20
Lattice="-4.970984338160782 -2.871979251631193 0.0 0.0016271058661582348 5.741140824826812 0.0 -1.3918905044649924e-16 -2.4055664536456068e-20 24.753792044123017" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-147.1985842610412 stress="-5.583714638683327e-05 1.3742336799262616e-05 0.00022574882708089803 1.3742336799262616e-05 -3.11958907676704e-05 -0.00013811573258181676 0.00022574882708089803 -0.00013811573258181676 6.22361947415864e-05" dipole="2.1532694969906205 3.791764944789322 3.265508012495051e-05" magmom=0.0 free_energy=-147.2251318204639 pbc="T T F"
Ta      -3.31942143      -0.17457954       9.11180799        0       0.00000000       0.00389886      -0.00064717      -0.00155877       0.00000000
S       -1.65328465       0.99053711      10.77498804        0       0.00000000       0.00285453       0.00088330      -0.00388111       0.00000000
S       -3.31412675       1.84408029       7.56557451        0       0.00000000       0.00259432      -0.00290148      -0.00022257       0.00000000
Ta      -3.46152785      -0.09295270      15.64286284        1       0.00000000       0.00042432       0.00343950      -0.00147389       0.00000000
S       -1.71584228       0.92033297      17.18876691        1       0.00000000       0.00083432       0.00399990       0.00100760       0.00000000
S       -3.28435811       1.93246450      13.97919199        1       0.00000000      -0.00351614       0.00146952       0.00608098       0.00000000
Ta       0.14745004       0.09105839       9.11177017        0       0.00000000       0.00190619      -0.00190547      -0.00148966       0.00000000
S       -3.22914915      -1.96384430      10.84131739        0       0.00000000       0.00299289      -0.00153766       0.00762605       0.00000000
S       -0.02122188       1.92590247       7.52714687        0       0.00000000       0.00238674      -0.00133014       0.00072614       0.00000000
Ta       0.00549790       0.17368809      15.64282546        1       0.00000000      -0.00318446      -0.00140039      -0.00154808       0.00000000
S       -3.29219626      -1.92746179      17.22739511        1       0.00000000      -0.00292396       0.00162135      -0.00249125       0.00000000
S       -0.08412813       1.96228846      13.91284059        1       0.00000000      -0.00422946       0.00282381      -0.00654937       0.00000000
Ta      -1.75637356       2.92866405       9.08993444        0       0.00000000       0.00390642      -0.00377610      -0.00618620       0.00000000
S       -0.02714778       3.80735391      10.77508008        0       0.00000000       0.00090441      -0.00296236      -0.00406627       0.00000000
S       -1.59856746      -0.92171211       7.56523752        0       0.00000000       0.00445182      -0.00162360       0.00046095       0.00000000
Ta      -1.55451820       2.81147225      15.66451792        1       0.00000000      -0.00702194       0.00376811       0.00492101       0.00000000
S        0.00240828       3.89654492      17.18901651        1       0.00000000      -0.00265037      -0.00275690       0.00047773       0.00000000
S       -1.66006558      -0.99228402      13.97923108        1       0.00000000      -0.00279139       0.00206454       0.00605027       0.00000000
Ta      -3.31234070       0.00030977      12.37710724        2       0.00000000      -0.00120798      -0.00048608       0.00116821       0.00000000
Ta      -0.00084137      -0.00185619      12.37714548        2       0.00000000       0.00035726       0.00126528       0.00091069       0.00000000