12
Lattice="5.218984658080618 0.0007749410581128856 0.0 0.0006728623553745578 5.412973004293486 0.0 -2.3913761870083043e-15 -1.7231488242794852e-19 18.279724153526438" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-108.34304645279092 stress="7.3577396188588315e-06 1.1811315037241451e-05 -2.9597991839041112e-05 1.1811315037241451e-05 -1.5616458875994153e-06 -9.115909244317453e-07 -2.9597991839041112e-05 -9.115909244317453e-07 0.00024406654649905316" dipole="3.8153896368327977 -16.09289905837043 0.00019817951546805365" magmom=0.0 free_energy=-108.34304645279255 pbc="T T F"
Zr      -0.23244979       0.30696900       8.08559838       0.00000000      -0.00056629       0.00173775      -0.00077686       0.00000000
Zr       2.37645654       0.30766281      10.19462053       0.00000000       0.00517632       0.00072302       0.00098682       0.00000000
Zr       1.54815286       3.01396430       8.08647077       0.00000000      -0.00070145      -0.00061161      -0.00586771       0.00000000
Zr       4.15740156       3.01411017      10.19509359       0.00000000      -0.00537185       0.00102115      -0.00076857       0.00000000
O        0.66174725       1.65766336       6.99342191       0.00000000      -0.00124668       0.00089345      -0.00075304       0.00000000
O        0.65791068       4.36861043       9.59252446       0.00000000       0.00316886       0.00266472       0.00262489       0.00000000
O        0.65712429       1.66240868       9.59366528       0.00000000      -0.00008031      -0.00288815      -0.00153374       0.00000000
O        0.65559534       4.36451573       6.99229971       0.00000000      -0.00327155      -0.00151260       0.00209425       0.00000000
O        3.26762225       1.65984032       8.68738978       0.00000000       0.00247518      -0.00126900       0.00355885       0.00000000
O        3.26881973       4.36934644      11.28811410       0.00000000       0.00326789      -0.00215247      -0.00040530       0.00000000
O        3.26473625       1.66273030      11.28775963       0.00000000       0.00022630       0.00088868      -0.00065272       0.00000000
O        3.26705052       4.36618116       8.68781044       0.00000000      -0.00198814      -0.00063158       0.00121739       0.00000000