16
Lattice="3.4044571786136015 7.690258547210067e-21 0.0 1.004449782855715e-16 11.455591638281273 0.0 -4.5706692098135136e-17 -1.5818847169347229e-28 36.86178757304633" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-101.70249283391784 stress="8.27767609882639e-06 0.0 0.0 0.0 1.9789041237175102e-05 1.9687723713444546e-05 0.0 1.9687723713444546e-05 9.205892580125827e-05" dipole="1.6085567352129226e-14 -19.98846516666461 -3.6959172711347354e-07" magmom=0.0 free_energy=-101.7059241023515 pbc="T T F"
Ta       1.70222859       7.72142994      18.88393294       0.00000000       0.00000000       0.00358984      -0.00059967       0.00000000
Ta       1.70222859       3.12005095      20.18933436       0.00000000       0.00000000       0.00055627      -0.00113056       0.00000000
S        0.00000000       9.40812125      19.65140303       0.00000000       0.00000000       0.00182963       0.00005870       0.00000000
S        0.00000000       7.21310851      17.06685206       0.00000000       0.00000000      -0.00206667      -0.00227860       0.00000000
S       -0.00000000       2.23225761      21.73237358       0.00000000       0.00000000      -0.00435244       0.00175561       0.00000000
S        0.00000000       6.88445062      20.57520854       0.00000000       0.00000000       0.00413075      -0.00637470       0.00000000
S       -0.00000000       4.68300776      21.24898698       0.00000000       0.00000000      -0.00554357      -0.00538071       0.00000000
S        1.70222859       5.11726133      18.51625531       0.00000000       0.00000000      -0.00715290      -0.00299495       0.00000000
Ta       0.00000000       0.01741030      17.97785385       0.00000000       0.00000000      -0.00358952       0.00060035       0.00000000
Ta       0.00000000       4.61878984      16.67245382       0.00000000       0.00000000      -0.00055701       0.00112940       0.00000000
S        1.70222859       9.78631050      17.21038392       0.00000000       0.00000000      -0.00182904      -0.00006048       0.00000000
S        1.70222859       0.52573066      19.79493489       0.00000000       0.00000000       0.00206687       0.00228129       0.00000000
S        1.70222859       5.50658353      15.12941405       0.00000000       0.00000000       0.00435245      -0.00175541       0.00000000
S        1.70222859       0.85439086      16.28657907       0.00000000       0.00000000      -0.00413096       0.00637318       0.00000000
S        1.70222859       3.05583545      15.61279956       0.00000000       0.00000000       0.00554127       0.00538309       0.00000000
S        0.00000000       2.62157860      18.34553259       0.00000000       0.00000000       0.00715124       0.00299434       0.00000000