8
Lattice="6.440757 0.0 0.0 -3.220378 5.577859 0.0 0.0 0.0 6.048293" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.851280345500356 stress="-0.0013517636516236582 -4.1829761021084124e-05 2.3057528666015082e-11 -4.1829761021084124e-05 -0.0013987843112185988 -2.3245429270702315e-11 2.3057528666015082e-11 -2.3245429270702315e-11 -0.0006142475928736552" dipole="1.1701564993066997e-06 -4.943138628148384e-06 3.5865956983354663e-07" pbc="T T T"
Cl       2.06526000       0.00000000       1.51207000      -0.25603158      -0.00013343      -0.00000344
Cl      -1.03262547       1.78856000       1.51207000       0.12790450      -0.22181298      -0.00000344
Cl       2.18775000       3.78929000       1.51207000       0.12760207       0.22102682      -0.00000342
Cl       4.37550000       0.00000000       4.53622000       0.25599533       0.00012865       0.00001768
Cl       1.03263000       1.78856000       4.53622000      -0.12756764      -0.22096298       0.00001766
Cl      -2.18774733       3.78929000       4.53622000      -0.12793833       0.22186928       0.00001767
Zr       0.00000000       0.00000000       0.00000000       0.00001769      -0.00005719      -0.00000997
Zr       0.00000000       0.00000000       3.02415000       0.00001768      -0.00005721      -0.00003331