19
Lattice="-5.424369358066292 -3.0956751491071324 0.0 0.0008859493691808597 6.189847513633889 0.0 -2.6047981306450884e-16 -9.560982766035717e-22 24.557313933583156" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-130.2051091491386 stress="-1.1601553635273295e-05 1.1080958243809521e-05 -0.00011371987787092652 1.1080958243809521e-05 1.9009951566755236e-05 -4.010300040325979e-06 -0.00011371987787092652 -4.010300040325979e-06 4.092161066101339e-05" dipole="-0.00613367812563597 -3.4792677164911994 0.011618806172206998" magmom=0.0 free_energy=-130.2214869120904 pbc="T T F"
Nb      -3.48642665      -0.14003207       9.18573202        0       0.00000000      -0.00167504      -0.00074897      -0.00218938       0.00000000
Se      -1.91851578       1.05569447      10.92577116        0       0.00000000      -0.00051071      -0.00122589       0.00271011       0.00000000
Se      -3.71438162       2.11167194       7.65171388        0       0.00000000      -0.00142236       0.00105037      -0.00103223       0.00000000
Nb      -1.45085170       1.02861234      15.27808916        1       0.00000000       0.00344815       0.00165561      -0.00229030       0.00000000
Se      -3.52209014      -0.07015558      16.88998794        1       0.00000000       0.00740814       0.00215304       0.00084721       0.00000000
Se      -3.56762499       1.98338429      13.83464888        1       0.00000000       0.00502168      -0.00266124       0.00147389       0.00000000
Nb       0.00698981       0.39471453       9.32394257        0       0.00000000      -0.00192729      -0.00158398      -0.00604766       0.00000000
Se      -3.49887885      -2.03988312      10.92999369        0       0.00000000      -0.00294987      -0.00109558       0.00196767       0.00000000
Se       0.00130579       2.22767863       7.55889338        0       0.00000000      -0.00121480       0.00418525       0.00831701       0.00000000
Nb      -3.97856614      -2.06702547      15.27843077        1       0.00000000       0.00032377       0.00155786      -0.00226724       0.00000000
Se      -0.00304725      -0.13934835      17.00504582        1       0.00000000       0.00314622       0.00066512      -0.00385816       0.00000000
Se      -0.00212095       2.26745056      13.51424890        1       0.00000000       0.00097708      -0.00451296       0.00562466       0.00000000
Nb      -1.94006355       2.95662128       9.18714412        0       0.00000000      -0.00156462      -0.00134651      -0.00325418       0.00000000
Se       0.00299591       4.22379675      10.71744508        0       0.00000000      -0.00170652      -0.00067372       0.00276448       0.00000000
Se      -1.70239450      -0.98356799       7.65899832        0       0.00000000      -0.00161651       0.00080426      -0.00185368       0.00000000
Nb      -0.00245426       3.81633962      15.42251947        1       0.00000000       0.00015366      -0.00000649      -0.00058543       0.00000000
Se      -1.90758136       3.02530693      16.88989098        1       0.00000000      -0.00296492       0.00143508       0.00164097       0.00000000
Se      -1.85990780      -1.11022105      13.83382713        1       0.00000000      -0.00343369      -0.00268202      -0.00014209       0.00000000
Nb      -0.00045564       0.02358914      12.49427755        2       0.00000000       0.00050876       0.00311935      -0.00171803       0.00000000