19
Lattice="5.2067676508826075 -3.0066939036532476 0.0 5.20641533223366 3.0060836669942868 0.0 1.5752364740283707e-16 -9.422238055826946e-21 24.88347977802503" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-131.1961485661292 stress="-2.2421121461759268e-05 -2.467705689826511e-05 4.060563713079045e-06 -2.467705689826511e-05 2.810597455830467e-05 2.4543279435856155e-06 4.060563713079045e-06 2.4543279435856155e-06 3.044700303841332e-05" dipole="0.051837984035145966 0.01996510670860621 9.947382227686908e-07" magmom=0.0 free_energy=-131.2444222391569 pbc="T T F"
Nb      -0.00020109      -0.00006886       9.17413325        0       0.00000000      -0.00077281      -0.00085286      -0.00980740       0.00000000
Se       1.76377092       1.01840064      10.85001245        0       0.00000000      -0.00075156      -0.00023916      -0.00146836       0.00000000
Se       1.72683892       0.99708159       7.47890303        0       0.00000000       0.00569404       0.00347019       0.00156179       0.00000000
Nb      -0.00013771      -0.00002473      15.70932050        1       0.00000000       0.00081426       0.00072269       0.00980547       0.00000000
Se       5.20651349      -0.96954658      14.03341625        1       0.00000000      -0.00036747      -0.00289635       0.00052932       0.00000000
Se       5.20653045      -1.01221799      17.40457441        1       0.00000000      -0.00043510       0.00572870      -0.00148669       0.00000000
Nb       3.47087201      -0.00027287       9.14922999        0       0.00000000      -0.00065999      -0.00089074       0.00197085       0.00000000
Se       5.20634228       0.96884796      10.85002334        0       0.00000000       0.00036799       0.00275065      -0.00043527       0.00000000
Se       5.20633077       1.01149124       7.47889997        0       0.00000000       0.00039519      -0.00574866       0.00142789       0.00000000
Nb       3.47093094      -0.00027293      15.73423588        1       0.00000000       0.00081350       0.00074653      -0.00198196       0.00000000
Se       3.44231649       1.98754442      14.03345713        1       0.00000000       0.00075418       0.00031686       0.00143565       0.00000000
Se       3.47926497       2.00887030      17.40455257        1       0.00000000      -0.00577713      -0.00343709      -0.00154377       0.00000000
Nb       6.94192514      -0.00047799       9.14922863        0       0.00000000      -0.00085591      -0.00064264       0.00198341       0.00000000
Se       3.44248720      -1.98808681      10.85002251        0       0.00000000       0.00218292      -0.00061599      -0.00069861       0.00000000
Se       3.47940004      -2.00940590       7.47890213        0       0.00000000      -0.00485118       0.00346053       0.00145049       0.00000000
Nb       6.94198798      -0.00046774      15.73423803        1       0.00000000       0.00059814       0.00090939      -0.00202475       0.00000000
Se       1.76393228      -1.01873545      14.03345245        1       0.00000000      -0.00211133       0.00065773       0.00065182       0.00000000
Se       1.72701559      -0.99741300      17.40455103        1       0.00000000       0.00495634      -0.00342430      -0.00142966       0.00000000
Nb      -0.00016906      -0.00005496      12.44173704        2       0.00000000       0.00000592      -0.00001550      -0.00004368       0.00000000