32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-27.2102712725 stress="-0.7178454175500518 0.014784408886183265 -0.17424480074068785 0.014784408886183265 -0.8421978641495134 0.13790311329061908 -0.17424480074068785 0.13790311329061908 -0.6552697018709978" pbc="F F F"
O      -0.16486901       0.06082869      -0.04772910      -2.46783135      -0.24410716      -1.93626178 
Ti       1.61851789       1.61140233      -0.08457859      -1.54899294      -1.35539651       0.07469297 
O       1.45214204      -0.16044972       1.51036330       2.81392229      -1.01506128       2.80470307 
Ti       0.10923630       1.02283867       1.87112842       1.66418970       0.13733551       0.39707525 
Ti       3.30442371       0.14225332       0.19877714      -2.30148752      -0.59220167      -2.43740161 
O       4.60881314       1.63250256       0.10031152      16.94251439      -0.92488219     -17.26572693 
O       4.68035870       0.08644737       1.03306417       2.85909091     -12.71650388       5.90133042 
O       3.13572127       1.55791531       1.23387496     -20.86440017     -22.28709399      10.11444569 
Ti      -0.15430356       3.24474863       0.19798125       0.76859932       0.72292591       0.24000165 
O       1.63352743       4.67863701      -0.05904290      -0.68682224       0.33812615       1.84769207 
Ti       1.68883157       2.84584289       1.33375718      -2.80942276       1.85595618       0.76294772 
Ti       0.19171460       4.47136687       1.38405324      -0.21547783      -1.49264933      -0.09808657 
O       3.27143892       2.90295338       0.10338854     -17.43573635      18.66457813     -25.90747313 
Ti       4.51175620       4.75545238      -0.03675764       1.24185070       2.04664447       1.48542368 
O       4.24663523       2.98702489       1.44857885      20.11080814      20.89678418      19.73498897 
Ti       3.26640843       4.73019098       1.79169807      -0.45749155       2.92206706      -5.13326244 
Ti       0.13055609      -0.05860127       3.03851086       0.24685606       2.16789831      -1.47301355 
Ti       1.68082324       1.43841187       2.90096172      -1.32907159      -2.69572249       1.72575084 
O       1.28747849      -0.10523254       4.37993804      -1.08194196      -3.53745973       2.50308780 
Ti       0.20684458       1.32464588       4.47232217      -0.40962539       2.44561957      -1.27541186 
Ti       3.05055612      -0.14448587       3.28460712      -3.47841456      -0.84399208      -3.08892802 
O       4.25346517       1.26772449       2.77715687       5.73808308      -7.05336651      11.40045301 
O       4.24014891      -0.12743902       4.52783783       4.45698076      -0.47691559      -2.56203283 
Ti       2.85193091       1.20940621       4.65396069      -2.84952540       5.08094820       0.91985547 
Ti      -0.27043062       3.00866317       3.00354434       2.09423187      -0.60845025       0.29612779 
O       1.73010044       4.61750978       3.12528982      -3.70141849       2.75151630      -1.33101534 
Ti       1.77052716       3.17828948       4.74663236      -1.34730408      -1.04070318      -1.33906927 
Ti      -0.17387866       4.04547495       4.41727404       0.43800870      -1.23502891      -0.64706258 
O       3.01129231       3.01258782       3.16911338      -6.70872716      -1.92580863      -3.82438556 
O       4.30454100       4.58435788       2.95588739       2.69661774      -2.09778702      -3.85473710 
O       4.45297513       2.84610165       4.36894099       8.14906568      -1.18403881       6.79764566 
O       3.28693904       4.53238783       4.74404962      -0.52712799       3.29676925       5.16764649