32
Lattice="6.3687344602769365 0.0 0.0 0.0 6.3687344602769365 0.0 0.0 0.0 6.3687344602769365" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.2184253753 stress="-0.20841203576174996 0.04815358764488513 -0.06463760520656456 0.04815358764488513 -0.09788395408703308 -0.017338067694439442 -0.06463760520656456 -0.017338067694439442 -0.24248453554794294" pbc="F F F"
Ti      -0.08181871      -0.00675932       0.05402247      -0.18267096      -0.73163924      -0.52602165 
O       1.46401745       1.63435166      -0.24520479       2.55599452      -0.00725016      -3.28641119 
O       1.56687714       0.12988511       1.51214650       1.30390098      -2.84643305      -1.58552407 
O      -0.13977834       1.36759695       1.69248387      -3.79743330       0.62543851      -0.83882821 
Ti       3.14796096       0.20703266       0.32364686       0.82261256       1.19564407      -0.03167868 
O       4.57674661       1.79926480       0.21593242      -0.25918936      -1.46327157       0.57293105 
Ti       4.82513430       0.16564762       1.68286123      -0.77005416       0.66799571      -0.49240807 
Ti       3.29478603       1.78359050       1.63753845       1.27778335      -0.45083372      -0.58320349 
O      -0.12140108       3.00113149       0.11310106      -3.92269036       1.00817168      -1.91628440 
O       1.64044637       4.55477998       0.07084939       2.82633968       0.48374511      -3.24374343 
Ti       1.64721185       3.19014520       1.72969822       1.12181370       2.79725175      -0.63543879 
O       0.18816732       4.71710351       1.74954325      -2.65006985       1.62346603       2.32804974 
Ti       3.18399952       3.01880099      -0.04306514      -0.39965677       0.41879279       0.55219167 
O       4.82339444       4.74877787       0.22619910       0.49125170       0.11446176      -0.77450698 
Ti       4.69567866       3.44932636       1.79851000      -3.10024246      -1.21925533       0.13784356 
Ti       3.27618642       4.71420249       1.38104630      -2.30749761      -1.53798184       1.09484804 
O      -0.01081259      -0.04285096       3.34139303      -2.36830299      -2.17315608       1.35504199 
Ti       1.96697472       1.83526534       3.15822558       0.35433363       0.29260379       1.65355285 
O       1.42463622       0.03209238       4.76122721       0.86662490       1.79755964       1.23417559 
Ti      -0.21003844       1.35262725       4.40105302      -0.52955665      -0.04157139       0.03746016 
O       3.06743153      -0.10005163       3.22066783       1.48934115      -0.20844767       0.62782945 
O       4.63042241       1.91111733       3.08166702       2.16914565      -1.09253242       1.90331307 
Ti       4.62847139       0.23717260       4.60885916       0.11841278       0.09979414      -0.08205843 
Ti       2.99080431       1.40648100       4.56000827       1.47228920       0.50802957      -0.42503490 
O      -0.09662583       3.04055988       3.11886366      -0.40938786      -1.47581000      -0.86514193 
Ti       1.35002212       4.87566703       2.82568095       1.24132843      -1.50724937      -0.01610446 
O       1.45789628       3.21709072       4.96830121       1.72864274      -2.36380831       2.70684180 
O       0.07972240       4.88095903       4.79267054      -1.40371178       3.31412520       0.53296046 
Ti       3.26471384       3.11190810       3.01188243       0.62389721       1.81950222       0.91594019 
O       4.55356739       4.63113487       2.99434180       2.02259207       0.93253455       2.01229502 
Ti       4.78704069       3.47422401       4.61366835      -1.42211035       0.01926689      -1.13583543 
Ti       3.28741513       4.73979033       4.73736345       1.03627021      -0.59914327      -1.22705056