500 Lattice="20.57493720629828 0.0 0.0 0.0 20.57493720629828 0.0 0.0 0.0 20.57493720629828" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2242.2640806797517 pbc="F F F" Ti 0.00762623 -0.01691013 -0.01350536 22 0.49060093 0.56212416 0.49843148 Ti 2.02886324 2.08266289 -0.03214347 22 0.12581576 -0.27417845 -0.00994292 Ti 2.04953244 0.04031799 2.02677390 22 -0.02005868 -0.11264113 0.09406928 Ti 0.01646575 2.06154900 2.04578154 22 -0.08184807 -0.02621344 -0.00673540 Ti 4.14195103 -0.02769205 0.02720082 22 -0.11612348 0.49997276 0.28659566 Ti 6.20090925 2.07335324 -0.03808063 22 -0.13904488 -0.17789169 0.27417822 Ti 6.13651449 -0.02798507 2.09677844 22 0.18813934 0.12279013 -0.28648142 Ti 4.07505350 2.07951196 2.09418556 22 0.32223268 -0.24765352 -0.39412834 Ti 8.26521663 -0.02250894 0.03099284 22 -0.19305431 0.33697524 0.38303400 Ti 10.25630216 2.05199004 -0.00125044 22 0.07744110 0.18536127 0.08478406 Ti 10.29710131 -0.00223606 2.07196926 22 -0.00423613 -0.10370883 -0.06973527 Ti 8.24924545 2.08587001 2.08397851 22 -0.16797002 -0.29377606 -0.34487531 Ti 12.31066567 0.02653395 -0.02366205 22 0.10627494 0.30110923 0.38430202 Ti 14.37885026 2.09768915 0.03659835 22 0.21402657 -0.32201204 -0.24328703 Ti 14.40869025 0.03186377 2.06524852 22 0.00558560 -0.15293217 -0.06464233 Ti 12.35225445 2.05853777 2.07073325 22 -0.23532303 -0.09991307 -0.25392107 Ti 16.42786256 -0.01414272 0.02157040 22 0.02895958 0.39788213 0.31294782 Ti 18.52959423 2.02227008 -0.03004147 22 -0.45244983 0.11850304 0.46316186 Ti 18.55655406 -0.03069164 2.05557223 22 -0.49179834 0.49919991 0.09201623 Ti 16.47968499 2.04037450 2.03870585 22 0.15939706 -0.12074295 0.05781469 Ti -0.00946577 4.08439263 -0.02556912 22 0.34201980 0.13270606 0.37054848 Ti 2.09782625 6.17227026 0.02787806 22 -0.32979733 -0.18633803 -0.18795733 Ti 2.08189266 4.09115355 2.05000462 22 -0.34975864 0.11034591 0.14896295 Ti 0.05310784 6.13813217 2.08611733 22 -0.14201769 0.05559349 -0.22938261 Ti 4.07411519 4.11969963 0.00492178 22 0.20727134 -0.13112614 -0.16447533 Ti 6.16298279 6.20508821 0.03935991 22 -0.00450463 -0.09868734 -0.26076623 Ti 6.17024169 4.14693475 2.02715371 22 0.01584327 -0.29266617 0.11038791 Ti 4.14872256 6.13511329 2.08021838 22 -0.17616084 0.15960750 0.01543173 Ti 8.21435287 4.15355895 0.01936631 22 0.09815669 -0.05446835 -0.13662292 Ti 10.33631391 6.13525660 -0.02262415 22 -0.20392753 0.10967101 -0.10107187 Ti 10.25153003 4.16620503 2.09781736 22 0.36197370 -0.38071912 -0.41699591 Ti 8.26063777 6.18858925 2.05498980 22 -0.12307979 0.05696318 -0.29576105 Ti 12.36109325 4.09330884 -0.03278650 22 -0.17941772 0.07693499 0.05898477 Ti 14.42882654 6.19655963 -0.03655534 22 -0.20333944 -0.13787754 0.12001399 Ti 14.36560125 4.07647134 2.04675405 22 0.26201987 0.39231667 0.08896531 Ti 12.30831762 6.19878812 2.05288498 22 0.39944479 -0.18490898 0.02779810 Ti 16.46104254 4.13144205 -0.01489495 22 0.07087005 -0.09520436 0.05487898 Ti 18.53634875 6.16473681 0.00403634 22 -0.30835080 0.05146278 0.26846521 Ti 18.49842511 4.11955468 2.05285659 22 0.07022450 -0.17204367 -0.13858003 Ti 16.46584863 6.21117625 2.06174503 22 -0.03125342 -0.32069644 -0.11737675 Ti 0.02599226 8.26030431 -0.00583249 22 0.26883927 -0.10040163 0.37821054 Ti 2.08804402 10.26641149 0.02213962 22 -0.28310366 0.11427740 -0.13503811 Ti 2.07598692 8.16958710 2.03086284 22 -0.21967078 0.29127081 0.24555497 Ti 0.00751377 10.32077085 2.07859152 22 0.06349146 -0.23427180 -0.13435794 Ti 4.08923286 8.18304138 0.00526415 22 0.20796029 0.10545198 -0.11042339 Ti 6.15045333 10.25089995 0.01228014 22 0.13523556 0.11531524 0.07243530 Ti 6.20434600 8.19503424 2.09318237 22 -0.18264033 0.29465788 -0.20259979 Ti 4.07686043 10.26314216 2.02739608 22 0.27568146 -0.04594128 0.34630188 Ti 8.22712982 8.21362076 -0.03804119 22 0.15208560 0.03257035 0.12736128 Ti 10.26423606 10.28852846 -0.01211287 22 0.05174388 -0.07834689 0.04604575 Ti 10.30359716 8.20611529 2.07463902 22 -0.16798205 0.18553741 -0.34739427 Ti 8.24714478 10.30784423 2.09824279 22 -0.16422909 -0.24601722 -0.38219652 Ti 12.31719879 8.23426038 0.00976046 22 0.10742623 0.09779984 -0.07267827 Ti 14.39534139 10.28339588 0.00783405 22 0.14817400 -0.10448237 0.02764727 Ti 14.39368718 8.22484505 2.08116540 22 -0.14049185 0.07830426 -0.19351998 Ti 12.34502987 10.32000995 2.09027797 22 -0.01674418 -0.28160552 -0.25204770 Ti 16.44463584 8.20894124 -0.03085093 22 0.22523493 0.19797233 0.08800555 Ti 18.55109856 10.25736689 -0.01037609 22 -0.38390215 -0.09953896 0.34975205 Ti 18.51692679 8.19683510 2.08780043 22 0.07723996 0.12629942 -0.14366879 Ti 16.48905668 10.27280258 2.08138020 22 -0.17860255 0.12199492 -0.37536869 Ti -0.02395973 12.31300652 0.01156572 22 0.48229980 0.15391931 0.35688243 Ti 2.06409420 14.42967886 0.02608346 22 -0.14127565 -0.17761409 -0.11916200 Ti 2.07847922 12.35248626 2.08791792 22 -0.31418828 -0.01488803 -0.10580880 Ti -0.01468501 14.43113863 2.08371770 22 -0.06405045 -0.32135301 -0.16231461 Ti 4.09780705 12.32506701 0.01771195 22 0.14443903 0.16358426 -0.14036315 Ti 6.19532941 14.43811402 0.01463528 22 -0.12569756 -0.28099561 -0.20106880 Ti 6.18502353 12.37829422 2.09355340 22 -0.20862522 -0.28569797 -0.40686073 Ti 4.08764117 14.40080540 2.03125455 22 0.22498578 0.09452782 0.17953701 Ti 8.25271164 12.36726848 0.03584873 22 -0.21952060 -0.11118212 -0.17239786 Ti 10.28069970 14.42023159 -0.03910573 22 0.15283892 -0.14470724 0.11931341 Ti 10.26457439 12.34211729 2.06086568 22 0.24059726 0.23154693 -0.21016119 Ti 8.19422509 14.40783534 2.06282462 22 0.24435656 0.23703177 -0.00830208 Ti 12.35835752 12.30764859 0.02450737 22 -0.25280953 0.18323320 -0.18234766 Ti 14.36468425 14.39939326 0.00803521 22 0.17933497 -0.13201204 -0.19019828 Ti 14.36145701 12.36503189 2.04734801 22 0.49980189 -0.02823155 0.10731800 Ti 12.34868847 14.43551193 2.07013158 22 -0.18092857 -0.07494212 -0.10613975 Ti 16.48206591 12.31954364 -0.01683163 22 -0.15963715 0.00829401 0.01506573 Ti 18.50812136 14.37946014 -0.00442743 22 -0.28448898 0.15433699 0.27611852 Ti 18.50587147 12.32490532 2.01799359 22 0.09510907 0.10315379 0.13736105 Ti 16.43857470 14.41298512 2.03637478 22 0.14714922 -0.11346085 0.09996877 Ti 0.02934008 16.43574878 -0.02193436 22 0.31939563 0.10586532 0.42240850 Ti 2.06148112 18.54204804 -0.03616726 22 0.07726177 -0.58146454 0.51693745 Ti 2.02301956 16.42497412 2.09164587 22 0.17161516 0.52782242 -0.38599162 Ti 0.01832823 18.52162353 2.07418208 22 0.40104059 -0.41651799 -0.05099150 Ti 4.15392356 16.43798229 -0.01241440 22 -0.40322905 0.10474542 -0.13622372 Ti 6.14824708 18.49643701 0.00906525 22 0.26557135 -0.18849070 0.08785199 Ti 6.15376591 16.47142443 2.02054325 22 0.25657421 -0.03377867 0.37073499 Ti 4.13630469 18.48699702 1.99985634 22 -0.34854406 0.11566436 0.17275251 Ti 8.25126626 16.41995901 -0.02307050 22 -0.01763630 0.39998176 0.00880132 Ti 10.31513976 18.54654226 -0.04101155 22 0.02843693 -0.48508639 0.44921089 Ti 10.25778851 16.46504366 2.06906943 22 0.06205600 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4.12867404 -0.00384709 4.15022658 22 -0.28313908 -0.22405836 -0.24389778 Ti 6.18575446 2.02244263 4.07643815 22 -0.07643969 0.39819035 0.03781748 Ti 6.16676725 0.00899911 6.14019605 22 0.11428617 -0.18851229 0.26242707 Ti 4.14509579 2.02656676 6.14357169 22 -0.14647690 0.10196045 0.25405049 Ti 8.21217120 0.01016128 4.13046791 22 0.16544067 -0.24529317 -0.16248491 Ti 10.32280233 2.01464275 4.07698355 22 -0.04888374 0.14967303 0.35510800 Ti 10.26168053 -0.02078436 6.20102139 22 0.29893084 -0.01708860 -0.23698385 Ti 8.22220634 2.04892564 6.15034286 22 0.05596334 0.08714128 0.07469433 Ti 12.37788919 -0.03242345 4.10508095 22 -0.21187657 -0.14749537 0.09060132 Ti 14.37849393 1.99711456 4.14888116 22 0.42650030 0.17908934 -0.14546621 Ti 14.36977685 -0.01241700 6.20352584 22 0.24254875 -0.12537377 -0.05283162 Ti 12.37949285 2.07366341 6.16376516 22 -0.35266658 -0.21180646 0.13145672 Ti 16.50052672 -0.02524659 4.15610280 22 -0.09912346 0.13811569 -0.11923425 Ti 18.53533612 2.06660868 4.15156889 22 0.00625011 -0.16217991 -0.20264986 Ti 18.51113196 -0.00205910 6.20491048 22 -0.23009549 0.30013953 0.06384323 Ti 16.48996559 2.08360405 6.22023297 22 -0.15254798 -0.50970404 -0.31870530 Ti -0.03673851 4.11685732 4.13679431 22 0.14325741 -0.20656332 -0.01827977 Ti 2.04338596 6.18067463 4.14108682 22 0.12570812 -0.23816775 -0.18291177 Ti 2.07281330 4.11719490 6.20320140 22 -0.23534784 -0.13005379 -0.23996552 Ti 0.03865813 6.20553782 6.13250083 22 -0.31272523 -0.26201082 0.09106512 Ti 4.12484123 4.13102159 4.14225244 22 -0.08565717 -0.13888498 -0.13095783 Ti 6.20371692 6.17097631 4.10819294 22 -0.12937557 -0.13116719 -0.02448681 Ti 6.13908470 4.14244413 6.19291840 22 0.34545993 -0.28113363 -0.15636951 Ti 4.14465780 6.16082036 6.15473326 22 -0.11935593 0.35167775 0.10218511 Ti 8.24219194 4.12912582 4.09330246 22 -0.19155034 -0.11519052 0.32644413 Ti 10.24640267 6.16721958 4.10250514 22 0.15828016 0.02447144 0.30019719 Ti 10.29298620 4.11518596 6.21295919 22 -0.14114672 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4.09158455 8.21243348 4.12413213 22 0.15972947 0.12142918 -0.09641748 Ti 6.20530435 10.29733657 4.12695912 22 -0.16418294 0.00877508 -0.10938367 Ti 6.21129396 8.25133880 6.14374017 22 -0.40191400 -0.11125101 0.12794009 Ti 4.14983644 10.30275768 6.20426600 22 -0.15290436 -0.12513389 -0.22937114 Ti 8.22803886 8.19097361 4.09988030 22 0.20324916 0.24517313 0.11563919 Ti 10.29240265 10.25727035 4.07716866 22 -0.05748049 0.18614560 0.40718138 Ti 10.32455653 8.21403482 6.18539992 22 -0.30085209 0.15786231 -0.01519776 Ti 8.20717262 10.26317865 6.19686625 22 0.30501867 0.15677134 -0.34742424 Ti 12.32356520 8.25719345 4.14697369 22 0.17553824 -0.17622637 -0.22167851 Ti 14.38817107 10.29773881 4.15475620 22 0.04526479 0.16832456 -0.25928331 Ti 14.41093074 8.21685137 6.13700378 22 -0.02886317 0.16462097 0.27908196 Ti 12.36809040 10.28341868 6.21126774 22 -0.28171825 0.18584509 -0.05991666 Ti 16.42375074 8.26805582 4.08584629 22 0.40533454 -0.17877926 0.20244122 Ti 18.50223470 10.30994198 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18.48975121 14.38587664 8.22048725 22 0.24192536 0.07509982 -0.04810385 Ti 18.52845100 12.37485281 10.30849827 22 0.13462519 -0.22796120 -0.19417317 Ti 16.50423384 14.42834996 10.25092686 22 -0.28371922 -0.15331055 0.12891245 Ti -0.00245686 16.45089173 8.20764546 22 0.08015674 0.07930868 -0.00572512 Ti 2.08567887 18.54304514 8.20982034 22 -0.19521944 -0.05307374 0.21672083 Ti 2.06318181 16.43573541 10.32748163 22 -0.15542296 0.28449197 -0.21047435 Ti -0.02794981 18.48739400 10.24305692 22 0.41481870 -0.31292181 0.05557536 Ti 4.08793224 16.43825096 8.19155223 22 0.14762242 0.31040791 0.19425197 Ti 6.17422644 18.49329644 8.26251289 22 -0.12379456 -0.00884351 -0.22157953 Ti 6.13552416 16.42991101 10.27885304 22 0.14744455 0.17010386 0.22026623 Ti 4.14854911 18.55504019 10.28815223 22 -0.26968364 -0.11254039 0.04263703 Ti 8.26050825 16.45619682 8.26194332 22 -0.16262571 0.16128927 -0.02602960 Ti 10.32692374 18.51988887 8.20061078 22 -0.19288745 0.09721306 0.16116428 Ti 10.27155546 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14.40005568 22 0.05992273 -0.12679299 0.05255364 Ti 4.11295560 0.02447302 12.35521486 22 0.07651602 -0.24095029 -0.17860627 Ti 6.19872762 2.03472924 12.31362554 22 -0.24150724 0.18882878 0.18914747 Ti 6.20425368 -0.01980316 14.37611193 22 -0.31257695 -0.00799969 0.25509419 Ti 4.11189998 2.08231375 14.36551064 22 0.27490588 -0.27980819 0.34435435 Ti 8.21142578 0.00824643 12.38058629 22 0.16799093 -0.38336230 -0.36813959 Ti 10.27590620 1.99240181 12.37045271 22 0.22878147 0.15518007 -0.07845191 Ti 10.26483013 -0.02658223 14.43884289 22 0.17614103 -0.07113966 -0.08293138 Ti 8.21220481 2.02001393 14.36314638 22 0.11060011 0.33886411 0.37669410 Ti 12.36478875 -0.03265569 12.33134790 22 -0.11546031 0.08354531 0.11844918 Ti 14.41961967 2.06108062 12.37239163 22 -0.21521008 -0.09313549 -0.17785086 Ti 14.39814175 -0.02922334 14.41447505 22 0.07278723 0.10286781 0.16763230 Ti 12.35962133 2.08028206 14.43693889 22 -0.09008232 -0.33656543 -0.10009671 Ti 16.43135797 -0.02975522 12.32851155 22 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8.26924684 12.32363459 22 0.29842974 -0.33360024 0.15672771 Ti 18.48781586 10.31088901 12.37309292 22 0.26278663 -0.21544521 -0.17520621 Ti 18.49023587 8.19691081 14.37968671 22 0.10928935 0.15937769 -0.00350085 Ti 16.42088846 10.28553226 14.38474772 22 0.24468012 -0.14480906 0.18515483 Ti 0.02559934 12.37742037 12.30628199 22 -0.21249853 -0.20524965 0.07667793 Ti 2.01050679 14.39070674 12.34612329 22 0.20469042 0.09395187 -0.06714191 Ti 2.08582065 12.32950113 14.39108867 22 -0.24493749 0.20836357 0.19171018 Ti -0.02998388 14.42877055 14.36705908 22 0.05963801 -0.06785196 0.30117798 Ti 4.12645223 12.35606139 12.30917352 22 -0.23142505 -0.12708114 0.24196572 Ti 6.13548486 14.37656652 12.38555557 22 0.23782776 0.13644903 -0.14056345 Ti 6.18128663 12.31287065 14.43641028 22 -0.18113667 0.27752716 -0.26328768 Ti 4.09447577 14.36509086 14.41739443 22 0.05719680 0.10406407 0.12471323 Ti 8.26898647 12.32331582 12.36813781 22 -0.20135014 0.34646773 -0.15631272 Ti 10.31445269 14.44252437 12.38065607 22 -0.23900236 -0.34509655 -0.14241490 Ti 10.25092721 12.32928802 14.38056667 22 0.21854958 0.14689946 0.26375659 Ti 8.20067250 14.44315112 14.44191952 22 0.22679662 -0.22773589 -0.19286326 Ti 12.32242197 12.32030751 12.31256145 22 -0.03065523 0.17526531 0.16858585 Ti 14.42719639 14.44218762 12.32074580 22 0.01128698 -0.10417093 0.11646532 Ti 14.38119708 12.33230429 14.38266649 22 0.02241003 0.09749737 -0.07431276 Ti 12.36446765 14.39867694 14.38930010 22 0.07519794 -0.15597675 0.11134842 Ti 16.49696056 12.32397545 12.31920431 22 -0.17833364 0.38469587 0.11940360 Ti 18.54886313 14.41632368 12.30092872 22 -0.01184047 0.01713535 0.27176735 Ti 18.52472324 12.33449542 14.40128232 22 0.03803750 0.14225310 0.10881784 Ti 16.42295501 14.37332048 14.40549126 22 0.27006444 0.10831521 -0.24246045 Ti -0.03868712 16.49226692 12.38434275 22 -0.00066538 -0.09863047 -0.28584221 Ti 2.03073630 18.49699800 12.35345109 22 -0.06935583 0.25796830 -0.20549420 Ti 2.09501869 16.47616482 14.36550124 22 -0.52343797 -0.23416342 0.27422887 Ti -0.01082943 18.51974407 14.40451683 22 0.27702951 -0.30408452 0.13591324 Ti 4.08629164 16.48906731 12.37148195 22 0.21968109 -0.26496306 -0.26702728 Ti 6.15236907 18.51946742 12.38453605 22 0.07667944 0.08435787 -0.29157836 Ti 6.18589488 16.46542826 14.39005177 22 -0.26361419 0.05986246 0.25099331 Ti 4.09308550 18.49837055 14.37687392 22 0.09498616 0.34305247 0.17074418 Ti 8.23005276 16.47509206 12.35929922 22 -0.12400938 -0.14206599 -0.21458331 Ti 10.25708407 18.52110648 12.36221934 22 0.14544410 0.06876664 -0.12425919 Ti 10.31045788 16.43255366 14.42383162 22 -0.16256235 0.28082050 0.04105108 Ti 8.21944818 18.48056479 14.36638723 22 0.06729545 0.20413437 0.37401901 Ti 12.30531219 16.44326434 12.34744584 22 0.29980549 0.30486102 -0.14372361 Ti 14.39841431 18.54502177 12.33248619 22 0.08502944 -0.04960721 -0.06970583 Ti 14.39791336 16.49739302 14.40521881 22 0.15558356 -0.18204775 -0.02495143 Ti 12.33496975 18.50283637 14.36243898 22 -0.03107978 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0.18882378 Ti 12.35845912 14.40478080 18.50212680 22 -0.02080920 0.22716989 0.17923715 Ti 16.47796575 12.33616054 16.42982702 22 0.19164205 -0.08648924 0.26653483 Ti 18.49074492 14.43837945 16.46967816 22 0.30502963 -0.36454756 -0.15428697 Ti 18.54579849 12.30587818 18.51116675 22 -0.39873891 0.09226705 -0.35990145 Ti 16.49312108 14.39901032 18.48897139 22 -0.10994920 -0.12412067 0.31714521 Ti 0.02683138 16.45077026 16.49946586 22 -0.04624215 0.12159414 -0.26330390 Ti 2.04942719 18.49089645 16.42049176 22 -0.05007107 0.13369322 0.24394638 Ti 2.03893320 16.49212481 18.54257677 22 0.26037549 -0.06589441 -0.03421250 Ti 0.02447740 18.51795271 18.53495358 22 0.46880533 -0.43380617 -0.52086530 Ti 4.07561076 16.48843654 16.44041980 22 0.09387436 -0.18124278 0.22027748 Ti 6.13377342 18.53290182 16.48128692 22 0.01716922 0.01904260 -0.28044960 Ti 6.11662645 16.47451302 18.48215082 22 0.15486131 -0.12757058 0.08685811 Ti 4.11250583 18.55120824 18.54599983 22 -0.19272088 -0.31088023 -0.36130639 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