256 Lattice="16.33910540379779 0.0 0.0 0.0 16.33910540379779 0.0 0.0 0.0 16.33910540379779" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1125.9104666456299 stress="-3.9659486245186475 0.4468536223076036 0.8332200455605818 0.4468536223076036 -3.3293701644644287 0.018970842434768542 0.8332200455605818 0.018970842434768542 -3.5401586234715925" pbc="F F F" Ti 0.02427660 -0.03029318 -0.01863281 0.41118323 0.41842287 0.46441850 Ti 2.02254554 2.01849370 0.03230105 0.17338484 0.17132730 -0.27675853 Ti 2.02198364 0.03018390 2.06193759 0.31538452 -0.33366579 -0.05799085 Ti 0.03664975 2.01327351 2.03120769 -0.41914972 0.16248541 0.12861953 Ti 4.10805344 -0.00831297 -0.02338860 -0.14679991 0.19877393 0.39658447 Ti 6.11237170 2.01036082 0.02491004 0.03454041 0.11127513 -0.05310357 Ti 6.15675589 -0.00565026 2.09685251 -0.01770054 -0.08244951 -0.18069228 Ti 4.06994076 2.03154845 2.06296556 0.02905786 -0.10375759 -0.11521922 Ti 8.14549563 -0.02402993 0.00858201 0.03802726 0.20160713 0.23669069 Ti 10.17713378 2.04409930 0.03923635 0.38353619 -0.05246239 -0.19190096 Ti 10.23949000 -0.03439281 2.01708014 -0.24024812 -0.07236026 0.07348402 Ti 8.19773843 2.06377169 2.01930654 -0.25457214 -0.35984926 0.22494099 Ti 12.24819790 0.00778723 0.03431604 -0.05374815 0.28875022 0.12398124 Ti 14.32909158 2.00786202 0.02212764 -0.32504596 0.34090717 0.18968127 Ti 14.30454487 0.04866640 2.01478868 -0.16650197 -0.07574145 0.22661889 Ti 12.29185282 2.03242685 2.07338026 -0.21949928 0.21782435 -0.33619573 Ti -0.00854356 4.10466013 0.01356424 0.21710973 -0.23267696 0.09847078 Ti 2.01323518 6.13843034 -0.02434589 0.17492740 -0.17759807 -0.04472181 Ti 2.00859339 4.06131919 2.07519599 0.13669234 0.04950807 -0.28309263 Ti 0.00163497 6.09813132 1.99657771 -0.18755435 0.18710909 0.24314064 Ti 4.11681610 4.09268772 0.00868099 -0.28641296 -0.06244565 -0.14330754 Ti 6.14246760 6.16539009 -0.02725146 -0.13473338 -0.34591718 -0.13913699 Ti 6.08946829 4.11113818 2.06722335 0.37564161 -0.13093294 -0.17712706 Ti 4.07424791 6.08964710 2.06144733 -0.18399487 0.24039931 -0.13582458 Ti 8.16732832 4.05508053 0.03522455 -0.25188263 0.13636390 -0.32665422 Ti 10.22008262 6.07911393 -0.01983714 -0.01670751 0.10727202 -0.26525823 Ti 10.19860566 4.11032454 2.04772572 0.31810409 -0.11743959 -0.08317041 Ti 8.19817815 6.12789632 2.00558331 -0.07791836 -0.07598932 0.18484844 Ti 12.27875109 4.09623959 0.01206799 -0.08547755 -0.31248761 0.00832420 Ti 14.27191239 6.10368454 -0.04063926 -0.17813255 0.08842858 0.36410974 Ti 14.28548548 4.11301992 2.07487782 0.16013001 -0.07949728 -0.20961124 Ti 12.21508095 6.14746703 2.06261419 0.31477120 -0.24986968 -0.08183766 Ti -0.02110621 8.14905559 -0.01323504 0.17556332 0.10571418 0.19374322 Ti 2.04725937 10.18193359 0.00904000 -0.15380046 0.20146861 -0.15540977 Ti 2.02321192 8.16430505 2.03845654 -0.08582275 -0.20388350 0.14556381 Ti -0.01541351 10.17385244 2.07023132 -0.08669922 0.24403849 -0.13374221 Ti 4.04749881 8.13531536 0.02011870 0.14272632 0.07808339 -0.27830502 Ti 6.16428759 10.24316563 -0.03070484 -0.14240386 -0.11056775 -0.07145216 Ti 6.10853227 8.13722314 2.00446701 0.05519390 0.18714576 0.05888219 Ti 4.06667207 10.17702981 2.03036835 0.00336866 0.30099517 -0.08760436 Ti 8.13411509 8.13195021 -0.00049299 0.34191575 0.24393898 -0.23234419 Ti 10.18945405 10.23517088 0.00648328 0.17316136 -0.11085291 -0.15729445 Ti 10.24441729 8.15034338 2.00813736 -0.31908277 0.08366186 0.22565435 Ti 8.17739639 10.23969586 2.01073900 -0.11701934 -0.20029268 0.04874424 Ti 12.24447557 8.13925649 0.03943200 0.13884849 0.15319659 -0.32565703 Ti 14.29050377 10.23934383 0.02632045 -0.23836097 -0.17790552 0.32978332 Ti 14.30730972 8.11269831 2.08229046 0.14130518 0.14181528 -0.18286029 Ti 12.24687543 10.17196086 2.08279259 0.23860809 0.28498571 -0.16633168 Ti -0.00745489 12.26789772 0.02999248 0.28055442 -0.28792460 0.22229827 Ti 2.05290739 14.26809644 0.03621030 0.10188545 -0.14658191 0.10224294 Ti 2.04284825 12.26007337 2.01880580 -0.06433262 -0.26799370 0.06330306 Ti -0.00201834 14.26885542 2.03576388 0.17327214 -0.11593527 0.13395179 Ti 4.11876306 12.25208718 -0.01841465 -0.15789632 -0.06480866 -0.05885255 Ti 6.11357175 14.29904158 -0.00095946 0.03022059 -0.21316146 0.23059182 Ti 6.10170195 12.24641060 2.05657496 0.07111152 0.07305271 -0.10997118 Ti 4.06859010 14.26883983 2.06244004 0.08443883 0.22299773 -0.16983581 Ti 8.20834718 12.28492188 -0.01322150 -0.19853390 -0.01065256 -0.21054307 Ti 10.19364329 14.33007566 0.01428472 0.27894809 -0.25960601 0.14590902 Ti 10.20191763 12.26432848 2.07175628 0.34008704 0.09095484 -0.32301629 Ti 8.17722248 14.26326020 2.00510417 -0.13643706 0.20282760 0.33692937 Ti 12.27836685 12.24271255 -0.02570318 -0.26869016 0.12560169 0.14541137 Ti 14.26152660 14.31126065 0.02647761 -0.31359694 -0.32830960 0.26160344 Ti 14.31100350 12.30521161 2.02905583 -0.05040795 -0.10586080 0.18524257 Ti 12.26596358 14.33348299 2.02636295 -0.05484813 -0.07397817 0.07352244 Ti 0.00739604 -0.04031935 4.04403369 0.23611262 0.30984532 0.16916392 Ti 2.03092557 2.04856841 4.12543950 -0.01582778 -0.21005198 -0.19822022 Ti 2.06804521 -0.02978432 6.14587466 -0.15881432 -0.04899868 -0.07670143 Ti 0.00710790 2.07230993 6.08814980 -0.23797416 -0.47258359 0.06151077 Ti 4.11603429 0.01994915 4.12209374 -0.16675524 -0.13835547 -0.07515235 Ti 6.16358044 2.03054791 4.08657760 -0.06938321 0.04322014 0.00904186 Ti 6.16282829 -0.02606366 6.14999753 -0.18323838 -0.00301288 -0.14869899 Ti 4.04865439 2.07125135 6.13213614 0.37188755 -0.19329008 0.00669571 Ti 8.20226027 -0.01638918 4.12146966 -0.03483295 -0.15186013 -0.34482579 Ti 10.20043068 2.04653695 4.03617741 0.13024477 -0.12977004 -0.06352006 Ti 10.18226665 0.00372425 6.09635178 0.28642360 -0.09566514 0.16292439 Ti 8.18703211 2.06546567 6.08758538 -0.19203534 -0.11947270 0.21861244 Ti 12.21901811 0.01343374 4.05286765 0.20777828 -0.18892465 0.15252719 Ti 14.32525809 2.00526591 4.05782841 0.17458087 0.13937911 0.02870579 Ti 14.33195362 0.00967719 6.09258242 -0.43397062 0.22438957 0.09606091 Ti 12.26678462 2.07421192 6.07999783 0.13057708 -0.44363345 0.04685982 Ti 0.01867901 4.12205862 4.12039890 -0.37104895 -0.23705316 -0.31074053 Ti 2.01845945 6.09148697 4.09676390 0.23748333 0.24052801 -0.19514508 Ti 2.03980767 4.04518949 6.12784859 0.08746275 0.36078918 0.12713503 Ti 0.00546062 6.14034359 6.09030691 -0.24723274 -0.08089114 0.40027346 Ti 4.09672498 4.08754178 4.06558284 -0.05197161 -0.08011878 0.26496956 Ti 6.16049219 6.15409658 4.09305264 -0.12538051 -0.12831574 -0.10119031 Ti 6.16384925 4.07597216 6.11463441 -0.23546969 -0.11924494 -0.00206045 Ti 4.04986269 6.12855896 6.12634268 0.18726587 -0.14354958 -0.14045133 Ti 8.20164234 4.08884990 4.06502696 -0.15862379 0.14813768 -0.01814110 Ti 10.25739986 6.08979596 4.13458791 -0.19003160 0.30996835 -0.09714346 Ti 10.24305249 4.04901701 6.09278953 -0.14155314 0.26586243 0.16394377 Ti 8.15740810 6.13575654 6.15542197 0.43659797 -0.10533648 -0.06331584 Ti 12.26200845 4.08494519 4.06376655 0.07549338 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10.19542175 0.21555859 -0.31985059 0.27003892 Ti 4.09203613 2.04980804 10.17243134 -0.18194281 -0.08758463 0.29378675 Ti 8.13212732 -0.01947505 8.13313036 0.26355167 -0.04884963 0.18682202 Ti 10.19129400 2.07931496 8.10851403 -0.00069527 -0.32761494 0.24384144 Ti 10.18424011 -0.00109771 10.24050394 0.16796643 -0.12545018 -0.10172068 Ti 8.20948145 2.01991148 10.20695090 -0.17088922 0.08906222 -0.00463771 Ti 12.21257464 0.02643716 8.18617140 0.00476636 -0.05618205 -0.26444330 Ti 14.30825692 2.01719084 8.18085593 0.08638899 0.20594724 -0.19078693 Ti 14.26046083 0.02091218 10.17855862 -0.08949421 0.09407081 0.14484109 Ti 12.25267753 2.06121928 10.19347034 -0.13669837 -0.19125414 0.08708926 Ti 0.00331316 4.05438669 8.12931762 -0.11047976 0.21737156 0.11049261 Ti 2.07567770 6.15866370 8.16120150 -0.23356991 -0.25310578 0.18381279 Ti 2.06065228 4.06338674 10.17975914 -0.16025609 0.16639179 -0.06108468 Ti 0.00257513 6.11787943 10.20735681 0.00045751 -0.07295513 -0.02383066 Ti 4.10530143 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0.27092751 0.15453288 Ti 12.30078657 -0.00965430 12.25287019 -0.18068049 -0.11761225 0.09298777 Ti 14.27956794 2.03901472 12.24368037 0.21648871 -0.08215725 0.09233946 Ti 14.30417182 0.00457448 14.31921041 -0.48449359 0.51340305 -0.47538994 Ti 12.24948374 2.04954165 14.27712805 0.19336443 -0.25301074 0.24933013 Ti -0.02660427 4.04807994 12.23657202 -0.07602415 0.27805633 0.18977106 Ti 2.06280084 6.08909504 12.22535388 -0.33489041 0.09926266 0.09558648 Ti 2.04641264 4.07743937 14.26243012 0.03215627 0.00296762 0.19059447 Ti 0.03997640 6.11395376 14.33342937 0.12397047 -0.08394538 -0.36416503 Ti 4.06390327 4.06902708 12.24221896 0.15604038 -0.08852329 0.13946429 Ti 6.10358183 6.09126036 12.25771973 0.05716619 0.10167571 -0.03926939 Ti 6.08989368 4.05559656 14.31015688 0.13516915 -0.04176293 0.08947960 Ti 4.10214552 6.15261632 14.29526744 -0.15671330 -0.19753260 0.19493354 Ti 8.13194808 4.09736292 12.21746576 0.20219646 -0.21782499 0.19461943 Ti 10.21536111 6.11074310 12.28369982 0.07597556 -0.03666903 -0.01991298 Ti 10.26011864 4.06528947 14.29425094 -0.23166636 0.09826315 0.14431048 Ti 8.14394320 6.11671238 14.27631852 0.10458907 -0.17312897 0.23917098 Ti 12.24778969 4.04555030 12.24836513 0.09529489 0.28821936 0.06385186 Ti 14.31087844 6.11065563 12.28524836 0.00803045 0.16832318 -0.10254410 Ti 14.29841599 4.09417250 14.27909513 -0.21692193 -0.17295466 -0.13194084 Ti 12.28408656 6.14408508 14.31308711 -0.10211479 0.01109902 0.05491209 Ti -0.02696902 8.15293931 12.24485441 0.01933198 -0.01707469 0.03970859 Ti 2.02215768 10.24544188 12.23125234 -0.09546721 -0.16155491 0.25258246 Ti 2.02400841 8.13947166 14.27100025 0.03984892 0.20672159 0.04935410 Ti -0.03048866 10.18359182 14.32529898 0.40236273 0.17959828 -0.36179987 Ti 4.05535335 8.16226360 12.24226786 0.12080533 0.19217367 0.09180883 Ti 6.16273461 10.18926197 12.25593032 -0.39424712 0.16264837 0.13716485 Ti 6.13288112 8.13897548 14.25651288 -0.17175105 0.17406428 0.24036536 Ti 4.04388250 10.24666345 14.31501683 0.15359353 -0.21313611 0.07355537 Ti 8.14402861 8.13591418 12.24113618 0.21688355 0.03712222 0.11371333 Ti 10.21925507 10.25564996 12.23424398 -0.15713709 -0.20203661 0.00787009 Ti 10.17390028 8.18662555 14.28241498 0.12964296 -0.05682526 0.09283971 Ti 8.14121712 10.18677849 14.30280321 0.12722243 0.19263018 0.13415940 Ti 12.23895025 8.15122475 12.21866864 0.12227827 -0.00798936 0.11746857 Ti 14.27722426 10.22473749 12.28343086 0.18136500 -0.05740193 -0.20430570 Ti 14.27916685 8.21559634 14.32464357 -0.17855738 -0.10067398 -0.27770253 Ti 12.23120764 10.20070086 14.26066412 -0.06427534 0.11080698 0.21772494 Ti 0.03979293 12.25782392 12.24425216 -0.27464758 -0.08290910 0.15459312 Ti 2.04277039 14.27381564 12.28716614 0.07938631 0.30411745 -0.07659311 Ti 2.06426066 12.29063495 14.31946667 -0.40394951 -0.26202320 0.20314077 Ti -0.01321878 14.26149810 14.26037168 0.38773190 -0.37001482 -0.34503024 Ti 4.04863233 12.22592962 12.27694834 0.25083260 0.16886766 -0.19437935 Ti 6.14991167 14.27531530 12.29029059 -0.13982092 0.14994261 -0.21445447 Ti 6.13602884 12.28128770 14.28504088 -0.14059819 -0.21196713 0.23569035 Ti 4.05013131 14.27195594 14.32934113 0.14114263 -0.06872801 -0.23263318 Ti 8.15823635 12.26143016 12.27062164 0.06211731 -0.02918702 -0.18017183 Ti 10.23650792 14.28894564 12.22539684 -0.09507820 0.27832976 0.18398602 Ti 10.20790871 12.28227699 14.27200670 0.08858613 -0.16099280 0.20944469 Ti 8.19691432 14.26510916 14.28009547 0.05561378 0.00926954 -0.08658713 Ti 12.23438938 12.26789085 12.23618192 0.37121408 0.06797121 0.13880210 Ti 14.31564779 14.33630834 12.20416052 -0.30903797 -0.44969453 0.01641904 Ti 14.29212907 12.24088727 14.26478130 -0.29744064 0.05497897 -0.28815551 Ti 12.28790691 14.29033106 14.28766482 -0.09555457 -0.26078852 -0.33884647