17
Lattice="19.495880759679295 -1.066161830491468e-20 5.686168394384401e-25 -6.900743490450584e-17 19.892853390847108 3.280066325083069e-16 3.209346675556181e-17 7.549512192313126e-16 12.004395950225025" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-690.5101395393482 stress="0.0005990910850167589 -2.5299845520338734e-05 -3.1849173833120214e-05 -2.5299845520338734e-05 0.0006124185978373748 -2.2947278578330206e-05 -3.1849173833120214e-05 -2.2947278578330206e-05 5.003552736905336e-07" dipole="-0.2027889151206204 -0.13775854847561822 34.5588298141358" magmom=0.0 free_energy=-690.5108478634606 pbc="F F T"
Cl       6.98534467       8.08015585       4.25974993       0.00000000       0.00520146       0.00618205       0.00078464       0.00000000
Cl       9.18917318      11.57163201      -0.14912741       0.00000000       0.00559981       0.00201003       0.00101048       0.00000000
Cl       8.39205454      11.02556154       3.10839522       0.00000000      -0.00114457      -0.00179052       0.00103794       0.00000000
Cl      10.23659773       8.32367250       3.10603352       0.00000000       0.00054657      -0.00287275      -0.00092471       0.00000000
Ti       8.75807964       9.29208137       4.82326291       0.00000000      -0.00135149      -0.00043943      -0.00625993       0.00000000
Cl      12.42698559      11.78485710      -1.40788527       0.00000000      -0.00743759      -0.00198398      -0.00259204       0.00000000
Cl      11.04009560       8.86181612      -0.14291102       0.00000000       0.00058443       0.00290190       0.00358515       0.00000000
Ti      10.23187333      10.30264160       1.65677264       0.00000000      -0.00294389      -0.00760966      -0.00277556       0.00000000
O       11.50343008      11.17315032       2.11856327       0.00000000       0.00413337       0.00289738       0.00329013       0.00000000
Cl       8.59288709       9.17473220       9.47606228       0.00000000      -0.00118253       0.00190321       0.00054360       0.00000000
Cl       7.57943081      10.58691731       6.44675797       0.00000000       0.00890284      -0.00317389      -0.00454108       0.00000000
Cl       9.80164996      12.11336622       8.50988526       0.00000000      -0.00138319      -0.00192958       0.00798635       0.00000000
Cl      11.76718592       9.21911280       8.51320774       0.00000000      -0.00189436       0.00239233       0.00165473       0.00000000
Ti      10.63806982      10.56798173      10.12955820       0.00000000       0.00099781       0.00478018       0.00295202       0.00000000
Cl      10.78056403      10.66720000       5.52998027       0.00000000      -0.00596225      -0.00151794      -0.00249386       0.00000000
Cl       9.53587359       7.71916227       6.44237123       0.00000000      -0.00055404       0.00103329      -0.00074582       0.00000000
Ti       9.67851675       9.91538268       7.48926929       0.00000000      -0.00042974       0.00015771      -0.00133433       0.00000000