12
Lattice="7.320424749007094 1.2628593907750233e-19 0.0 -3.660212374503545 6.465926711819674 0.0 -1.562875348878352e-18 0.0 19.205055990405363" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-66.7727567797997 dipole="14.485702897383238 -7.349665831717322 -1.786119378023439e-08" magmom=2.8710608149370103 free_energy=-66.80000581607418 pbc="T T F"
Zr       0.00700780      -0.01345176       9.59998773       0.37292371       0.37302904
S        1.81957774       1.09277404      10.98576610       0.01351939       0.01351837
I        1.83353098       1.07588243       7.48648034      -0.00386246      -0.00386536
Zr      -1.82309836       3.21951160       9.60506806       0.37292364       0.37302898
I        0.00342477       4.30884579      11.71857565      -0.00386246      -0.00386536
S       -0.01052851       4.32573742       8.21928961       0.01351938       0.01351836
Zr       3.66722017      -0.01345177       9.60506807       0.37292364       0.37302898
I        5.49374331       1.07588242      11.71857555      -0.00386246      -0.00386536
S        5.47978996       1.09277409       8.21928969       0.01351939       0.01351836
Zr       1.83711399       3.21951159       9.59998774       0.37292367       0.37302901
S        3.64968390       4.32573735      10.98576609       0.01351939       0.01351837
I        3.66363717       4.30884574       7.48648034      -0.00386247      -0.00386536