19
Lattice="-5.042770151321144 -2.911006244335129 0.0 -0.00026111249164754795 5.822464824405271 0.0 -6.7888725794461776e-18 8.421874932937267e-21 27.245434326578152" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-143.4962879969216 stress="-2.1324285773749064e-06 -1.8711947528813797e-05 6.101300734787359e-06 -1.8711947528813797e-05 -4.706603794819251e-05 3.886660226799256e-06 6.101300734787359e-06 3.886660226799256e-06 5.931758009854933e-05" dipole="3.710401954155294 -2.1049682019522664 -0.028675755948885648" magmom=0.0 free_energy=-143.52151756098993 pbc="T T F"
Nb      -3.36230770       0.03628518      10.65659264        0       0.00000000      -0.00042012      -0.00196885      -0.00156883       0.00000000
S       -1.59195653       0.91873476      12.19592886        0       0.00000000      -0.00395472       0.00219230       0.00354526       0.00000000
S       -1.67700400       0.96784213       9.08323160        0       0.00000000      -0.00126464       0.00080592      -0.00180681       0.00000000
Nb      -3.36199836       1.94096452      16.62683121        1       0.00000000      -0.00044253       0.00082007       0.00953629       0.00000000
S       -3.36188984      -0.00483462      18.17709714        1       0.00000000       0.00019089       0.00336619      -0.00115243       0.00000000
S       -3.36190286       0.00001245      15.06062112        1       0.00000000      -0.00005356       0.00109088      -0.00616542       0.00000000
Nb       0.03103949      -0.01825838      10.65657723        0       0.00000000      -0.00267134       0.00202480      -0.00173444       0.00000000
S       -3.36222315      -1.83758084      12.19594930        0       0.00000000       0.00059391      -0.00355759       0.00307046       0.00000000
S       -3.36221750      -1.93573156       9.08323782        0       0.00000000       0.00044927      -0.00233631      -0.00187143       0.00000000
Nb      -0.00007452       1.94082136      16.63150911        1       0.00000000      -0.00039121       0.00062782       0.00475690       0.00000000
S       -0.00426340       0.00249196      18.17709948        1       0.00000000       0.00329795      -0.00224025      -0.00100593       0.00000000
S       -0.00011036       0.00007596      15.06064373        1       0.00000000       0.00192418      -0.00146130      -0.00673221       0.00000000
Nb      -1.71285250       2.89307344      10.65666439        0       0.00000000       0.00172776       0.00184983      -0.00198112       0.00000000
S       -0.08981027       3.82999218      12.19601484        0       0.00000000       0.00359429       0.00124099       0.00323567       0.00000000
S       -0.00496674       3.87897388       9.08325814        0       0.00000000       0.00213244       0.00076682      -0.00198143       0.00000000
Nb      -1.68089876      -0.97036024      16.63150844        1       0.00000000      -0.00043716       0.00088221       0.00479451       0.00000000
S       -1.67671724       2.91381223      18.17707923        1       0.00000000      -0.00332990      -0.00243878      -0.00090868       0.00000000
S       -1.68099074       2.91135006      15.06057105        1       0.00000000      -0.00146296      -0.00117693      -0.00645370       0.00000000
Nb      -3.36218860       1.94091802      13.42616697        2       0.00000000       0.00051807      -0.00048859       0.00429292       0.00000000