19
Lattice="5.4308195725115995 -3.105132618230993 0.0 5.4264800906248745 3.0980488742712264 0.0 3.058162829357607e-16 3.061098532800023e-19 24.374296448114727" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-125.06418479801212 stress="-8.186434884817545e-06 -5.8608339475218226e-06 1.2937543891950224e-05 -5.8608339475218226e-06 7.720226334404348e-06 1.5346218781112156e-05 1.2937543891950224e-05 1.5346218781112156e-05 6.870358770894848e-05" dipole="8.537459812907858 0.19612201910864316 0.006850136697757398" magmom=0.0 free_energy=-125.07630182364986 pbc="T T F"
Ta       0.10346332      -0.13131121       9.12288188        0       0.00000000      -0.00485454      -0.00517257      -0.00417890       0.00000000
Se       1.66923713       1.04962735      10.87905810        0       0.00000000       0.00240205       0.00073089       0.00161688       0.00000000
Se       5.32364955      -0.98029741       7.62060976        0       0.00000000       0.00012937      -0.00214103      -0.00119195       0.00000000
Ta       2.18215706       1.04786005      15.18647644        1       0.00000000      -0.00285283      -0.00248504      -0.00090522       0.00000000
Se       0.11595626      -0.06973235      16.80153386        1       0.00000000       0.00150730       0.00171403      -0.00033900       0.00000000
Se       5.46047529      -1.11748161      13.77236925        1       0.00000000      -0.00014296       0.00005956      -0.00088416       0.00000000
Ta       3.60092917       0.41555315       9.26750467        0       0.00000000       0.00404508       0.00309668      -0.00166341       0.00000000
Se       5.55515417       1.04770495      10.85505563        0       0.00000000       0.00105946       0.00097280       0.00528573       0.00000000
Se       3.62348018       2.23647425       7.47750265        0       0.00000000      -0.00186063       0.00281547       0.00895980       0.00000000
Ta       5.05637861       1.04709965      15.18744616        1       0.00000000       0.00259302      -0.00079844      -0.00248952       0.00000000
Se       3.61917623      -0.16595081      16.90189138        1       0.00000000      -0.00120191      -0.00147729      -0.00000883       0.00000000
Se       3.62058908       2.28600822      13.39297472        1       0.00000000      -0.00008597       0.00024091       0.00030136       0.00000000
Ta       7.15457964      -0.17314962       9.12299054        0       0.00000000       0.00082869       0.00200321      -0.00403385       0.00000000
Se       3.61550844      -1.96691292      10.63555601        0       0.00000000       0.00163439      -0.00078779       0.00059790       0.00000000
Se       1.91243871      -0.98839666       7.62145066        0       0.00000000      -0.00025007       0.00138190       0.00105412       0.00000000
Ta       3.62267355      -2.41649054      15.34422264        1       0.00000000       0.00125227       0.00017228       0.00056738       0.00000000
Se       7.12420414      -0.07534065      16.79999776        1       0.00000000      -0.00358707       0.00176521      -0.00006146       0.00000000
Se       1.78132300      -1.11916957      13.77379115        1       0.00000000      -0.00061933      -0.00142140      -0.00062056       0.00000000
Ta       3.61790661       0.02991522      12.40763577        2       0.00000000       0.00000751      -0.00065024      -0.00193128       0.00000000