256 Lattice="16.2787942017174 0.0 0.0 0.0 16.2787942017174 0.0 0.0 0.0 16.2787942017174" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1097.2634792292142 stress="-0.005226616689358458 -0.0001754463718398142 -9.947598698706358e-05 -0.0001754463718398142 -0.005184589728544056 4.3858536751413186e-05 -9.947598698706358e-05 4.3858536751413186e-05 -0.005232028610292178" pbc="F F F" Ti 0.01788498 0.02546301 0.02701233 0.88561519 0.88078275 0.85962078 Ti 2.04921179 2.04323678 0.00669676 -0.29718770 -0.27329385 -0.27151041 Ti 2.04545120 0.03385943 2.05798307 -0.22120523 -0.39831366 -0.46253685 Ti 0.02650232 2.02755296 2.04410312 -0.37698561 -0.12368599 -0.24985288 Ti 4.07824080 0.03453714 0.03609788 -0.13087845 0.26010251 0.35213214 Ti 6.06829297 2.03133423 0.01760439 0.36760832 -0.07654096 -0.47541219 Ti 6.13382563 0.01530786 2.03516545 -0.24315232 -0.48793871 -0.11924886 Ti 4.09868934 2.07760977 1.99381831 -0.30283562 -0.37018492 0.31551161 Ti 8.16856862 0.03417267 0.02738624 -0.19273882 0.24771886 0.23980986 Ti 10.16225582 1.98554228 0.00797095 0.15958940 0.18036211 -0.19249059 Ti 10.13424965 0.02349158 2.04800017 0.35183896 -0.39722316 -0.16609861 Ti 8.10042233 2.00595727 2.06344622 0.28929192 0.45786953 -0.31488944 Ti 12.20405718 0.00074818 0.02842355 -0.01263078 0.54941899 0.57009698 Ti 14.20894745 2.01743572 0.02600293 -0.55408340 -0.06959214 0.36887520 Ti 14.21268554 0.02741053 2.00350142 -0.51267466 0.51145820 0.09651267 Ti 12.20078456 2.02811096 2.05197726 0.05840676 -0.10805552 -0.24740011 Ti 0.01829404 4.03621562 0.00076673 0.42947953 0.07289020 0.45223092 Ti 2.06304288 6.14153693 0.02520826 -0.26370479 -0.09253378 -0.37012341 Ti 1.99983805 4.10868686 2.00172593 0.22660416 -0.27917930 0.07654987 Ti 0.01089184 6.09761762 2.07246795 -0.39987388 0.25279365 -0.44346637 Ti 4.06780358 4.04802398 0.01394269 -0.18673902 0.26439586 -0.49859874 Ti 6.07678294 6.08964227 0.00835680 0.16249169 0.15354364 -0.37318131 Ti 6.07365871 4.10616912 2.02325240 0.46661355 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0.54271098 0.21668391 Ti 0.03515784 14.23310103 2.04583416 0.50284421 -0.52162717 -0.10141878 Ti 4.06339634 12.21464508 0.00654820 -0.05790291 0.12529545 -0.18576356 Ti 6.09885895 14.22830640 0.04047242 -0.03808532 -0.24848396 0.21878971 Ti 6.12101668 12.24873521 2.02405932 -0.26371576 -0.35045638 -0.08883831 Ti 4.04587663 14.27815420 1.99463923 -0.18555873 0.09036398 0.05142222 Ti 8.16790842 12.26759445 0.02952236 -0.11233921 -0.16711770 -0.41840977 Ti 10.23278955 14.23917387 0.03127045 -0.01260640 -0.39856991 0.45948583 Ti 10.14486937 12.18985447 2.03835644 0.21611445 0.23104843 -0.14372855 Ti 8.11468030 14.25215851 2.04590261 0.23075174 0.49440231 -0.14760375 Ti 12.21861254 12.19470581 0.03970490 0.15947610 0.25118164 -0.34062618 Ti 14.23380935 14.26136935 0.00510119 -0.97522422 -0.92250705 0.94873745 Ti 14.23130183 12.24521193 2.02373323 0.31024031 0.08950229 -0.03539892 Ti 12.19303176 14.23605497 2.06798971 0.45301229 0.31341250 -0.35194968 Ti 0.03786384 0.01569902 4.08520063 0.31943677 0.30220579 -0.10166961 Ti 2.04308574 2.02185078 4.03821990 -0.11731525 0.34592721 0.15446069 Ti 2.01873456 0.00687526 6.13390237 -0.07151252 -0.37681962 -0.08616457 Ti 0.02274913 2.02033893 6.08374282 -0.26623153 0.10961318 0.04726746 Ti 4.03926985 0.02332680 4.04154937 0.22685918 -0.37676714 0.05973790 Ti 6.12673326 2.03067236 4.06040995 -0.25949483 0.10172151 0.15432844 Ti 6.14489889 0.03897361 6.11851874 -0.20814957 -0.50231328 -0.26840773 Ti 4.03641316 2.00641879 6.08943974 0.19147585 0.36666533 -0.00072786 Ti 8.16896941 0.02037573 4.04223982 -0.12920120 -0.48302847 0.25236787 Ti 10.19368262 2.05213149 4.11115131 -0.12644169 0.02445477 -0.31024723 Ti 10.15426038 0.01503895 6.09003096 0.17126349 -0.35187296 0.19178071 Ti 8.13370456 2.03476766 6.13610112 0.13868860 0.19407625 -0.13479016 Ti 12.18266234 0.00135284 4.05147609 0.24083444 -0.33906750 0.02690497 Ti 14.22184188 2.00810145 4.10709313 0.38915537 0.00175529 -0.25623472 Ti 14.23027227 0.02316852 6.09950861 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0.10669273 0.29585608 -0.13143535 Ti 14.28326408 6.07812998 4.06895240 0.07814840 0.03974764 -0.14788511 Ti 14.28319558 4.10023314 6.12856975 0.14442383 -0.20811274 -0.14065140 Ti 12.18760902 6.12727281 6.10824108 0.36792716 -0.18696868 -0.23435793 Ti 0.03676898 8.16437437 4.10168899 -0.41851009 -0.10652299 -0.08558814 Ti 2.05831750 10.14657617 4.09295753 -0.09257962 0.36883385 -0.05792200 Ti 2.07120227 8.09788597 6.13636012 -0.25406447 0.38967347 -0.39723892 Ti 0.01983197 10.23940540 6.07286862 -0.31021818 -0.22186375 0.24863842 Ti 4.05969154 8.16913540 4.09027911 0.47629134 -0.14758190 0.09668615 Ti 6.11853466 10.21382126 4.07563092 -0.17242408 -0.09598896 -0.10161232 Ti 6.15075621 8.17354111 6.12787872 -0.22327929 -0.20496161 -0.13833223 Ti 4.05796847 10.16943165 6.14435954 0.12781026 0.15260876 -0.09513100 Ti 8.10914975 8.15766165 4.04255817 0.31305631 -0.10633505 0.24250681 Ti 10.20100725 10.21145288 4.07945119 -0.30868808 -0.32078164 -0.10405807 Ti 10.17419265 8.12699280 6.09549158 -0.22339371 0.25181231 -0.21956446 Ti 8.12777854 10.21142554 6.14058485 0.40388656 -0.26866886 -0.40065376 Ti 12.20430249 8.10988323 4.02936763 0.07072720 0.15539009 0.23615413 Ti 14.22679679 10.14967167 4.10939257 0.37045071 0.32551642 -0.29695139 Ti 14.21664322 8.16175988 6.11985757 0.42550658 -0.29320392 -0.19249104 Ti 12.20017694 10.16094586 6.07181847 -0.06285877 0.10703869 0.19767935 Ti 0.02618332 12.22304774 4.06760201 -0.37681156 0.01424267 -0.28025958 Ti 2.01574733 14.24960036 4.08060207 0.09804553 0.30503059 -0.30543603 Ti 2.05342145 12.23418372 6.07121610 -0.17578858 -0.19848712 0.25860724 Ti 0.01599507 14.21269669 6.07590097 0.31079090 -0.34922814 0.15539069 Ti 4.09076519 12.22799262 4.06969802 -0.24343406 -0.11440672 -0.24442573 Ti 6.04619244 14.27219467 4.03763299 0.08246239 0.33869821 0.15278810 Ti 6.13508480 12.18667330 6.10699472 -0.38001216 0.33294528 0.13567898 Ti 4.03873026 14.21910412 6.13243199 0.22663273 0.48203531 -0.11473147 Ti 8.12275091 12.26844632 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0.00065610 10.17483777 -0.30541636 -0.22694035 0.19331898 Ti 4.04131125 2.07534230 10.17155938 0.36400900 -0.23735971 0.10042473 Ti 8.12939677 0.00974058 8.13971017 0.27088782 -0.51441712 0.12671025 Ti 10.14616008 2.05815952 8.16980659 0.26551101 -0.37290399 -0.37098421 Ti 10.21106252 0.02441743 10.20742094 -0.26363789 -0.55866927 -0.18487262 Ti 8.14670644 2.04423805 10.15639438 -0.09878754 -0.12324809 0.38003257 Ti 12.24379894 0.03592548 8.11032502 -0.01610492 -0.36062186 0.04757978 Ti 14.25236574 2.06484448 8.14371129 0.27903351 -0.25254202 -0.09568307 Ti 14.27794898 0.01389130 10.17449584 -0.50022003 0.48355801 -0.02096145 Ti 12.19794972 1.99094822 10.14925934 0.43211427 0.30398594 0.11215931 Ti 0.03759805 4.06963700 8.17130052 -0.53181620 -0.09599359 -0.24033996 Ti 2.02182230 6.14208307 8.11292702 0.31093279 -0.43377652 0.48645729 Ti 2.07533320 4.07446992 10.14915234 -0.09534161 0.23165742 0.24291568 Ti 0.00365727 6.06195617 10.17004148 -0.25881099 0.14646251 0.19748152 Ti 4.06780575 4.05470058 8.11001678 0.09211601 0.09782389 -0.02152416 Ti 6.12685937 6.13301590 8.17395930 -0.10723863 -0.13053030 -0.39937097 Ti 6.10108558 4.08129481 10.14309695 -0.10122792 -0.18951673 0.13644703 Ti 4.09044967 6.09751190 10.16672351 -0.42143125 0.07528578 0.07893122 Ti 8.16312421 4.06808336 8.16933150 -0.15459400 0.17809371 -0.31862410 Ti 10.19304531 6.13500084 8.12444356 -0.21764431 -0.35480251 0.12776191 Ti 10.18472568 4.04502095 10.14465870 0.00530797 0.20653820 0.29382851 Ti 8.11290119 6.07902286 10.17676250 0.34781557 0.18224738 0.22902751 Ti 12.17862051 4.05930032 8.10719779 0.37545382 0.09567053 0.32620110 Ti 14.23746951 6.10407606 8.10289323 0.20922219 -0.02313039 0.32242240 Ti 14.25812405 4.03004635 10.17609017 0.06671095 0.17648247 0.10781184 Ti 12.18202454 6.11171650 10.19252247 0.45257574 -0.26819231 -0.32071522 Ti 0.03807542 8.11449791 8.14058023 -0.76152101 0.21067699 -0.08450763 Ti 2.00658874 10.13542736 8.14704751 0.18496148 0.47854176 -0.25959928 Ti 2.00556274 8.16548931 10.15665321 0.44382317 -0.49897903 0.31794066 Ti 0.02887235 10.14614915 10.15907783 -0.62370262 0.32946091 0.17472115 Ti 4.03125064 8.11361924 8.13042181 0.45849992 0.23750314 0.25584714 Ti 6.13210938 10.16429170 8.15854364 -0.26673203 0.04215560 0.28242999 Ti 6.06735453 8.10363010 10.21532864 0.20675132 0.44314333 -0.19539702 Ti 4.04439570 10.20570645 10.15369371 0.15240281 -0.15256472 0.04619149 Ti 8.15591936 8.11160119 8.15552400 -0.06909842 0.17776614 0.02251204 Ti 10.17917840 10.14670755 8.14124560 -0.00549689 0.16908105 -0.12585407 Ti 10.20101391 8.09794684 10.14305403 -0.29411250 0.28576481 0.37642875 Ti 8.15279272 10.17736350 10.21314614 -0.12183701 -0.05506159 -0.28043455 Ti 12.17657990 8.13027841 8.11763849 0.30985504 0.12084297 0.15311138 Ti 14.22963707 10.14954242 8.10404015 0.26955829 0.28425680 0.22485826 Ti 14.22906490 8.14784497 10.14403392 0.24321382 -0.04752809 0.03388363 Ti 12.17801929 10.20506205 10.14892937 0.21004446 -0.17853735 0.10025886 Ti 0.02331604 12.20451951 8.16870473 -0.40703563 0.18677012 -0.23136305 Ti 2.02333554 14.23403095 8.13236427 -0.14802133 0.46922063 -0.03798190 Ti 1.99727998 12.24856403 10.15553837 0.22774703 -0.10978481 0.22609346 Ti 0.03879329 14.27806776 10.14351552 0.28885279 -0.41016917 0.18598897 Ti 4.04240537 12.21898613 8.14334807 0.10728093 -0.21614030 -0.01845583 Ti 6.08352507 14.23766563 8.17125009 0.31048439 0.23880050 -0.34572518 Ti 6.07813489 12.24456106 10.21151639 0.24265095 -0.44443892 -0.34034899 Ti 4.10630763 14.26424749 10.13801718 -0.39263144 0.36536576 0.29727868 Ti 8.16345110 12.17370970 8.12980779 -0.15611318 0.36562867 0.25875826 Ti 10.16531098 14.22665892 8.13262528 -0.01494950 0.42228416 0.13417904 Ti 10.18771347 12.19773253 10.15140418 -0.13128451 0.21007556 0.13936803 Ti 8.12030915 14.23900506 10.19354254 0.16377712 0.28657602 -0.18176224 Ti 12.20951473 12.22896572 8.10380830 0.12884056 -0.17211377 0.22704650 Ti 14.27765307 14.21343437 8.17267145 -0.36817088 -0.29061587 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-0.33318380 0.18397120 Ti 12.22893153 0.01025720 12.17587169 0.25440232 -0.42978779 0.45977113 Ti 14.22615665 1.99447812 12.22578126 0.22998423 0.00869247 0.13767878 Ti 14.21949679 0.00284429 14.25843590 -0.90438327 0.88231396 -0.90230807 Ti 12.19798683 2.03156859 14.22695989 0.28733626 -0.18793301 0.26616639 Ti 0.01671644 4.04080491 12.21043306 -0.41031259 0.13501287 0.17277437 Ti 2.03475567 6.08216920 12.23781793 -0.07805155 0.19232451 -0.23922481 Ti 2.02997991 4.03439279 14.22010807 -0.15132277 0.14185118 0.46480155 Ti 0.01173124 6.14349437 14.20971703 0.45352943 -0.07744948 -0.40526402 Ti 4.11153684 4.10612234 12.21852118 -0.32724558 -0.24025240 -0.16622521 Ti 6.09474311 6.11993410 12.22235842 0.24469453 -0.01904504 0.14786502 Ti 6.06699645 4.06567781 14.27944955 0.23485532 0.00727916 0.34242960 Ti 4.06115079 6.08068898 14.21695385 -0.09420055 0.21861465 0.55879806 Ti 8.09332436 4.03793439 12.18373596 0.30385334 0.14436092 0.25097593 Ti 10.18962507 6.06598802 12.19800155 -0.31362292 0.02946720 0.22104207 Ti 10.14700641 4.01159602 14.28201328 0.24570014 0.27959108 0.06021302 Ti 8.16225805 6.10439937 14.26190180 -0.20707302 -0.11633218 0.10162484 Ti 12.18911007 4.08603874 12.17902225 0.35896286 -0.34826561 0.25383814 Ti 14.23599932 6.14601296 12.21634447 0.39558831 -0.15762769 -0.00737946 Ti 14.23958678 4.05911607 14.22514238 -0.45316585 -0.12073370 -0.54803170 Ti 12.27502267 6.08474924 14.21245624 -0.23032551 0.05974685 0.38548986 Ti 0.03411795 8.14954346 12.17550201 -0.36612351 -0.11188276 0.32391888 Ti 2.04278460 10.18123811 12.18343667 -0.21338165 0.22428181 0.22103752 Ti 2.05459740 8.16587501 14.25457032 -0.19257340 -0.10432803 0.23604276 Ti 0.02548192 10.13667258 14.23478146 0.48863132 0.18831732 -0.50845081 Ti 4.05324458 8.16942771 12.21991258 -0.13523824 -0.16730132 -0.15051274 Ti 6.12823957 10.15823760 12.21614099 -0.28779958 0.15155481 -0.16210650 Ti 6.06559024 8.17180855 14.25067918 0.13007484 -0.16281690 0.32247630 Ti 4.04004880 10.22530842 14.21243626 0.09575001 -0.07718896 0.48690433 Ti 8.16042324 8.15964149 12.21689735 -0.11065767 -0.40207243 -0.05350778 Ti 10.14090011 10.16292549 12.22118451 0.38207055 0.12124642 -0.02707880 Ti 10.15608571 8.11585553 14.23305843 0.31953888 0.11190766 0.32990768 Ti 8.10553462 10.20778990 14.23463190 0.12779053 -0.12078240 0.50587992 Ti 12.19409556 8.12644303 12.17683085 0.13204130 0.29131759 0.42893309 Ti 14.21337363 10.16964947 12.17054307 0.20862923 0.17308390 0.35251224 Ti 14.25104446 8.15252582 14.26542828 -0.59036134 0.09956088 -0.61870798 Ti 12.22388620 10.20701487 14.24549313 0.15038132 -0.13715222 0.08142776 Ti 0.02141587 12.21734135 12.21322859 -0.20832886 0.18618767 0.22992167 Ti 2.04730111 14.23844665 12.17909022 -0.15573070 0.22411189 0.33511994 Ti 2.05901269 12.21928950 14.25133043 -0.42235445 0.25531915 0.10089351 Ti 0.03249800 14.24870208 14.24453473 0.95781866 -0.92136261 -0.94135677 Ti 4.08427600 12.20299569 12.19274000 -0.22374171 0.32341237 0.12775480 Ti 6.12993604 14.23737953 12.19276546 -0.21021392 0.47912061 0.48510502 Ti 6.09350865 12.21759952 14.24286551 -0.05139212 0.29299837 0.29873508 Ti 4.04630160 14.24684184 14.24432876 0.01751222 -0.50948480 -0.58110538 Ti 8.11061874 12.21693374 12.21612663 0.34225820 0.18336605 0.16025548 Ti 10.16039044 14.24917100 12.17737276 0.08341702 0.13406338 0.35408159 Ti 10.16984701 12.17085835 14.26663349 0.06144221 0.49632138 0.08276798 Ti 8.13007083 14.25089186 14.27285457 0.09325234 -0.61431765 -0.62441911 Ti 12.16843436 12.22097293 12.17402977 0.45671922 0.21352024 0.57207345 Ti 14.25891036 14.23459374 12.16930401 -0.70218917 -0.70977686 0.30319445 Ti 14.23488674 12.21291576 14.28153782 -0.81677239 0.10351040 -0.95970364 Ti 12.20665224 14.25014062 14.21255205 0.07366615 -0.81491108 -0.75674961