256 Lattice="15.868090795152238 0.0 0.0 0.0 15.868090795152238 0.0 0.0 0.0 15.868090795152238" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1128.1831001816201 pbc="F F F" Ti 0.02532792 0.01802733 -0.02712870 22 1.19303685 1.16846271 1.18925505 Ti 2.02079478 1.95843167 -0.03697524 22 -0.59696450 -0.52270017 0.22186466 Ti 1.99086336 -0.01630209 1.97049161 22 -0.51880230 0.31162039 -0.50921224 Ti -0.02760100 2.00777550 1.94671438 22 0.23908097 -0.61919490 -0.48007566 Ti 3.98133275 0.03886826 -0.02961522 22 -0.03288933 0.68224219 0.79171863 Ti 5.93195435 1.99407245 0.00557567 22 0.07692986 -0.54956533 -0.05346545 Ti 5.93281966 -0.01612593 2.00973409 22 -0.01988944 0.04006178 -0.46454543 Ti 3.99442859 1.99880060 1.94680000 22 -0.17802847 -0.82354071 -0.52115643 Ti 7.92621892 -0.02697880 0.03787214 22 -0.00202227 0.84665717 0.78642326 Ti 9.87329162 2.00473787 -0.00116011 22 0.08915185 -0.55691276 0.11719412 Ti 9.94365050 0.00707397 2.01338976 22 -0.10031620 0.06817551 -0.55266576 Ti 7.87862143 1.97820557 2.00305100 22 0.20709159 -0.82830364 -0.75029482 Ti 11.89646312 -0.02156264 0.00882355 22 0.30490498 1.05078622 1.02774484 Ti 13.87587511 2.01086730 0.02553247 22 -0.97391365 -0.35270183 0.92519006 Ti 13.85151602 0.02557985 1.96070012 22 -1.00296450 0.98398723 -0.32644995 Ti 11.87831112 2.02226145 2.01879371 22 0.88530495 -0.93142875 -0.99253028 Ti 0.00583724 4.01519152 0.00747595 22 0.75394093 -0.04796112 0.72769876 Ti 1.96390111 5.97976917 0.00088744 22 -0.39886319 -0.13549885 0.10348656 Ti 1.95257792 3.91993855 2.00430613 22 -0.60633022 0.17206619 -0.77096687 Ti -0.00413667 5.93130835 1.95455010 22 0.04277172 -0.00640795 -0.38656803 Ti 4.00881429 3.94528469 0.03019290 22 -0.17100314 0.10092551 -0.12839334 Ti 5.94173538 5.92249039 -0.00181727 22 0.03864829 0.07254175 0.00126841 Ti 5.95384885 3.93752800 1.95886163 22 -0.00226455 0.24279641 -0.42234772 Ti 3.99506552 5.93429533 2.01038698 22 -0.05217969 -0.08747260 -0.64816830 Ti 7.92083183 3.91911666 0.01976812 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0.76327674 0.79166076 -0.06483952 Ti 1.96935438 2.01116258 3.99230373 22 -0.66706877 -0.92536988 -0.20559776 Ti 1.98902385 -0.01749740 5.92373827 22 -0.45097880 0.07188641 0.12855833 Ti 0.05339470 2.01788715 5.93756078 22 -0.09980965 -0.53701548 0.06165534 Ti 3.95015544 0.02382760 4.03414063 22 0.05448564 -0.04877860 -0.17820035 Ti 5.96041591 1.98192006 3.94535672 22 -0.05020135 -0.60234756 0.01748608 Ti 6.00188872 0.03552957 6.01591268 22 -0.13611189 -0.15270883 -0.14468090 Ti 3.99853362 2.00064773 5.91283446 22 -0.00619693 -0.65839125 0.18519074 Ti 7.91433186 -0.03105098 3.95493246 22 0.10991638 -0.00975163 0.08654186 Ti 9.91817259 1.98869722 3.95411794 22 -0.19233938 -0.65865090 0.11295098 Ti 9.94923238 -0.01824571 5.99481020 22 -0.13655525 -0.04757748 -0.13564612 Ti 7.88527783 1.94491780 5.94495381 22 0.18724289 -0.47049012 -0.04442094 Ti 11.86154328 0.02356221 3.96764702 22 0.57412407 -0.02864976 0.03622597 Ti 13.85435991 2.01537863 4.00516650 22 0.01784196 -0.54893260 -0.04462364 Ti 13.90590035 -0.02299872 5.97879897 22 -0.87967841 0.85084863 0.00786722 Ti 11.89208117 1.96134232 5.91912287 22 0.76776623 -0.70846116 0.11976830 Ti -0.02287843 3.95215138 3.94807098 22 -0.04497469 0.06545132 -0.04516181 Ti 1.98394664 5.96786202 3.95557948 22 -0.51892185 -0.15468993 -0.08969187 Ti 2.01179643 3.96284908 5.92938839 22 -0.67749131 0.16018475 0.20208889 Ti 0.06119037 5.99991113 5.88062746 22 -0.18068107 -0.14878666 0.16606430 Ti 3.93378814 3.93330469 3.99994683 22 0.20620038 0.21488966 -0.21248061 Ti 5.96820324 5.98883045 3.98144852 22 -0.16559506 -0.27944596 0.00774721 Ti 5.99945753 3.95351834 5.91376061 22 -0.05406362 0.16459437 0.13222048 Ti 3.94366001 5.93028292 5.95530887 22 0.19454662 0.01145671 0.08971874 Ti 7.95214999 3.99793775 3.92994773 22 -0.03684265 -0.04728648 0.14283328 Ti 9.91339640 5.92118236 3.94062514 22 0.13466002 0.09621660 0.12462364 Ti 9.93808254 3.92846991 5.95204566 22 -0.16996303 0.13996175 -0.06315284 Ti 7.97000861 6.01485526 5.91099718 22 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9.91716366 9.86457883 3.95146213 22 0.00649991 0.10634898 0.11652925 Ti 9.92700703 7.89885517 6.00662301 22 0.07814118 0.17057407 -0.20227584 Ti 7.96338789 9.88376600 5.91337090 22 -0.07550681 0.16675030 0.13203715 Ti 11.91780389 7.94272092 3.93589848 22 0.54511007 -0.12215498 0.22763893 Ti 13.91706310 9.91418486 3.94165795 22 -0.01572005 -0.00067290 0.12453315 Ti 13.84847382 7.95542814 5.97958979 22 0.07858980 -0.00537267 -0.06754031 Ti 11.93513131 9.92064649 5.94713961 22 0.46042234 -0.03329131 0.03769499 Ti -0.02486080 11.87523288 3.96697298 22 0.13206242 0.50701970 -0.07346963 Ti 1.97602214 13.84925495 3.95180583 22 -0.47064177 -0.01286591 0.02008747 Ti 2.01525424 11.86981051 5.90441213 22 -0.88147719 0.75247060 0.18510931 Ti -0.02310050 13.86364877 5.98028771 22 0.81150732 -0.76765441 -0.04253898 Ti 3.93551857 11.88909758 4.01428984 22 0.23312833 0.48373337 -0.18006755 Ti 6.00590341 13.86360953 3.99142648 22 -0.10970792 0.05057051 -0.03280221 Ti 5.93936724 11.91531076 6.02175667 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