256 Lattice="16.339107513427734 0.0 0.0 0.0 16.339107513427734 0.0 0.0 0.0 16.339107513427734" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1125.8639035171018 stress="-3.725633919109948 -0.7421173901712947 0.8443250561211375 -0.7421173901712947 -2.5686110561002558 0.8956901836411948 0.8443250561211375 0.8956901836411948 -1.5975442845462746" pbc="F F F" Ti -0.02828759 -0.03647030 0.00005586 0.52270952 0.53205032 0.49340396 Ti 2.07717882 1.99056489 -0.00110441 -0.31516146 0.15872271 0.10082714 Ti 2.01799116 -0.02094121 2.04486842 0.16547623 -0.00997987 -0.02482723 Ti -0.04006427 2.01807538 2.06361051 0.14719528 0.11672470 -0.19069356 Ti 4.07169953 -0.02283853 -0.03669546 0.12089985 0.24765556 0.43811882 Ti 6.14355348 2.03643998 0.03382729 -0.08158932 -0.22000419 -0.14635506 Ti 6.14681672 -0.03393122 2.07622366 -0.12466197 0.01749564 -0.21510802 Ti 4.12005831 2.06828501 2.06945378 -0.17978525 -0.48582609 -0.05695434 Ti 8.18436967 0.01804145 0.01365834 -0.12720379 0.13807551 0.13104021 Ti 10.21935277 2.02255259 0.00715672 0.16656498 0.21755199 -0.19522192 Ti 10.20177104 0.00788570 2.00615306 0.10401758 -0.22231624 0.23371818 Ti 8.19310799 2.05137956 2.04361391 -0.18567352 -0.30123470 0.06969862 Ti 12.27679929 0.03074486 -0.00971316 -0.12862707 0.22152807 0.23141564 Ti 14.32243023 2.04232836 0.00587386 -0.23666566 0.15377736 0.15964265 Ti 14.28968261 0.03537465 2.00729883 -0.09244714 0.08241157 0.14286571 Ti 12.29128955 2.02917465 2.05646574 -0.21054519 0.07898832 -0.33763796 Ti 0.03371189 4.09977931 -0.01018717 0.22592102 -0.27270338 0.33631635 Ti 2.00789049 6.12539864 0.03352767 0.20724135 0.08726473 -0.15685263 Ti 2.06804505 4.10800741 2.08210582 -0.19269709 -0.41874445 -0.25461903 Ti -0.00427131 6.11985443 2.04763205 -0.22764863 0.20413358 -0.16542347 Ti 4.10517760 4.05045847 0.01071287 -0.12249655 0.16834246 -0.07983745 Ti 6.09822855 6.11283694 -0.01634754 0.11073028 -0.15474532 -0.06325976 Ti 6.16542020 4.04830777 2.07780202 -0.15946615 0.10468903 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0.16445655 -0.27991161 Ti 6.16517230 10.19187733 0.02517930 -0.19786277 0.10021599 -0.22868174 Ti 6.10426085 8.15990931 2.00997221 0.15643351 0.06385978 0.38365803 Ti 4.04046439 10.17961851 2.05908578 0.31973518 0.28154596 -0.13745249 Ti 8.17572242 8.16302629 0.01714693 -0.13625216 -0.08181953 -0.27840106 Ti 10.19015768 10.19819174 -0.01114784 0.14854785 0.17675139 -0.12002851 Ti 10.17126056 8.20116022 2.00874990 0.24505355 -0.09566285 0.26821070 Ti 8.13696775 10.23627586 2.06840135 0.20261991 -0.10154251 0.06022659 Ti 12.25004297 8.14293688 -0.03098593 -0.10898422 0.11455011 -0.08823845 Ti 14.25597065 10.21214998 -0.02092983 -0.10006959 0.06116177 0.26099931 Ti 14.26820972 8.20269393 2.00311512 0.17332622 -0.02742097 0.15348443 Ti 12.24308127 10.23249397 2.06254534 -0.02219355 -0.23066316 -0.29216422 Ti -0.03211117 12.29094317 0.00518227 0.42908956 -0.12392890 0.28081801 Ti 2.03108158 14.33293677 0.02439718 0.19438412 -0.38876539 0.24632166 Ti 2.05050053 12.27637836 2.04172022 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4.12537575 -0.00087118 0.06099082 -0.14021384 Ti 2.03609251 2.00472721 4.10105006 0.08963809 0.22266404 -0.22291998 Ti 2.00744821 0.01830464 6.13631219 0.28059355 -0.17573401 0.08608872 Ti -0.00799930 2.07299033 6.09711225 -0.30867670 -0.05096500 0.06555264 Ti 4.12228077 -0.03381837 4.12310422 -0.35067006 -0.12564050 -0.27019423 Ti 6.13425921 2.01435108 4.12037914 0.15784152 0.20354213 -0.22659935 Ti 6.12862745 0.00068840 6.09121223 -0.04930960 -0.21810614 0.43055547 Ti 4.10909234 2.05376096 6.10589211 -0.23635228 -0.22744666 0.26734076 Ti 8.13799281 -0.00653056 4.12032962 0.36997433 -0.09188971 -0.22385066 Ti 10.24221395 2.03956587 4.04685260 -0.14983255 -0.22695158 0.19054555 Ti 10.20804819 -0.01589151 6.14603159 0.02160255 -0.03752012 -0.16232559 Ti 8.16950673 2.08026802 6.10209134 0.06676338 -0.23005669 -0.02358784 Ti 12.27832353 0.01799396 4.04533838 -0.08236209 -0.31847942 0.11871474 Ti 14.30206045 2.02562632 4.07693875 0.28649457 0.04577341 0.21340967 Ti 14.33440888 0.01357104 6.14656091 -0.35205435 0.26580653 -0.03389041 Ti 12.22878256 2.02090462 6.10610052 0.22145204 -0.02921281 0.10598177 Ti -0.03133549 4.13856478 4.04930051 -0.15324693 -0.29868886 0.12926661 Ti 2.01555926 6.09121979 4.08993824 0.20151570 0.11270083 0.07479090 Ti 2.00616334 4.04617185 6.13736799 0.16582901 0.15181515 -0.18345341 Ti 0.01793087 6.17631588 6.12556776 -0.21027456 -0.09538930 0.15414868 Ti 4.12527077 4.08235678 4.09530302 -0.26808552 -0.08725236 0.03536022 Ti 6.10669762 6.10064423 4.05535527 0.27338032 0.23796503 0.15576293 Ti 6.10596083 4.08668328 6.15062648 0.12879135 -0.01475684 -0.09778610 Ti 4.10201394 6.13303602 6.09264956 -0.15604806 -0.14053044 0.21439800 Ti 8.18767826 4.08578982 4.05778338 -0.26395746 -0.13277277 0.19414501 Ti 10.18694222 6.10638572 4.06915840 0.13119427 0.18925174 -0.12948407 Ti 10.16817189 4.10530399 6.09504563 0.23045716 -0.13066962 0.10610665 Ti 8.16943480 6.10552635 6.14113545 -0.07265510 0.22218862 -0.09184801 Ti 12.28012901 4.06383381 4.10563169 -0.12449814 0.09788567 -0.03117622 Ti 14.29377728 6.10409785 4.06417216 0.24968511 0.04426792 0.00204869 Ti 14.29982083 4.10983996 6.16632489 0.18297534 -0.21826161 -0.24431653 Ti 12.21352644 6.15015818 6.11053964 0.10940838 -0.08851863 0.07677811 Ti -0.00632722 8.14840365 4.07994149 -0.15200730 0.18407752 -0.15818393 Ti 2.05808034 10.19324350 4.02636937 -0.22910447 0.19039205 0.35237121 Ti 2.07333064 8.14425015 6.09208607 -0.16808420 0.12458645 0.12788298 Ti 0.03192435 10.18003543 6.14333832 -0.09970716 0.20319616 -0.16388582 Ti 4.09450714 8.18297457 4.11737207 0.01816834 -0.14361559 -0.26872676 Ti 6.10069273 10.24305201 4.11577007 0.00625243 -0.13155905 -0.24168004 Ti 6.09288721 8.18708614 6.12443350 0.23189626 -0.11806802 0.11409404 Ti 4.10245901 10.20858997 6.11407911 -0.31118712 0.26492921 0.07011931 Ti 8.18892062 8.19684067 4.11644404 -0.23391409 -0.14875404 -0.27475163 Ti 10.27179292 10.24117337 4.11531586 -0.24060559 -0.11495746 -0.40453104 Ti 10.20140866 8.20635436 6.09901849 0.15545761 -0.21110087 0.17321297 Ti 8.17558696 10.17716567 6.13396035 -0.14874347 0.38103098 0.07188580 Ti 12.26961389 8.15200522 4.11027048 -0.18617062 0.12120054 -0.28814197 Ti 14.28996901 10.18722345 4.06233381 0.25316920 0.11155731 0.04942670 Ti 14.26609478 8.16084597 6.09014291 0.14958960 0.00314343 0.27331876 Ti 12.23846561 10.25071397 6.09813542 0.38897882 -0.30945594 0.14750636 Ti 0.01496272 12.24832240 4.06465071 -0.21948050 -0.15767336 -0.08903770 Ti 2.02341270 14.27303747 4.05919102 0.12798301 0.41266165 0.00183884 Ti 2.05195039 12.26867787 6.08719059 0.00549013 -0.20511102 0.29860891 Ti 0.03644661 14.25756467 6.08590982 0.13611866 -0.08833666 0.18830180 Ti 4.06931301 12.31539711 4.10459281 -0.00530372 -0.26055183 -0.17350612 Ti 6.14703746 14.29098035 4.11843247 -0.03599372 0.34366481 -0.21826818 Ti 6.09722887 12.29388983 6.09041923 0.22286981 -0.15710682 0.35392189 Ti 4.09524901 14.31721901 6.16721932 -0.17103799 0.24159082 -0.11927702 Ti 8.16136430 12.23378801 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0.21802172 0.12365241 0.18410818 Ti 12.29447221 0.02845992 12.22572181 -0.27746122 -0.26215214 0.34441326 Ti 14.30767654 2.01349631 12.24006681 0.19325785 0.34666586 0.20046009 Ti 14.33721409 -0.01315704 14.26423851 -0.51692076 0.47843821 -0.43473063 Ti 12.25935096 2.04950375 14.31314219 0.07907659 -0.06293986 -0.04806658 Ti 0.03655278 4.05804147 12.23243757 -0.30579498 0.21015992 0.08485759 Ti 2.01857254 6.12914749 12.27427371 0.16728869 0.00891887 -0.12456383 Ti 2.04266878 4.07584139 14.27639725 0.12580130 -0.12978996 0.09925246 Ti 0.03637034 6.16733441 14.30367785 0.02136196 -0.24399399 -0.16095575 Ti 4.10199928 4.07045371 12.22637068 -0.20544504 -0.16570124 0.31822570 Ti 6.09095321 6.13909671 12.28841310 0.16087884 -0.01662475 -0.10445867 Ti 6.14272268 4.09890697 14.32607500 -0.08351416 -0.14191849 0.17241694 Ti 4.07760192 6.09180870 14.27714629 -0.11406798 0.11743209 0.26758666 Ti 8.17238103 4.08628267 12.25628548 0.12667243 0.00753997 0.08553278 Ti 10.20099976 6.16086602 12.21723083 0.21000572 -0.25632043 0.21388114 Ti 10.18904158 4.10428178 14.33332499 0.07968771 -0.19809110 -0.07681806 Ti 8.14845882 6.09960676 14.31007833 0.13878015 0.11814051 0.09036400 Ti 12.23750821 4.09862151 12.21841499 0.04781305 -0.11304427 0.31337378 Ti 14.28956672 6.14567200 12.28403344 0.14343769 -0.05251385 -0.25963329 Ti 14.29762791 4.09824559 14.31009920 -0.19777828 -0.21920361 -0.33268098 Ti 12.26639735 6.08497422 14.28176014 -0.20376360 0.18395248 0.10624800 Ti -0.03041038 8.17757815 12.27681953 -0.10746539 0.16073519 -0.07869777 Ti 2.05474488 10.23261675 12.21911320 -0.20219421 -0.13726934 0.16333559 Ti 2.01597658 8.17219203 14.29406722 0.17846343 0.17510891 0.12315028 Ti 0.01215168 10.25043635 14.28792413 0.21171481 -0.06968974 -0.15100065 Ti 4.08118621 8.18966885 12.28560614 -0.10107493 -0.11807414 -0.07882678 Ti 6.10485325 10.21962761 12.28652142 0.20058172 -0.19922630 0.01831939 Ti 6.16151561 8.13237487 14.33543345 -0.15405753 0.20625772 0.05619995 Ti 4.05169085 10.23637581 14.29671454 0.17934443 -0.18981222 0.28858605 Ti 8.20868221 8.14778732 12.21709878 -0.34327996 0.23591007 0.25765850 Ti 10.24942121 10.20842135 12.28139497 -0.14973462 0.08911761 -0.16294255 Ti 10.20596427 8.14066007 14.25826848 0.23843327 0.02498628 0.25277074 Ti 8.17416544 10.18457796 14.29667309 0.00328613 0.09615752 0.15158430 Ti 12.29482458 8.20904542 12.23866884 -0.25203163 -0.46298000 0.13677094 Ti 14.28318930 10.18106711 12.26310560 0.39405413 0.35796423 0.02357590 Ti 14.27052047 8.13902643 14.33063578 -0.17119713 0.09668563 -0.15733848 Ti 12.28941635 10.24378301 14.27341555 -0.14899188 -0.10902353 0.36811554 Ti -0.01793780 12.22819401 12.26998221 0.00437682 0.17120471 -0.16407326 Ti 2.01610500 14.29689240 12.25938996 0.11407126 -0.10610160 -0.09758953 Ti 2.06722670 12.23915482 14.29236601 -0.20478619 0.20704349 0.07986554 Ti -0.03184090 14.26390704 14.26069040 0.45186292 -0.44595785 -0.35725607 Ti 4.11203631 12.23386145 12.28293725 -0.24752773 0.23528909 -0.24343880 Ti 6.09571080 14.29308790 12.21581068 0.22085450 0.11426693 0.11978057 Ti 6.11484072 12.29290474 14.33004241 0.21220698 -0.19781280 0.17897949 Ti 4.11662888 14.25687838 14.26001667 -0.21108970 0.01591416 -0.10087752 Ti 8.13328067 12.21708467 12.29079671 0.07229037 0.26105754 -0.10620401 Ti 10.18286331 14.31110480 12.29071679 0.26538963 0.10466931 -0.08253920 Ti 10.22845013 12.29479796 14.30881798 -0.10762694 -0.16229476 0.15246281 Ti 8.16045433 14.33539925 14.27358174 -0.12181048 -0.25945647 -0.18386877 Ti 12.25876259 12.24737391 12.26458072 0.16257909 0.27624208 -0.03072943 Ti 14.28020915 14.33430081 12.29445874 -0.28281665 -0.41228433 -0.15134570 Ti 14.31295191 12.25408912 14.33355348 -0.19579006 -0.10155163 -0.39164349 Ti 12.29088261 14.25983405 14.32817602 -0.17258900 -0.15490179 -0.27670117