20
Lattice="5.671071242943985 -3.2739173815494897 0.0 5.671034986267581 3.2738545893807105 0.0 1.45947563909123e-16 -3.9343469729389313e-22 24.63492884249745" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-128.03238674325135 stress="1.7283547554193196e-05 -1.928774744095206e-06 1.517163004384021e-06 -1.928774744095206e-06 -1.4353041958968819e-05 -2.916424163682558e-06 1.517163004384021e-06 -2.916424163682558e-06 -0.00026332571147620734" dipole="-17.187652874184696 0.0649835874831502 -0.050409767409798245" magmom=0.0 free_energy=-128.06558389015507 pbc="T T F"
Zr      -0.00001663      -0.00020300       9.10079823        0       0.00000000      -0.00000999      -0.00009286      -0.00818844       0.00000000
Se       1.94031655       1.06223001      10.78654935        0       0.00000000       0.00356067      -0.00260163      -0.00799108       0.00000000
Se       5.69091776      -1.10299530       7.50143556        0       0.00000000      -0.00459529       0.00296900      -0.00220193       0.00000000
Zr       1.87606867       1.09940274      15.51171795        1       0.00000000       0.00287973      -0.00187101       0.00570507       0.00000000
Se       0.00005168      -0.00021230      17.09054998        1       0.00000000      -0.00016306       0.00040825       0.00576569       0.00000000
Se       5.52657584      -1.00809352      13.87896756        1       0.00000000      -0.00565580       0.00347793       0.00407007       0.00000000
Zr       3.78064780      -0.00022200       9.00126774        0       0.00000000       0.00009598      -0.00018891       0.00134932       0.00000000
Se       5.62102842       1.06220739      10.78655356        0       0.00000000      -0.00342470      -0.00262806      -0.00793257       0.00000000
Se       3.78065866       2.20534594       7.50142943        0       0.00000000      -0.00005809      -0.00485359      -0.00221650       0.00000000
Zr       5.68527168       1.09924511      15.51185867        1       0.00000000      -0.00285300      -0.00180359       0.00568410       0.00000000
Se       3.78067841      -0.00026354      17.13006079        1       0.00000000      -0.00001205       0.00027459       0.00445346       0.00000000
Se       3.78071450       2.01551195      13.87897529        1       0.00000000      -0.00001656      -0.00674643       0.00395172       0.00000000
Zr       7.56137471      -0.00021511       9.10079983        0       0.00000000       0.00001810      -0.00009763      -0.00818406       0.00000000
Se       3.78069639      -2.12507877      10.78655267        0       0.00000000       0.00007948       0.00390944      -0.00774684       0.00000000
Se       1.87042046      -1.10298560       7.50138360        0       0.00000000       0.00456325       0.00302536      -0.00209437       0.00000000
Zr       3.78082139      -2.19936059      15.51170654        1       0.00000000      -0.00008846       0.00349126       0.00594253       0.00000000
Se       7.56145408      -0.00022772      17.09053739        1       0.00000000      -0.00003000       0.00039765       0.00579943       0.00000000
Se       2.03480523      -1.00812910      13.87904144        1       0.00000000       0.00568888       0.00353543       0.00395060       0.00000000
Zr      -0.00001301      -0.00020120      12.49007288        2       0.00000000       0.00036968      -0.00022235      -0.00020716       0.00000000
Zr       7.56141293      -0.00024586      12.49006851        2       0.00000000      -0.00034872      -0.00038281      -0.00020544       0.00000000