21
Lattice="-4.94769674886475 -2.8566090711812513 0.0 0.0001523492412973351 5.712954317123768 0.0 2.87719541556099e-16 -3.2448248846032843e-21 27.245434326578152" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-165.54830386719547 stress="4.2622081604861245e-06 4.214660795409838e-06 -2.6046988674090555e-05 4.214660795409838e-06 8.820954817327326e-08 -2.733017878850069e-06 -2.6046988674090555e-05 -2.733017878850069e-06 7.5663737651971e-05" dipole="0.00920744001964638 0.03881168337058945 8.604381417631219e-07" magmom=0.0 free_energy=-165.57818892840584 pbc="T T F"
Nb      -3.29839673      -0.00022733      10.30994524        0       0.00000000      -0.00051774      -0.00027482      -0.00465537       0.00000000
S       -1.64972807       0.95171296      11.94835411        0       0.00000000       0.00387097       0.00170209       0.00215876       0.00000000
S       -1.64861273       0.95165038       8.72979460        0       0.00000000      -0.00349097       0.00229867       0.00239469       0.00000000
Nb      -3.29851480       0.00008807      16.93532909        1       0.00000000      -0.00053833      -0.00284052       0.00785354       0.00000000
S       -3.29808367       1.90433065      15.29753457        1       0.00000000      -0.00309555      -0.00101405      -0.00151859       0.00000000
S       -3.29872965       1.90404220      18.51652059        1       0.00000000       0.00202463      -0.00098004      -0.00638974       0.00000000
Nb       0.00018671      -0.00006197      10.31037786        0       0.00000000      -0.00190207      -0.00101864      -0.00699364       0.00000000
S       -3.29883309      -1.90429104      11.94815247        0       0.00000000       0.00336373      -0.00213974       0.00258383       0.00000000
S       -3.29807673      -1.90460412       8.72970923        0       0.00000000      -0.00296766      -0.00058196       0.00316758       0.00000000
Nb       0.00000391      -0.00046522      16.93573495        1       0.00000000      -0.00126316       0.00192291       0.00587374       0.00000000
S       -0.00009240       1.90398680      15.29780255        1       0.00000000      -0.00066215       0.00071986      -0.00394984       0.00000000
S        0.00037582       1.90394926      18.51549469        1       0.00000000      -0.00348691       0.00183267       0.00235062       0.00000000
Nb      -1.64929509       2.85601173      10.31023556        0       0.00000000       0.00103417       0.00202406      -0.00613793       0.00000000
S       -0.00028209       3.80825904      11.94784813        0       0.00000000       0.00327490       0.00130824       0.00508736       0.00000000
S       -0.00002449       3.80876047       8.73004264        0       0.00000000       0.00084214      -0.00245560       0.00049400       0.00000000
Nb      -1.64938832       2.85622468      16.93590147        1       0.00000000       0.00114856       0.00013921       0.00434984       0.00000000
S       -1.64894493      -0.95231829      15.29791540        1       0.00000000      -0.00402854      -0.00092249      -0.00475456       0.00000000
S       -1.65010655      -0.95233160      18.51592895        1       0.00000000       0.00570999       0.00058241      -0.00146058       0.00000000
Nb      -1.64922738       2.85670111      13.62285793        2       0.00000000       0.00027468      -0.00276826       0.00034383       0.00000000
Nb       0.00002577      -0.00046018      13.62281769        2       0.00000000      -0.00094802       0.00152552       0.00072528       0.00000000
Nb      -3.29883383      -0.00037140      13.62315790        2       0.00000000       0.00135742       0.00094049      -0.00158744       0.00000000