19
Lattice="-5.150122733733884 -2.974791351278983 0.0 -0.0002877879097086438 5.9500452146635086 0.0 5.473237552780726e-16 -2.6034060400896866e-19 23.901137200123085" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-137.57410232334092 stress="7.385899653202586e-06 1.547001832672646e-06 -8.173265910759585e-05 1.547001832672646e-06 -5.189961641622371e-06 -6.398799162058408e-05 -8.173265910759585e-05 -6.398799162058408e-05 0.000222128200608946" dipole="3.4334560482823884 13.320415677345617 0.05284681811812667" magmom=0.0 free_energy=-137.59153426430873 pbc="T T F"
Ta      -3.42912208      -0.22341062       9.01771610        0       0.00000000      -0.00139004      -0.00105260      -0.00139957       0.00000000
S       -1.73262516       0.96209539      10.53132760        0       0.00000000      -0.00013806      -0.00378596      -0.00156486       0.00000000
S       -3.43110455       1.85731664       7.47340175        0       0.00000000      -0.00186139       0.00441296       0.00390570       0.00000000
Ta      -1.66075281       1.08506795      14.84780504        1       0.00000000      -0.00201262       0.00084899       0.00080287       0.00000000
S       -3.43588787       0.03836872      16.24282111        1       0.00000000       0.00059431      -0.00137767       0.00455232       0.00000000
S       -3.43597602       2.13903063      13.31937071        1       0.00000000       0.00086837       0.00110949      -0.00275492       0.00000000
Ta       0.24430972       0.02424322       9.02214221        0       0.00000000      -0.00362201      -0.00199850      -0.00514430       0.00000000
S       -3.43226303      -2.01980082      10.70574292        0       0.00000000      -0.00053672       0.00456983       0.00523327       0.00000000
S       -0.07259138       1.95085401       7.56837237        0       0.00000000      -0.00234437      -0.00241148       0.00818862       0.00000000
Ta      -3.43601664      -2.03199376      14.84320603        1       0.00000000       0.00126064       0.00314126       0.00056772       0.00000000
S       -0.00428339       0.04893425      16.41578595        1       0.00000000      -0.00017596      -0.00024083      -0.00466401       0.00000000
S       -0.10221200       1.98138467      13.34214308        1       0.00000000       0.00097954       0.00281850       0.00036603       0.00000000
Ta      -1.95802367       3.00053170       9.02236720        0       0.00000000       0.00227412      -0.00338641      -0.00588046       0.00000000
S        0.01882514       3.93649690      10.52969484        0       0.00000000      -0.00219439      -0.00303209      -0.00093569       0.00000000
S       -1.63891213      -1.02468430       7.56584161        0       0.00000000       0.00004202      -0.00372499       0.00827227       0.00000000
Ta      -0.06104031       4.05987486      14.84848163        1       0.00000000       0.00411049       0.00120298       0.00037625       0.00000000
S       -1.71826112       3.02383379      16.41575316        1       0.00000000       0.00328794      -0.00013451      -0.00471459       0.00000000
S       -1.61861716      -0.99398098      13.34290090        1       0.00000000       0.00041859       0.00294553      -0.00042903       0.00000000
Ta      -3.43472491       0.03637898      12.22592598        2       0.00000000       0.00043987       0.00008697      -0.00447666       0.00000000