32
Lattice="37.62703635711149 0.0 0.0 0.0 37.62703635711149 0.0 0.0 0.0 37.62703635711149" Properties=species:S:1:pos:R:3:forces:R:3 energy=35.28908122231284 stress="-0.004493483146001145 4.6273166111221995e-05 -0.0002447806113955957 4.6273166111221995e-05 -0.004065965533266169 -0.0005213368932021697 -0.0002447806113955957 -0.0005213368932021697 -0.004991023415441439" free_energy=35.28908122231284 pbc="F F F"
O      19.04318469      18.57453245      18.99465522     -10.29365457      -5.01431315     -16.43772047 
Ti      19.75606423      20.38767045      18.64980030      -1.47579119      -1.18355029      -1.83856670 
O      19.93413257      18.81386005      20.38075811      23.57677976      -9.00760591      -4.87084973 
O      18.69222338      20.15058189      20.21136368     -11.02111771       5.02837039      -5.19134598 
Ti      21.51392589      18.66581387      18.67136128       0.25206386       0.48802987      -0.67829374 
Ti      22.78292028      20.24803892      18.60583003      -0.77394767      -2.45553080       0.65164076 
Ti      22.59599309      18.62840760      20.28463132       1.34122693      -0.06185129      -0.73979499 
O      21.46475797      20.36437386      20.27761338       9.24156989     -18.89229739     -29.18438516 
Ti      18.81708863      21.59833451      19.02945060      -1.90377068       1.09892207      -5.09617678 
Ti      20.42364954      22.80911893      18.98019284      -3.33098122      -0.39288190      -2.39782565 
O      20.26776001      21.58475717      20.20269604     -30.40915624      -3.60696453     -23.57696615 
Ti      18.87091911      22.89436514      20.14763956      -1.55621201       2.23281687      -4.05448458 
Ti      21.70353151      21.13921148      18.78706573       0.50605458      -1.31260942      -1.49216437 
O      22.90001550      22.65236866      18.95103279       6.94048481      12.92005115     -20.39830129 
O      23.03315458      21.41247498      20.11687064      14.96314709     -12.08882058      11.89321681 
O      21.50079653      22.88093698      20.11427607       7.44602588      28.97114119      -7.71733283 
O      19.03002113      18.78574520      21.82955583     -27.36032501     -11.50692609      -4.94379902 
Ti      20.07646902      20.28125233      21.66754068       0.42350436      -2.28351944      -3.72876511 
O      20.35410448      18.75116982      22.63384996      -3.32624407     -15.60158329      13.44431945 
O      18.80270559      19.98116282      23.00201307      -7.19509534       8.00056433      17.56807514 
O      21.64334174      19.05659991      21.39086585      11.29080065     -13.94685065       0.14260764 
Ti      22.73201462      19.94045037      21.81946306       7.04749400      -0.40848838      -0.71410073 
Ti      22.42907137      18.82019260      22.82709242       3.26764322      -3.34677769       1.57807663 
O      21.41347046      20.05728957      23.07911807      11.40456940      20.56066127      10.68336254 
O      18.66738974      21.71790546      21.37222227     -13.25541521      -8.76156779       0.98821298 
O      19.96995861      23.08215987      21.29571855      -0.20542160      18.87384387       9.45937605 
Ti      19.96377829      21.31546163      22.62844469       3.07556878       8.94153384       5.98223177 
Ti      18.76708721      22.70117991      22.67453962      -0.02019915       4.98441759       7.88999015 
O      21.25900274      21.47218387      21.27580539      12.94006838       1.54457796      45.82203004 
Ti      22.53621453      23.08053807      21.45255071      -0.98708161      -2.66882394       3.92907390 
Ti      22.85586035      21.73135513      23.06862967       1.91477475       3.04863159       1.13988867 
Ti      21.45320925      23.05322835      22.73748370      -2.51736306      -4.15259947       1.88877072