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=-24.95470301098434 stress="-0.602785857626296 0.08791720790265227 0.03431296311863539 0.08791720790265227 -0.7067900558084954 -0.08900413845902606 0.03431296311863539 -0.08900413845902606 -0.6468288225738121" free_energy=-24.95470301098434 pbc="F F F"
Ti       0.21843490       0.05921010       0.00239915       3.17367609       3.67362842       2.68068188
Ti       1.54278917       1.73520322       0.20136336      -9.55921190      -9.74309087      -1.24092621
Ti       1.59176916       0.02665278       1.42890278      -2.78587289       4.48235838      -2.73983791
Ti       0.19260741       1.34125301       1.50601457       3.43510429      -2.60830178      -5.03947481
O        2.61702112       0.08410363       0.30215972      -1.67539112      -0.89873695      -1.91297143
O        4.28502229       1.64120549       0.00618705       8.86297383      -5.76910807      -1.20240343
O        4.31654543       0.18292312       1.45410397       4.03055018      -4.81270468      -1.80866263
Ti       2.56545043       1.71547056       1.30886558      -0.98850677      -9.54515913       4.14666888
O        0.04797327       3.42932807       0.43881293      -7.97275185     -13.36405947      -9.32107884
O        1.31894863       4.75685297       0.12784938       5.79462631       8.61164203      -5.98505637
O        1.43372255       2.98887480       1.73666665      -7.06604654      -6.27519551     -22.13169953
O        0.01942903       4.79417082       1.64034692      -4.37750495      11.69296505       9.37076332
O        3.01855009       2.95887194       0.03691384     -10.46162421       3.07472160      -8.45358001
O        4.20677130       4.51748470       0.22577322      16.38891903       2.90035247     -13.23844511
Ti       4.39800925       2.93905611       1.57462898       5.83807710       2.43090055       5.16270704
O        3.03273964       4.57675992       1.38803420      -9.92452721       7.97260194      12.27818197
Ti       0.56903402       0.44184179       2.53644524       0.43853667      -0.94335520      -3.11939517
O        1.66188986       1.44564997       2.74841186       1.31618924     -14.32039771       1.96167496
Ti       1.46896056       0.21939258       4.27424178       0.16518160      -1.70271586       0.77617375
O        0.16355473       1.66717744       4.64995810      -1.81726860     -11.06314461      16.01634288
Ti       2.54068427       0.16523617       3.05045393       0.55032098      -1.54266259       0.18062363
O        4.10449816       1.49096722       2.89973873       3.63024618       1.29381588       2.38826880
Ti       4.35602302       0.00968856       4.28181889      -1.68804034       0.85333168       0.09819444
Ti       3.36847870       1.06509302       4.47315391       2.14489663      -1.94897525       1.39355521
O        0.15154029       2.78973682       3.29811016      -8.76011495      13.17743102      -8.66827035
O        1.57473240       4.26010779       2.99582161     -11.10495323      24.11561325      15.50471063
Ti       1.49943020       2.79706072       4.70103902      -0.88074303       1.67941671       2.19741828
Ti       0.17947771       4.21805683       4.42102610      -0.38846903       1.37010987       3.21937456
O        2.98688953       3.20470050       2.77493780      22.29815431      -3.78635535       7.44933897
Ti       4.46054992       4.59135648       2.93259150      -0.98853281      -1.40795982      -1.68355078
Ti       4.48439930       2.93562602       4.07126844       1.46798544       0.59751007       0.39888251
Ti       2.72400348       4.68806095       4.62643130       0.90412157       1.80552393       1.32179086