20
Lattice="5.152414132616684 -2.974824127515296 0.0 5.152357230025006 2.9747255693355523 0.0 2.555450793586775e-16 -1.1751739477261828e-21 25.1874341956867" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-141.98276966076577 stress="-6.448039532061488e-08 -5.049871626106318e-06 2.1218811786064753e-06 -5.049871626106318e-06 7.4279830343424715e-06 2.944087390545401e-06 2.1218811786064753e-06 2.944087390545401e-06 -4.3074130215228324e-05" dipole="8.285783083566647 0.062349680821808126 1.9141669709451055e-07" magmom=0.0 free_energy=-142.01221277608389 pbc="T T F"
Nb      -0.00003081      -0.00025565       9.19091061        0       0.00000000      -0.00060443       0.00057150       0.00397954       0.00000000
Se       1.71742803       1.06508775      10.90726729        0       0.00000000       0.00009197      -0.00076690      -0.00119041       0.00000000
Se       1.71735330       0.96579949       7.48795709        0       0.00000000       0.00028524      -0.00739141      -0.00420910       0.00000000
Nb       0.00006913      -0.00020619      15.99657711        1       0.00000000      -0.00013524       0.00025821      -0.00411250       0.00000000
Se       5.21623098      -0.95502652      14.28015609        1       0.00000000      -0.00035936      -0.00007172       0.00121472       0.00000000
Se       5.13026643      -1.00457948      17.69946019        1       0.00000000      -0.00654383      -0.00373867       0.00393908       0.00000000
Nb       3.43486512      -0.00020172       9.19083901        0       0.00000000      -0.00026216      -0.00116742       0.00436164       0.00000000
Se       5.21612397       0.95443427      10.90717897        0       0.00000000       0.00027532       0.00057817      -0.00085341       0.00000000
Se       5.13021010       1.00407959       7.48796465        0       0.00000000      -0.00614037       0.00378582      -0.00420183       0.00000000
Nb       3.43492829      -0.00016579      15.99648460        1       0.00000000       0.00035073      -0.00034277      -0.00331675       0.00000000
Se       3.37115717       2.01987210      14.28013830        1       0.00000000      -0.00034734      -0.00046003       0.00167855       0.00000000
Se       3.45699648       1.97025314      17.69945589        1       0.00000000       0.00664975      -0.00418182       0.00399118       0.00000000
Nb       6.86981848      -0.00033320       9.14140878        0       0.00000000      -0.00011246       0.00056110       0.00416557       0.00000000
Se       3.37102989      -2.02025191      10.90734556        0       0.00000000       0.00107590       0.00012997      -0.00186194       0.00000000
Se       3.45702479      -1.97070066       7.48794964        0       0.00000000       0.00648802       0.00389020      -0.00361729       0.00000000
Nb       6.86982230      -0.00025293      16.04603296        1       0.00000000       0.00064272       0.00000654      -0.00486394       0.00000000
Se       1.71750549      -1.06550133      14.28016403        1       0.00000000      -0.00002076       0.00034612       0.00120283       0.00000000
Se       1.71755234      -0.96630091      17.69948456        1       0.00000000      -0.00030884       0.00784223       0.00387007       0.00000000
Nb       0.00004942      -0.00029664      12.59370748        2       0.00000000      -0.00032637       0.00046659      -0.00038919       0.00000000
Nb       3.43499002      -0.00015294      12.59370066        2       0.00000000      -0.00069880      -0.00031565       0.00026397       0.00000000