64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-135.077234081 pbc="F F F" Ti 0.22086729 -0.01689004 -0.22903346 22 -4.94955960 -1.87396603 -6.76298920 Ti 1.15142137 0.46613003 0.98055861 22 4.35733956 1.68723027 7.08866857 Ti 2.37409462 2.22516294 -0.15882206 22 0.21539452 -0.38095172 -0.49421599 Ti 3.59634999 3.78131475 1.33024966 22 -1.67473405 2.51034851 -6.20216580 Ti 2.79428433 0.24064375 2.76200555 22 -3.30989022 -1.32428983 -4.58813914 Ti 3.85840215 0.88656467 3.85899891 22 3.10492161 2.77200913 2.78706168 Ti -0.13726968 2.66171571 3.07174639 22 -0.80929988 -1.42619956 -0.44256328 Ti 1.16546094 4.07636534 3.80321016 22 -5.04870497 8.40000995 -7.55608516 Ti 5.94546432 0.26499873 0.04153483 22 -16.35678442 -10.98546591 -25.69561723 Ti 6.55012441 0.74045746 1.03426861 22 14.83608545 8.39294482 27.92124147 Ti 7.32316245 2.26153012 0.30145827 22 -1.49929294 1.73705949 -2.31139720 Ti 8.67982227 3.31106297 1.21744929 22 2.69178143 0.17225128 0.51936619 Ti 8.17317250 0.21440347 3.47892573 22 -4.36893984 -5.83258415 -1.59093983 Ti 8.94092265 1.56606735 3.98245906 22 6.56306401 3.81876051 0.80954383 Ti 4.39630707 2.67682157 2.40447350 22 0.95561058 -3.48028601 1.41522730 Ti 5.92663375 3.85467497 3.80938152 22 -1.63691841 0.59454094 0.61332392 Ti -0.27058365 4.65017747 0.17843495 22 -0.50632270 -2.14429612 -0.34977939 Ti 0.67994952 6.20201413 0.91957267 22 -1.46532218 -2.91361705 2.47672002 Ti 1.83832478 7.32454839 0.07964709 22 1.61364308 2.92240586 -1.17737645 Ti 3.61337361 8.32327578 1.42261970 22 -10.63446112 7.20997686 -5.52958701 Ti 3.28818839 4.60398937 2.96422878 22 -3.26237071 -3.43337178 0.73034122 Ti 4.18297782 5.79320854 3.54078463 22 7.37272303 7.02006275 2.28943668 Ti 0.23453568 8.29747839 2.16108406 22 1.01967818 0.67467825 -0.95183446 Ti 1.27203080 8.66349090 4.11824152 22 1.08283840 0.17139276 0.19645697 Ti 5.02960540 5.64290765 -0.29625796 22 0.02332683 1.27358819 0.49574810 Ti 7.02950833 6.12475624 1.22392148 22 -0.40029952 4.13770115 -2.54130318 Ti 7.12348886 8.07934823 -0.15283233 22 -1.31901426 -0.21030627 0.36497373 Ti 8.48230473 8.41110275 1.62701071 22 -0.46429301 -1.58674364 0.32801455 Ti 7.58087455 4.93115076 2.35935114 22 -0.44305249 -4.50027807 2.17994860 Ti 8.69813690 5.64216056 3.74592558 22 1.37624432 1.02816062 1.84918124 Ti 4.66448343 7.61121874 2.11226018 22 9.68388066 -5.85104865 4.07698095 Ti 6.38962272 8.55968827 3.49391834 22 -3.36194199 1.75913449 -4.32296275 Ti 0.47031537 0.47518043 4.85581625 22 -2.57829220 -3.81184551 -4.58617754 Ti 1.18959060 1.42435429 6.02401715 22 3.51636247 5.05733068 3.07403656 Ti 2.00297454 3.21875137 4.62151619 22 6.22312722 -6.27221166 4.57603987 Ti 3.71868897 3.60965398 6.34725891 22 -1.70686198 -2.76790344 1.92135472 Ti 1.83462511 0.19609263 7.46322326 22 0.14632814 -1.93503554 1.10879363 Ti 3.64096164 0.89741475 8.69480924 22 -1.07646453 -0.61308902 0.53678994 Ti 0.00811505 3.24481653 7.89302117 22 -5.94670136 -4.54468782 -2.20340829 Ti 1.10532765 4.23422129 8.54655608 22 -4.64762904 -0.39441374 1.82884517 Ti 4.53100435 0.07327613 5.41040162 22 0.20520926 -1.06712479 3.77375176 Ti 6.40224308 1.00831489 6.86705355 22 -11.51922370 16.82196079 -2.62155884 Ti 7.79357277 2.71094571 4.92626752 22 -6.47069986 -0.56093054 -5.24316221 Ti 8.60556472 3.49425818 6.03735392 22 5.25846090 2.68232231 6.66784795 Ti 7.20384740 0.02313356 7.03810700 22 16.57318322 -19.27996708 2.04047416 Ti 8.83127293 0.71206028 8.58587175 22 -1.24647030 0.72569152 -1.30127216 Ti 5.07818382 2.00409575 7.68814946 22 -1.86759056 2.23446743 0.25872480 Ti 6.25448042 4.01508942 8.75234525 22 -0.79448304 -1.15557488 1.18667679 Ti -0.25662314 4.85362037 5.18467774 22 -5.09864786 -5.46100590 0.73776276 Ti 0.46691157 6.32905582 5.50773197 22 2.60383333 3.97519621 -0.80782039 Ti 2.64811637 7.01817168 5.27161489 22 -2.60833779 -8.03671712 -2.56262431 Ti 3.34608634 8.28337470 5.87827378 22 2.86564210 8.11385187 2.58037216 Ti 2.36102597 4.94186987 8.30992513 22 5.36075929 4.36307307 0.91964373 Ti 4.03445281 5.49741658 8.37416104 22 3.18008345 1.46390591 -1.57823896 Ti -0.17241170 7.35295238 7.05413934 22 0.09551871 0.64417587 2.37707110 Ti 1.70834461 8.95484767 8.58445220 22 0.67158135 -1.30526253 -0.96115513 Ti 4.70549175 5.04527080 5.72110304 22 -6.83510217 -6.86838439 5.58253641 Ti 5.89974943 5.88395425 5.67568558 22 7.08002497 5.56906220 -9.16767927 Ti 7.34497277 7.92270812 4.71375535 22 3.94323479 -1.48877322 4.68840143 Ti 8.64260964 8.84306647 6.60697114 22 -0.98989910 -1.29118627 0.93793351 Ti 7.26459378 5.20201412 7.51948547 22 1.54326417 2.16252160 -0.65696687 Ti 8.87725473 6.77735174 8.86983378 22 -0.99340067 0.54336278 -0.59722850 Ti 5.61320450 7.11536967 7.13716159 22 1.44666921 2.29987223 1.51180739 Ti 5.88081868 8.72310369 8.53799046 22 0.28014538 -0.14161524 0.35271821