21
Lattice="4.928053481157104 -2.845219918162962 0.0 4.928185869691765 2.8454492135211855 0.0 -1.7012523139352766e-16 -6.419843871850717e-21 24.82141934264215" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-158.4083638305283 stress="1.0978532021011048e-06 1.2414263220717148e-05 8.23500471005124e-06 1.2414263220717148e-05 1.694294613445833e-05 -3.6261002949405427e-06 8.23500471005124e-06 -3.6261002949405427e-06 0.00015097622113950266" dipole="0.013284253816493511 0.05603901303532302 -5.727978191301183e-07" magmom=0.0 free_energy=-158.43449344114356 pbc="T T F"
Ta      -0.00021984      -0.00014718       9.07823101        0       0.00000000       0.00070844      -0.00012523      -0.00486150       0.00000000
S        1.64241910       0.94825753      10.72778666        0       0.00000000       0.00062976       0.00055450       0.00084893       0.00000000
S        1.64270665       0.94831814       7.49482437        0       0.00000000      -0.00133907       0.00036197       0.00465453       0.00000000
Ta       0.00006658      -0.00011506      15.74280079        1       0.00000000      -0.00057789      -0.00062765       0.00666764       0.00000000
S        4.92810512      -0.94832169      14.09335421        1       0.00000000      -0.00015781      -0.00135486       0.00032184       0.00000000
S        4.92817608      -0.94867017      17.32658056        1       0.00000000      -0.00001740       0.00062580      -0.00523706       0.00000000
Ta       3.28527961      -0.00004101       9.07845206        0       0.00000000       0.00013011      -0.00025433      -0.00622449       0.00000000
S        4.92797300       0.94852412      10.72806778        0       0.00000000      -0.00016037      -0.00064153      -0.00062515       0.00000000
S        4.92800471       0.94835979       7.49482078        0       0.00000000      -0.00061791       0.00023053       0.00468238       0.00000000
Ta       3.28546743      -0.00023317      15.74300783        1       0.00000000      -0.00073835       0.00081997       0.00535025       0.00000000
S        3.28539996       1.89669177      14.09349691        1       0.00000000       0.00039000       0.00024979      -0.00058772       0.00000000
S        3.28574830       1.89668891      17.32641603        1       0.00000000      -0.00119422       0.00035029      -0.00383724       0.00000000
Ta       6.57059810      -0.00002444       9.07840684        0       0.00000000       0.00089437       0.00013340      -0.00588134       0.00000000
S        3.28521068      -1.89698743      10.72786644        0       0.00000000      -0.00007889       0.00022522       0.00031825       0.00000000
S        3.28507975      -1.89685611       7.49487333        0       0.00000000       0.00041159      -0.00054763       0.00418707       0.00000000
Ta       6.57088955      -0.00010056      15.74309204        1       0.00000000      -0.00038482       0.00024134       0.00494327       0.00000000
S        1.64266474      -0.94874261      14.09342730        1       0.00000000       0.00015744       0.00069008      -0.00029835       0.00000000
S        1.64262845      -0.94854892      17.32647126        1       0.00000000       0.00082884      -0.00068756      -0.00432711       0.00000000
Ta      -0.00016433      -0.00001178      12.41076799        2       0.00000000       0.00032536      -0.00079977      -0.00060707       0.00000000
Ta       6.57087842      -0.00016950      12.41060675        2       0.00000000      -0.00066584       0.00069208       0.00033695       0.00000000
Ta       3.28505198      -0.00008155      12.41062505        2       0.00000000       0.00145668      -0.00013637       0.00027833       0.00000000