19
Lattice="-5.149650111591323 -2.9747518768355254 0.0 0.0014826448673976834 5.946937349015233 0.0 4.24563405740624e-16 5.2636565730707605e-20 23.948647243614985" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-142.06921447696143 stress="3.135983819129674e-06 -5.014545260138381e-06 4.7736641587745596e-05 -5.014545260138381e-06 -3.333259128646825e-07 -0.00010283134715416774 4.7736641587745596e-05 -0.00010283134715416774 5.3244626211101765e-05" dipole="-0.27875792998609045 0.2725224149429352 0.04292474784611486" magmom=0.0 free_energy=-142.08959934891286 pbc="T T F"
Nb      -3.29578733       0.18327873       9.03922692        0       0.00000000      -0.00069962       0.00013570      -0.00709867       0.00000000
S       -1.75099194       1.01236911      10.70682699        0       0.00000000      -0.00498628       0.00340192       0.00011072       0.00000000
S       -3.52001038       2.03362252       7.49271903        0       0.00000000      -0.00248953      -0.00027205       0.00825120       0.00000000
Nb      -1.76529179       1.01622985      14.87760654        1       0.00000000      -0.00057017       0.00222401      -0.00471934       0.00000000
S       -3.39552553      -0.02668462      16.45474162        1       0.00000000      -0.00196718       0.00448894       0.00409224       0.00000000
S       -3.30133511       1.90315430      13.35165389        1       0.00000000       0.00361902      -0.00004423       0.00027119       0.00000000
Nb      -0.18105460       0.11041194       9.04407825        0       0.00000000      -0.00391692      -0.00414979      -0.00543996       0.00000000
S       -3.46424239      -1.98066779      10.56011625        0       0.00000000       0.00138869      -0.00219588       0.00274097       0.00000000
S        0.00345388       2.05181123       7.57557045        0       0.00000000      -0.00044951      -0.00271527      -0.00373302       0.00000000
Nb      -3.32098039      -1.97122651      14.88015116        1       0.00000000      -0.00297462      -0.00015374      -0.00382663       0.00000000
S        0.03206453      -0.02046966      16.27734581        1       0.00000000      -0.00337105       0.00180890       0.00729066       0.00000000
S        0.04134507       2.07130867      13.36981524        1       0.00000000       0.00235371       0.00160729       0.00241256       0.00000000
Nb      -1.80840234       2.76502014       9.03935883        0       0.00000000       0.00589944       0.00046773      -0.00515318       0.00000000
S       -0.01604516       3.99330237      10.55791865        0       0.00000000       0.00482745       0.00048612       0.00125022       0.00000000
S       -1.77100330      -1.02482175       7.57610986        0       0.00000000       0.00244687      -0.00215302       0.00214073       0.00000000
Nb       0.04403957       3.85879892      14.88166341        1       0.00000000       0.00069482       0.00022033      -0.00867664       0.00000000
S       -1.67772826       2.94949132      16.45478683        1       0.00000000      -0.00149558       0.00256495       0.00404915       0.00000000
S       -1.77426352      -1.07471974      13.36862258        1       0.00000000      -0.00147185      -0.00211596       0.00371346       0.00000000
Nb       0.02949722      -0.01823259      12.25382520        2       0.00000000       0.00317365      -0.00361204       0.00227786       0.00000000