69782778       5.11607064      18.51501100       0.00000000       0.00000000       0.00414146      -0.00283445       0.00000000
Nb      -0.00000000       0.02058182      17.97517148       0.00000000       0.00000000      -0.00021476       0.00147184       0.00000000
Nb      -0.00000000       4.60780022      16.67851844       0.00000000       0.00000000      -0.00098397       0.00779653       0.00000000
S        1.69782778       9.77381123      17.21981259       0.00000000       0.00000000      -0.00653229      -0.00719209       0.00000000
S        1.69782778       0.52697545      19.81332320       0.00000000       0.00000000       0.00289784      -0.00615281       0.00000000
S        1.69782778       5.47984756      15.12026796       0.00000000       0.00000000       0.00346270      -0.00368108       0.00000000
S        1.69782778       0.85039157      16.29011398       0.00000000       0.00000000      -0.00237051       0.00519395       0.00000000
S        1.69782778       3.07078925      15.59031330       0.00000000       0.00000000      -0.00396413      -0.00104459       0.00000000
S       -0.00000000       2.61733061      18.34677583       0.00000000       0.00000000      -0.00413928       0.00283604       0.00000000