21
Lattice="-4.923449710502927 -2.842355752292465 0.0 5.648402468439125e-05 5.684613489759759 0.0 4.208750012506416e-16 6.768713639546245e-20 24.852453786591262" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-156.49887788505438 stress="-5.2449984841514017e-05 -1.8859763570573232e-05 -3.0328341716617373e-05 -1.8859763570573232e-05 -5.271057233202223e-05 -7.77211377167337e-06 -3.0328341716617373e-05 -7.77211377167337e-06 0.00010909238650221552" dipole="-0.04921230229026369 0.07217161850012274 -2.639329706789856e-05" magmom=0.0 free_energy=-156.5377082451695 pbc="T T F"
Ta      -3.28116809      -0.00199165       9.06403496        0       0.00000000       0.00237553      -0.00197457      -0.00221807       0.00000000
S       -1.64148471       0.94713628      10.76944048        0       0.00000000       0.00161790       0.00145890       0.00088660       0.00000000
S       -3.28214392       1.89458113       7.48965730        0       0.00000000      -0.00299081      -0.00057824       0.00131775       0.00000000
Ta      -3.28320143       0.00492916      15.79054437        1       0.00000000      -0.00084707       0.00726516       0.00005870       0.00000000
S       -1.64004266       0.94606791      17.36584041        1       0.00000000       0.00246287       0.00052318      -0.00228125       0.00000000
S       -3.28219176       1.89489067      14.08383189        1       0.00000000      -0.00172514      -0.00151470      -0.00048650       0.00000000
Ta      -0.00119373       0.00146463       9.06401671        0       0.00000000      -0.00243591       0.00258418      -0.00226374       0.00000000
S       -3.28270411      -1.89533230      10.76941496        0       0.00000000       0.00270855       0.00054535       0.00044885       0.00000000
S        0.00048911       1.89507611       7.48791525        0       0.00000000      -0.00229359       0.00010281      -0.00109855       0.00000000
Ta       0.00471834      -0.00268666      15.79030088        1       0.00000000       0.00500923      -0.00388752       0.00133715       0.00000000
S       -3.28250622      -1.89381919      17.36625122        1       0.00000000       0.00133875       0.00406130      -0.00354869       0.00000000
S       -0.00009334       1.89500216      14.08478996        1       0.00000000      -0.00111553      -0.00219308       0.00367655       0.00000000
Ta      -1.64076447       2.84199108       9.06400569        0       0.00000000       0.00071039       0.00079837      -0.00205719       0.00000000
S       -0.00023424       3.78944694      10.76909262        0       0.00000000       0.00309637       0.00155649       0.00046059       0.00000000
S       -1.64046070      -0.94774453       7.48797443        0       0.00000000      -0.00221186      -0.00118058      -0.00227510       0.00000000
Ta      -1.64525385       2.83957977      15.79059210        1       0.00000000      -0.00624789      -0.00448093      -0.00022674       0.00000000
S       -0.00157864       3.78882202      17.36652987        1       0.00000000      -0.00145016      -0.00049754      -0.00274036       0.00000000
S       -1.64133982      -0.94737248      14.08508401        1       0.00000000      -0.00079586      -0.00148310       0.00268463       0.00000000
Ta      -3.28231495       0.00115288      12.42670970        2       0.00000000       0.00034374      -0.00100801       0.00292872       0.00000000
Ta       0.00074823      -0.00058361      12.42683119        2       0.00000000       0.00124737       0.00089976       0.00226066       0.00000000
Ta      -1.64270872       2.84141505      12.42671082        2       0.00000000       0.00120320      -0.00099714       0.00290380       0.00000000