16
Lattice="5.007155 0.000796 0.007301 0.00102 6.788635 -0.002273 -1.138103 -0.003127 9.273671" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.2218985029712 stress="-0.00432313117366397 1.9764540770698968e-05 1.9425502151158994e-05 1.9764540770698968e-05 0.0022691663647867915 4.373948880529096e-05 1.9425502151158994e-05 4.373948880529096e-05 0.0016838370800097804" dipole="9.956085663478865e-05 -0.00016421453177473006 1.35140242196541e-05" pbc="T T T"
Nb       3.18587000       2.72561000       3.21572000       0.00412917       0.01986933      -0.00976211
Nb       3.19061000       5.77619000       3.29849000      -0.00569617      -0.03277758      -0.02706977
Nb       0.67946000       1.01011000       5.98021000       0.00580374       0.03277180       0.02703249
Nb       0.68421000       4.06069000       6.06298000      -0.00428766      -0.01981414       0.00969426
S        4.17596000       4.28487000       1.49501000       0.10231411      -0.00600278       0.17132990
S        2.15523000       4.28999000       1.54326000      -0.10180241      -0.00529935       0.16918776
S        4.19103000       0.83091000       1.75860000       0.12474567       0.01876995       0.13232653
S        2.17225000       0.82650000       1.77820000      -0.11872192       0.02099499       0.12235390
S        0.68167000       2.61572000       4.06232000      -0.00575433      -0.01657144       0.10838565
S        0.68460000       5.87792000       4.23908000      -0.00071684       0.00894459       0.06839610
S        3.18548000       0.90838000       5.03961000       0.00064873      -0.00894394      -0.06829901
S        3.18840000       4.17058000       5.21638000       0.00582930       0.01657057      -0.10838078
S        1.69782000       5.95980000       7.50050000       0.11874665      -0.02095913      -0.12234841
S       -0.32096000       5.95539000       7.52010000      -0.12473122      -0.01878527      -0.13234689
S        1.71484000       2.49632000       7.73544000       0.10198517       0.00521109      -0.16918146
S       -0.30588000       2.50143000       7.78369000      -0.10249215       0.00602133      -0.17131814