20
Lattice="-5.13665232455929 -2.9654484215047368 0.0 -0.0007947918889741548 5.932273381713516 0.0 3.0838798743794543e-16 -3.8132954621408465e-20 25.29189992126826" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-140.36083488572586 stress="8.161119630457173e-05 -5.754704620461354e-05 -4.018925048218945e-05 -5.754704620461354e-05 0.00012618206973362712 -9.972587483223985e-06 -4.018925048218945e-05 -9.972587483223985e-06 -0.00046792846582120615" dipole="-4.53526793756206 -7.9645798322390045 2.282182197869084e-06" magmom=0.0 free_energy=-140.39654512794266 pbc="T T F"
Nb      -3.42087563      -0.00107568       9.16766080        0       0.00000000       0.00483194      -0.00214305      -0.00786849       0.00000000
Se      -1.78138725       0.94878865      10.98823203        0       0.00000000       0.00188032       0.00049830      -0.00506582       0.00000000
Se      -3.42622707       2.00350207       7.50413083        0       0.00000000      -0.00294051      -0.00535735      -0.00759434       0.00000000
Nb      -3.42740530      -0.00211815      16.12440734        1       0.00000000      -0.00308552      -0.00271547       0.00786724       0.00000000
Se      -1.69085767       1.00138001      17.78798533        1       0.00000000      -0.00392096      -0.00228624       0.00870562       0.00000000
Se      -3.42493335       1.89857649      14.30492747        1       0.00000000      -0.00183645       0.00132846       0.00706885       0.00000000
Nb      -0.00064105       0.00472939       9.21916220        0       0.00000000      -0.00091044       0.00716621      -0.00156752       0.00000000
Se      -3.42438573      -1.89777840      10.98760550        0       0.00000000       0.00193919      -0.00068136      -0.00656021       0.00000000
Se      -0.02270496       1.96543235       7.50414876        0       0.00000000       0.00278772       0.00352280      -0.00871840       0.00000000
Nb      -0.00067602       0.00403764      16.07294078        1       0.00000000      -0.00176752       0.00587413       0.00137323       0.00000000
Se      -3.42355090      -2.00415652      17.78764515        1       0.00000000       0.00247599       0.00372424       0.00712405       0.00000000
Se       0.06880615       2.01699454      14.30373184        1       0.00000000      -0.00150678      -0.00083270       0.00492346       0.00000000
Nb      -1.71651878       2.96263940       9.21913822        0       0.00000000      -0.00456394      -0.00479794      -0.00141224       0.00000000
Se       0.06763597       3.91514706      10.98661900        0       0.00000000      -0.00035400       0.00203469      -0.00790362       0.00000000
Se      -1.68845133      -1.00267608       7.50478724        0       0.00000000      -0.00358262       0.00052591      -0.00688840       0.00000000
Nb      -1.70888901       2.96440148      16.07291247        1       0.00000000       0.00542249      -0.00300884       0.00149887       0.00000000
Se      -0.02314097       3.96884984      17.78752897        1       0.00000000       0.00522375      -0.00009043       0.00732408       0.00000000
Se      -1.78067206      -0.94921329      14.30511539        1       0.00000000      -0.00007413      -0.00205714       0.00737943       0.00000000
Nb       0.00012786      -0.00098684      12.64603150        2       0.00000000       0.00058808      -0.00265688       0.00003434       0.00000000
Nb      -1.71282146       2.96679798      12.64604290        2       0.00000000      -0.00060550       0.00195077       0.00000864       0.00000000