10
Lattice="7.403837719855569 3.756995119593312e-12 0.0 -3.7019188549277904 6.234602718754711 0.0 1.0616510267951624e-18 2.694374189663372e-31 18.99889023" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-47.045516269226795 stress="-2.8277875487447418e-05 1.2127989625264703e-08 1.3110576550031704e-05 1.2127989625264703e-08 2.615025466737248e-05 -8.99701823246441e-09 1.3110576550031704e-05 -8.99701823246441e-09 0.00010024997253089887" dipole="5.2204152804396656e-06 9.102266357134113e-07 -7.44104187288053e-14" magmom=0.0 free_energy=-47.04551643324332 pbc="T T F"
I        5.03622279       2.52858584      11.24432024       0.00000000      -0.00134340       0.00326325      -0.00576673       0.00000000
I       -1.33430385       3.70601688       7.75456999       0.00000000       0.00134340      -0.00326325       0.00576673       0.00000000
I        2.36761494       2.52858584       7.75456999       0.00000000       0.00134343       0.00326377       0.00576868       0.00000000
I        1.33430385       3.70601688      11.24432024       0.00000000      -0.00134343      -0.00326377      -0.00576868       0.00000000
S        7.24731070       0.00000000       7.50294120       0.00000000       0.00154503      -0.00000496       0.00234712       0.00000000
S        0.15652694       0.00000000      11.49594903       0.00000000      -0.00154503       0.00000496      -0.00234712       0.00000000
S        5.59004280       0.00000000       8.75458052       0.00000000      -0.00324202       0.00000517       0.00343625       0.00000000
S        1.81379500       0.00000000      10.24430971       0.00000000       0.00324202      -0.00000517      -0.00343625       0.00000000
Zr       3.70191883       4.53704564       9.49944512       0.00000000       0.00000215      -0.00933834      -0.00000150       0.00000000
Zr       0.00000004       1.69755720       9.49944512       0.00000000      -0.00000215       0.00933834       0.00000150       0.00000000