20
Lattice="-4.956247633275214 -2.860746121734267 0.0 -0.0003668664556833826 5.722135073780524 0.0 -4.0578445852278207e-16 1.1188620421072447e-19 27.245434326578152" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-154.85641612222923 stress="5.573531107982548e-05 -3.145796990369049e-05 1.1147699598589287e-05 -3.145796990369049e-05 -3.3918601699306146e-05 -1.1458704778545982e-05 1.1147699598589287e-05 -1.1458704778545982e-05 9.01874114450345e-05" dipole="-2.7668088292549795 -4.736204036010127 3.7804460978050825e-06" magmom=0.0 free_energy=-154.8824814750731 pbc="T T F"
Nb      -3.30437167       0.00006325      10.35115846        0       0.00000000      -0.00088757       0.00120114      -0.00308739       0.00000000
S       -1.69934123       0.92646416      12.00672999        0       0.00000000      -0.00042591      -0.00179725      -0.00130077       0.00000000
S       -1.63554193       0.96332389       8.80020853        0       0.00000000       0.00475178       0.00178087      -0.00131765       0.00000000
Nb      -3.30420181      -0.00004538      16.89457760        1       0.00000000       0.00052632      -0.00116613       0.00352898       0.00000000
S       -3.30436240       1.85299184      15.23899303        1       0.00000000      -0.00067167      -0.00036426       0.00093841       0.00000000
S       -3.30433140       1.92666974      18.44556446        1       0.00000000      -0.00042412       0.00550041       0.00120591       0.00000000
Nb      -0.00008505      -0.00010489      10.37380431        0       0.00000000      -0.00048937       0.00065713       0.00395998       0.00000000
S       -3.30423461      -1.85297508      12.00677618        0       0.00000000       0.00078125       0.00054709      -0.00112852       0.00000000
S       -3.30425309      -1.92665174       8.80018835        0       0.00000000       0.00036803      -0.00556099      -0.00115255       0.00000000
Nb       0.00011166      -0.00026867      16.87196870        1       0.00000000       0.00054995      -0.00046948      -0.00428132       0.00000000
S        0.04700685       1.93431932      15.23901891        1       0.00000000       0.00027188       0.00155977       0.00140679       0.00000000
S       -0.01680348       1.89745777      18.44556714        1       0.00000000      -0.00462707      -0.00193664       0.00096503       0.00000000
Nb      -1.65246716       2.86101441      10.37379886        0       0.00000000      -0.00019274       0.00111545       0.00407742       0.00000000
S        0.04674482       3.78742947      12.00664402        0       0.00000000       0.00161850      -0.00160232      -0.00177052       0.00000000
S       -0.01711652       3.82429560       8.80022645        0       0.00000000      -0.00384909       0.00180526      -0.00122150       0.00000000
Nb      -1.65226336       2.86088514      16.87197033        1       0.00000000       0.00066808      -0.00097331      -0.00434914       0.00000000
S       -1.69908643      -0.92665390      15.23913113        1       0.00000000      -0.00152075       0.00143084       0.00140683       0.00000000
S       -1.63520618      -0.96353140      18.44551775        1       0.00000000       0.00360221      -0.00175990       0.00154209       0.00000000
Nb      -1.65226529       2.86102924      13.62287282        2       0.00000000       0.00036690       0.00025628       0.00015355       0.00000000
Nb      -0.00007821      -0.00026127      13.62287539        2       0.00000000      -0.00041661      -0.00022385       0.00010139       0.00000000