5
Lattice="3.831223874382509 0.02811219472871134 2.625138847798245e-16 -1.7014276191260769 3.1545339015737124 2.660497742152003e-16 -1.8848420134405215e-15 -6.893407078003515e-18 20.915596494720948" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-32.60280310137588 stress="5.445176307129842e-05 -6.203390361348764e-05 5.138271766968068e-05 -6.203390361348764e-05 9.55820024593702e-05 9.098125333433192e-06 5.138271766968068e-05 9.098125333433192e-06 6.087330661719614e-05" dipole="5.7801653403499476 -8.649873086539575 -0.014259125641300992" magmom=0.0 free_energy=-32.60513617381852 pbc="T T F"
O       -0.51831287       2.45343522      10.30151622       0.00000000      -0.00455870      -0.00022456       0.00428961       0.00000000
I        3.45458190       0.52358893       7.50000000       0.00000000       0.00438973       0.00244466       0.00290901       0.00000000
I        1.94207038       1.74101823      13.41559649       0.00000000       0.00133469       0.00314357       0.00251987       0.00000000
Nb       1.55913486       1.53775022       9.53100369       0.00000000       0.00184467      -0.00037586      -0.00705420       0.00000000
Nb       0.01447628       0.70494186      11.35736503       0.00000000      -0.00314414      -0.00502803      -0.00238856       0.00000000