8
Lattice="7.1144088587764776 1.0755706030834879e-18 0.0 -3.5572044293882397 6.161258804609487 0.0 5.222715695670651e-19 0.0 18.491777277789787" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-30.881454657522738 dipole="-0.000975330914272807 0.000563107565759764 9.427896232003851e-10" magmom=1.9962514461470313 free_energy=-30.90195983950447 pbc="T T F"
Zr       3.55720443       2.05375293       9.24589621       1.00000000       0.61268749
Zr       0.00000000       4.10750587       9.24588105       1.00000000       0.61264242
I        4.71655810       0.00000460       7.51063575       1.00000000      -0.00305780
I        1.19892936       2.07659737       7.51063575       1.00000000      -0.00305780
I       -2.35828303       4.08465684       7.51063575       1.00000000      -0.00305780
I        2.39785074      -0.00001437      10.98114151       1.00000000      -0.00305781
I        2.35826661       4.08466633      10.98114151       1.00000000      -0.00305781
I       -1.19891293       2.07660684      10.98114151       1.00000000      -0.00305781