12
Lattice="3.470124 0.0 0.0 -1.735062 3.005208 0.0 0.0 0.0 25.878805" Properties=species:S:1:pos:R:3:forces:R:3 energy=-79.70840880466355 stress="0.0013115509791973273 3.087906295453754e-05 2.1069772031948636e-09 3.087906295453754e-05 0.001331952167859291 -3.843994169665556e-10 2.1069772031948636e-09 -3.843994169665556e-10 0.0008761855887517405" dipole="1.003411200801237 -0.5787019386011273 0.0004085791106866041" pbc="T T T"
Nb       0.00000000       0.00000000       0.00000000      -0.00132111      -0.00046670       0.00201083
Nb       0.00000000       0.00000000       6.47783000       0.00129595       0.00051832      -0.03281974
Nb      -0.00000000       2.00342000      12.93940000       0.00131785      -0.00016571      -0.00174079
Nb       0.00000000       0.00000000      19.40097000       0.00129563       0.00052322       0.03192298
Se      -0.00000000       2.00336000       1.68464000       0.00058479       0.00029214      -0.16645762
Se       1.73506000       1.00185000       4.79811000      -0.00057431      -0.00030814       0.15984195
Se       1.73506000       1.00185000       8.16464000      -0.00073260      -0.00022720      -0.18283905
Se       0.00000000       0.00000000      11.25523000      -0.00057830       0.00004480       0.18427139
Se       0.00000000       0.00000000      14.62358000      -0.00057828       0.00004476      -0.18737055
Se       1.73506000       1.00185000      17.71417000      -0.00073264      -0.00022773       0.18535361
Se       1.73506000       1.00185000      21.08070000      -0.00057425      -0.00030884      -0.16396607
Se      -0.00000000       2.00336000      24.19416000       0.00058478       0.00029221       0.17091280