4
Lattice="3.394574596791674 0.30484573199745235 2.3107357614660506e-16 -0.5100429619328447 3.3685816003088944 2.1680061351185098e-16 9.580163445868477e-17 4.224636750318118e-18 18.599472209314165" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-31.886653094739216 stress="0.00010091168389237465 -1.6598564442936732e-05 -5.1902372933357866e-05 -1.6598564442936732e-05 -1.620824197040612e-05 0.00013172976938616128 -5.1902372933357866e-05 0.00013172976938616128 6.76754518514394e-05" dipole="0.30438698202177833 0.19372101785523604 1.1693561606100444e-05" magmom=0.0 free_energy=-31.894930719789006 pbc="T T F"
Nb       2.35209126       2.62605838       8.48529349       0.00000000      -0.00664747      -0.00207054       0.00001258       0.00000000
Nb       0.55600960       1.06603175      10.11448108       0.00000000       0.00768531       0.00206052      -0.00195076       0.00000000
S        0.73901320       0.92214702       7.49923372       0.00000000      -0.00038317       0.00882734       0.00027963       0.00000000
S        2.16921939       2.76995752      11.10033760       0.00000000      -0.00065503      -0.00881781       0.00165910       0.00000000