29
Lattice="0.0 0.0 3.376709 -8.457238 8.457238 1.688355 -8.457238 -8.457238 -1.688355" Properties=species:S:1:pos:R:3:forces:R:3 energy=-267.282965858112 stress="0.014954783588926279 4.039589828139092e-06 1.6123237282141148e-05 4.039589828139092e-06 0.014954499310919314 5.596906849527664e-05 1.6123237282141148e-05 5.596906849527664e-05 0.013687489413764848" dipole="-0.0001108340173512268 0.0004173571234386952 -0.0001986711567291998" pbc="T T T"
Nb       0.00000000       0.00000000       0.00000000       0.00000871      -0.00000641      -0.00001564
Nb      -3.35335000       3.24313000       3.37671000       0.07419054       0.01965313      -0.00010408
Nb      -2.29011000       0.83085000       1.68835000       0.13061013      -0.06205220      -0.00015192
Nb      -9.28810000       6.16713000       3.37671000       0.06189278       0.13020637       0.00000453
Nb      -5.32378000       1.95805000       1.68835000      -0.06237142       0.13598987      -0.00049164
Nb      -8.11897000       3.75252000       1.68835000       0.11789619       0.04432694      -0.00229474
Nb      -4.70472000      -0.33827000       0.00000000       0.04522329      -0.11763554      -0.00019545
Nb      -7.61769000       1.36966000       3.37671000       0.04565832       0.06926238       0.00106179
Nb     -11.70037000       5.10389000       1.68835000      -0.02094777       0.07475725      -0.00215939
Nb     -10.41529000       3.13346000       3.37671000      -0.13574917      -0.06224442       0.00171785
Nb      -7.08758000      -0.83955000       1.68835000       0.06909524      -0.04533101       0.00037789
Nb      -9.82689000       0.83955000       1.68835000      -0.06912618       0.04531163      -0.00028739
Nb      -6.49918000      -3.13346000       0.00000000       0.13574074       0.06221513      -0.00180589
Nb      -5.21410000      -5.10389000       1.68835000       0.02092799      -0.07476363       0.00218787
Nb      -9.29678000      -1.36966000       0.00000000      -0.04571385      -0.06927478      -0.00115318
Nb     -12.20976000       0.33827000       3.37671000      -0.04513144       0.11762755       0.00014225
Nb      -8.79550000      -3.75252000       1.68835000      -0.11793532      -0.04431204       0.00235042
Nb     -11.59070000      -1.95805000       1.68835000       0.06240459      -0.13597019       0.00057927
Nb      -7.62639000      -6.16713000      -0.00000000      -0.06172910      -0.13022631      -0.00005024
Nb     -14.62437000      -0.83085000       1.68835000      -0.13058825       0.06206883       0.00021184
Nb     -13.56113000      -3.24313000       0.00000000      -0.07412752      -0.01967214       0.00007741
S       -7.37397000       6.13373000       1.68835000      -0.02215756       0.02415659       0.00001228
S       -6.16248000       3.60102000       3.37671000      -0.00801847      -0.08026501      -0.00120887
S       -2.32351000      -1.08326000      -0.00000000       0.02368720       0.02165149       0.00072438
S       -4.85622000      -2.29476000       1.68835000      -0.07996296       0.00737449       0.00085978
S      -12.05825000       2.29476000       1.68835000       0.07995508      -0.00737113      -0.00078486
S      -14.59096000       1.08326000       3.37671000      -0.02380012      -0.02162177      -0.00076348
S      -10.75200000      -3.60102000       0.00000000       0.00805901       0.08027104       0.00113361
S       -9.54050000      -6.13373000       1.68835000       0.02200922      -0.02412892       0.00002556