256 Lattice="16.33910910588454 0.0 0.0 0.0 16.33910910588454 0.0 0.0 0.0 16.33910910588454" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1125.9854689167848 stress="-0.002337756702864195 8.765780901166752e-05 -8.006699583761451e-05 8.765780901166752e-05 -0.0026262429090664207 7.834503350977275e-05 -8.006699583761451e-05 7.834503350977275e-05 -0.0024896079690978914" pbc="F F F" Ti 0.01009223 0.02165214 0.00340090 0.41065306 0.43479835 0.39431451 Ti 2.06510399 2.04536111 0.02729240 -0.10277563 0.10935959 -0.23757656 Ti 2.04584915 0.02616582 2.00787243 -0.09274780 -0.30604628 0.06368363 Ti 0.02596487 2.03700297 2.04941043 -0.12631810 0.04717305 -0.09851888 Ti 4.08488125 0.04245987 0.01103139 0.06586874 0.01237704 0.04537803 Ti 6.15979879 2.04626728 0.01203222 -0.09570640 0.16480551 -0.12836649 Ti 6.15304563 0.02380489 2.02854525 -0.15722363 -0.13161013 0.15744642 Ti 4.07356165 2.01313627 2.01543651 0.16349041 0.17776695 0.04625735 Ti 8.13443341 0.01402661 0.03613041 0.29010515 0.12913290 0.08579042 Ti 10.20061492 2.08249676 0.00186178 0.15651607 -0.22835407 -0.18483236 Ti 10.22172782 0.01191203 2.07381682 -0.19299385 -0.07181623 -0.12341953 Ti 8.19542420 2.08039221 2.01537995 -0.13573648 -0.21475957 0.23092758 Ti 12.25081218 0.02844647 0.02873849 -0.12986177 0.23025257 0.27319883 Ti 14.27197932 2.03208184 0.03268362 -0.22352276 0.11252049 0.18578096 Ti 14.32812327 0.02816336 2.05336946 -0.32190577 0.16125533 0.10885183 Ti 12.23501974 2.02119389 2.08031733 0.15154017 0.13198146 -0.26380250 Ti 0.03077948 4.03724647 0.01263646 0.22452168 0.05847463 0.19770067 Ti 2.05859830 6.13921077 0.03956642 -0.13878751 -0.10028504 -0.36083927 Ti 2.08176196 4.11193824 2.04826030 -0.17332423 -0.23966880 0.00521082 Ti 0.02412951 6.10513931 2.03861128 -0.18784324 0.02116223 0.13274721 Ti 4.12380662 4.07630068 0.02210960 -0.10081056 -0.01770591 -0.30601686 Ti 6.16081236 6.15216387 0.04068797 -0.20262504 -0.17216974 -0.32110492 Ti 6.09235501 4.11545709 2.06661015 0.19277013 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0.04376252 -0.28427035 Ti 6.14032708 10.21484310 0.02538913 -0.14298329 -0.07849633 -0.30465668 Ti 6.14502163 8.15317608 2.01525500 -0.15656389 0.07531798 0.25240494 Ti 4.08099432 10.18853200 2.00860758 0.06424169 0.17816925 0.16272094 Ti 8.14638247 8.16029386 0.02898475 0.34952537 0.20758497 -0.26927290 Ti 10.24360597 10.20467348 0.03530275 -0.24613524 -0.19968895 -0.23241455 Ti 10.22737069 8.13541211 2.06653242 0.04597455 0.22342473 -0.36193311 Ti 8.15522925 10.19848411 2.07234612 0.07167494 0.07862666 -0.08157957 Ti 12.29386880 8.20267947 0.00434562 -0.24375466 -0.05937560 -0.06552358 Ti 14.28474519 10.20331972 0.02982873 -0.17901414 0.19191211 0.26687509 Ti 14.29780669 8.17496698 2.07593105 0.05771306 0.12669516 -0.07941307 Ti 12.22868798 10.22481773 2.07941066 0.35368753 -0.18361866 -0.17096181 Ti 0.03550333 12.28673810 0.01789354 0.14318856 -0.32215936 0.16706035 Ti 2.04636086 14.29044641 0.00264097 0.18745555 -0.19922339 0.22778239 Ti 2.01279413 12.23685754 2.05087391 0.23714476 0.07772308 -0.11871635 Ti 0.02481896 14.29101068 2.00732267 0.20797724 -0.07001894 0.19771701 Ti 4.11589455 12.28532579 0.02955118 -0.22300481 -0.18317953 -0.22646845 Ti 6.15393672 14.29804373 0.01112307 -0.08864641 -0.03650860 0.08080056 Ti 6.16377411 12.27134850 2.01029117 -0.27175807 -0.12155275 0.53005282 Ti 4.07040738 14.26416552 2.05402567 -0.06541376 0.17156782 0.06824295 Ti 8.13409131 12.22921380 0.04069472 0.36722457 0.12507691 -0.29336949 Ti 10.23106449 14.29632943 0.03150506 -0.15490013 -0.22680391 0.18689797 Ti 10.21978633 12.21443518 2.00547318 -0.23589453 0.33393373 0.21876331 Ti 8.13267607 14.31441011 2.05391601 0.24090841 0.10264760 -0.09009431 Ti 12.22528363 12.24019050 0.00380335 0.35512051 0.06228111 -0.17261810 Ti 14.27845308 14.31773196 0.03215327 -0.38751586 -0.52897298 0.37638506 Ti 14.29198081 12.25110932 2.07485531 0.11754137 -0.12867248 -0.21952662 Ti 12.28141984 14.26447682 2.01193128 -0.15249553 0.17471497 0.22866252 Ti 0.02218243 0.02543077 4.04398213 0.15962138 0.13053815 0.02072426 Ti 2.07346688 2.04195729 4.05918341 -0.12409789 0.11493287 0.03876173 Ti 2.05226851 0.02178274 6.07334919 -0.10437203 -0.25972666 0.24048131 Ti 0.02094773 2.00840618 6.16040969 -0.14723591 0.08788048 -0.08360131 Ti 4.05381727 0.02560550 4.05096798 0.18632825 -0.29917267 -0.02419083 Ti 6.09778563 2.05942625 4.06307012 0.13174197 -0.27703913 0.10294693 Ti 6.09723198 0.00216706 6.13182433 0.02222462 -0.08122769 -0.09049892 Ti 4.04109107 2.02367674 6.15539596 0.17959908 0.17639049 -0.28276053 Ti 8.13861762 0.00873474 4.09801050 0.15389900 -0.06035926 -0.06467878 Ti 10.19054708 2.07346999 4.11750672 -0.11219210 -0.28436286 -0.16167414 Ti 10.23042988 0.01958291 6.16144050 -0.14485464 -0.30599766 -0.21260258 Ti 8.17133312 2.00808610 6.15348750 -0.22942931 0.20651871 -0.23425955 Ti 12.22801625 0.01119774 4.07539764 0.25536794 -0.15405660 0.12010794 Ti 14.31784544 2.06295631 4.05011114 0.06112717 -0.09323210 0.25633300 Ti 14.32021347 0.03043834 6.16442933 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0.19302623 -0.24320081 Ti 14.32789398 6.16125988 4.06310283 -0.04653889 -0.19209600 0.03109012 Ti 14.27825796 4.12473025 6.15281065 0.17944713 -0.31238084 -0.10824641 Ti 12.23403489 6.10598857 6.11070166 0.11839900 0.20034618 -0.10401354 Ti 0.00812533 8.18146260 4.10379727 -0.21361671 -0.12619959 -0.07971973 Ti 2.07497498 10.24124527 4.11789308 -0.18183076 -0.15044121 -0.15259755 Ti 2.04111986 8.13347901 6.09109728 0.25815205 0.15322715 0.17182510 Ti 0.02775973 10.20898640 6.12727742 -0.21836693 0.16628668 -0.09043906 Ti 4.11321694 8.17598626 4.08860190 -0.15928056 -0.08478601 -0.09908851 Ti 6.10558850 10.20740160 4.10467862 0.14876746 0.18215023 -0.27558422 Ti 6.10946292 8.15192832 6.13234068 0.18309767 0.12928421 0.20241678 Ti 4.11199288 10.22346012 6.11736346 -0.19153773 -0.18620524 0.32356252 Ti 8.19224165 8.19367677 4.06994607 -0.12482291 -0.36495614 0.16039423 Ti 10.20806257 10.18521794 4.05316870 0.12593959 0.29659777 0.14506337 Ti 10.24294995 8.19905341 6.13576128 -0.06389816 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8.17794919 -0.14128759 -0.09212643 -0.06594775 Ti 2.04632963 14.30231388 8.16995073 0.19431466 0.07454140 -0.03932940 Ti 2.05467368 12.22666863 10.18040670 -0.14650204 0.12818471 0.16084389 Ti 0.01331486 14.25752906 10.19082887 0.27206453 -0.16068366 0.22408103 Ti 4.11010171 12.24427790 8.18764796 -0.21039122 0.07532076 -0.19757348 Ti 6.14067352 14.27696831 8.13148427 -0.20901715 0.28503165 0.27564883 Ti 6.08227954 12.28411384 10.23681583 0.17605456 -0.09475958 -0.05738394 Ti 4.04490253 14.26650599 10.21950454 0.12566107 0.42262166 -0.08442099 Ti 8.14253405 12.27651789 8.18802400 0.29974711 -0.19841768 -0.14229387 Ti 10.20234347 14.31428483 8.20644622 0.26680072 0.01709239 -0.06855252 Ti 10.19124158 12.24195113 10.24282884 0.36521350 0.09684375 -0.26749745 Ti 8.18272937 14.26680864 10.19838366 -0.14664633 0.39580267 0.04271205 Ti 12.27563999 12.24449794 8.14114291 -0.15729314 0.26358970 0.17333183 Ti 14.31213887 14.29182562 8.20902306 -0.23327780 -0.20148205 -0.25993250 Ti 14.31575482 12.28041360 10.20631866 0.13365924 -0.14979380 0.13157316 Ti 12.30200546 14.32829429 10.22906678 -0.21336902 0.02390057 -0.09483133 Ti 0.00374963 0.01807693 12.29272127 0.23651211 0.21706704 -0.29145098 Ti 2.05924337 2.05186901 12.27227463 -0.09252878 -0.15908774 -0.15371339 Ti 2.02142554 0.03258027 14.26928339 0.19716561 -0.00036628 -0.11358536 Ti 0.03409612 2.02891433 14.29080103 0.07107386 0.24848972 -0.16539017 Ti 4.12455764 0.01231749 12.28803123 -0.47467851 -0.24986125 -0.19262473 Ti 6.11347588 2.00380017 12.24003427 0.02007417 0.43206037 0.14718240 Ti 6.15595807 0.01650436 14.23570113 0.06589154 0.12709441 0.06559346 Ti 4.04626379 2.01846698 14.29880820 0.22741341 0.22279513 0.13542489 Ti 8.19007772 0.00045335 12.23542863 -0.07083828 -0.15200738 0.14445243 Ti 10.22797499 2.02484218 12.24744814 -0.14668040 0.09486132 0.22986525 Ti 10.22107138 0.00406648 14.26021226 0.06652474 0.26974360 -0.12612138 Ti 8.16888486 2.07193289 14.30151908 0.21518081 -0.25487541 0.04103514 Ti 12.28889994 0.02931141 12.26936310 -0.07900518 -0.11955111 -0.17525784 Ti 14.27470333 2.06165719 12.23819529 0.18086959 -0.06809827 0.15660680 Ti 14.29571691 0.03056900 14.27836321 -0.40748458 0.46396687 -0.37249481 Ti 12.26439169 2.08473890 14.30491106 -0.02378312 -0.25217778 0.17652796 Ti 0.01355695 4.11016066 12.27817607 -0.21742517 -0.29286256 -0.17844849 Ti 2.00333006 6.12961976 12.23174954 0.37286608 -0.12735941 0.14086333 Ti 2.03647487 4.07241061 14.29664832 0.12618598 0.08218661 0.14335419 Ti 0.01921926 6.09810984 14.25357851 0.05775850 0.05207130 0.08217809 Ti 4.05918137 4.11445933 12.21459399 0.17613150 -0.26831854 0.35194268 Ti 6.11149261 6.15951622 12.27091550 0.21991067 -0.22216220 -0.07106537 Ti 6.16104726 4.04756974 14.27328768 -0.36856558 0.09130978 0.15644471 Ti 4.10276179 6.10818386 14.30009748 -0.18717586 -0.09923672 0.16708108 Ti 8.15519798 4.08506912 12.29247226 0.06623094 -0.10872403 -0.42092365 Ti 10.19637769 6.09241717 12.26428026 0.23211234 0.10567549 -0.08406907 Ti 10.23442692 4.10489208 14.29476632 -0.10161371 -0.24364915 0.33316173 Ti 8.20452880 6.11817406 14.30293928 -0.24556114 0.05727635 0.27136400 Ti 12.23529656 4.05625884 12.29413365 0.18010889 0.19892636 -0.24118830 Ti 14.33011880 6.08914260 12.23660967 -0.08001288 0.13320639 0.14422324 Ti 14.26331720 4.12371501 14.32045106 -0.07909436 -0.11032869 -0.19889823 Ti 12.22588456 6.12827717 14.27206581 0.19520254 0.26323367 0.08804145 Ti 0.03035667 8.13744933 12.26938885 -0.43031161 0.26959973 -0.11505393 Ti 2.01550921 10.18021195 12.21096044 0.38094512 0.14643825 0.23913201 Ti 2.01542174 8.14463657 14.25990459 0.25524539 0.12877548 0.28938927 Ti 0.02504325 10.24172449 14.28125782 0.13133785 -0.10765106 -0.11910389 Ti 4.08437766 8.13938276 12.29073416 -0.28201932 0.16934616 -0.11084571 Ti 6.10052858 10.18025424 12.26383463 0.16119901 0.24862588 -0.03906000 Ti 6.10425694 8.17383194 14.32739643 0.15662059 -0.03171346 0.29140217 Ti 4.11091263 10.25613323 14.29333689 -0.40363942 -0.09560275 0.04923252 Ti 8.14858132 8.15545056 12.28993409 -0.02325580 0.09282727 -0.08075309 Ti 10.18894311 10.19640213 12.24416271 0.14738656 0.16358503 0.23830845 Ti 10.17157629 8.17389905 14.33384725 0.28463438 0.05010629 0.07973099 Ti 8.17611981 10.22258504 14.29288713 -0.09189463 0.18446842 0.08354114 Ti 12.25067032 8.19004989 12.26141194 0.05614895 -0.16293637 0.19954126 Ti 14.33515988 10.21463673 12.27307367 0.07846688 0.16797812 -0.07444708 Ti 14.33547297 8.17799455 14.28834257 -0.30588384 -0.14138627 -0.24422656 Ti 12.29191447 10.23750023 14.29945050 -0.21711580 -0.05287476 0.02625439 Ti 0.03245276 12.23623440 12.26963537 -0.12917407 0.21343450 -0.13723516 Ti 2.07198639 14.27568058 12.29516332 -0.24352102 0.12510916 -0.24769114 Ti 2.02549016 12.26862168 14.30158524 0.18538288 -0.14462912 0.08505428 Ti 0.03406070 14.31070762 14.30698751 0.36506713 -0.41866691 -0.42008710 Ti 4.10549678 12.29252283 12.22421614 -0.24256631 -0.27056487 0.34708815 Ti 6.16528884 14.31246143 12.24292844 -0.27146846 0.24518312 0.06243723 Ti 6.10968981 12.25911505 14.28215584 0.10249515 0.11486890 0.08363876 Ti 4.04539422 14.30579062 14.31955435 0.18576512 -0.21120748 -0.21724969 Ti 8.15944641 12.28899023 12.21560776 -0.00945134 -0.26496391 0.43151500 Ti 10.23267662 14.29587719 12.23800054 0.00343828 0.17670407 0.18587911 Ti 10.22665381 12.29115185 14.33392519 -0.07242898 -0.13193594 -0.09550247 Ti 8.13578339 14.29661394 14.28668434 0.15279586 -0.20562939 -0.19354536 Ti 12.26158374 12.27938965 12.23737651 0.00368906 -0.16182866 0.07204214 Ti 14.31326157 14.27288149 12.24914721 -0.21546420 -0.11304696 0.01717537 Ti 14.27118629 12.27835975 14.27340716 -0.10017707 -0.12088841 -0.15800242 Ti 12.26511898 14.28587915 14.32887662 -0.07912941 -0.13930592 -0.35863169