12
Lattice="3.768787 0.0 0.0 0.0 6.913501 0.0 0.0 0.0 15.723092" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.33219061434875 stress="0.00022179252332994484 1.9793577724594196e-09 -2.5098778591605056e-13 1.9793577724594196e-09 0.000567264500957363 1.4448561628706965e-07 -2.5098778591605056e-13 1.4448561628706965e-07 -3.5205018838506e-05" dipole="-2.395022558067881e-05 -3.313365358377079e-05 -10.435188704586688" pbc="T T T"
I        0.00000000       6.10463000       1.70307000      -0.00001052       0.00631347      -0.05847699
I        1.88439000       2.65004000       2.26533000       0.00001113       0.00697308      -0.08912320
I        1.88439000       5.37076000       5.71276000       0.00001116       0.00026954       0.08769456
I        0.00000000       1.90364000       6.27587000      -0.00001044       0.01245894       0.06201703
I        1.88439000       0.80887000       9.56461000       0.00001052      -0.00628910      -0.05844104
I        0.00000000       4.26347000      10.12688000      -0.00001113      -0.00701015      -0.08911453
I        0.00000000       1.54274000      13.57430000      -0.00001116      -0.00027044       0.08770579
I        1.88439000       5.00986000      14.13742000       0.00001044      -0.01244760       0.06199265
Zr       1.88439000       0.79972000       0.00613000       0.00002203       0.06093905       0.00479772
Zr       0.00000000       3.39907000       0.11056000      -0.00002183      -0.06631209      -0.00679930
Zr       0.00000000       6.11378000       7.86768000      -0.00002203      -0.06093418       0.00475274
Zr       1.88439000       3.51443000       7.97211000       0.00002183       0.06630948      -0.00681310