500 Lattice="20.574934882940937 0.0 0.0 0.0 20.574934882940937 0.0 0.0 0.0 20.574934882940937" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2242.32218893704 stress="7.879424479376169 1.6497496404253376 -0.290904416751971 1.6497496404253376 7.688283614661774 0.7880356846143108 -0.290904416751971 0.7880356846143108 8.93907976092678" pbc="F F F" Ti -0.02817505 -0.02931721 0.00539891 0.65109714 0.69511849 0.64082716 Ti 2.07724535 2.07766308 0.02297078 -0.21578435 -0.16411895 -0.16326688 Ti 2.04646687 0.03900165 2.07230331 -0.10201240 -0.19863987 -0.12491491 Ti 0.02604794 2.08859195 2.08980567 -0.13599718 -0.21823681 -0.21460281 Ti 4.13553983 -0.01398641 0.01675826 -0.16281962 0.17893428 0.22226631 Ti 6.15894202 2.02874325 -0.00807166 0.12880759 0.12528324 0.11891916 Ti 6.16956144 -0.01925140 2.08353927 0.07606703 -0.02094754 -0.31084427 Ti 4.08827876 2.02580017 2.01793736 0.40641816 0.17256083 0.21405429 Ti 8.25785050 0.03896378 -0.00432627 -0.09044521 0.26081284 0.25202046 Ti 10.33651982 2.09221865 -0.03477148 -0.18549391 -0.12996391 0.10017628 Ti 10.26044816 0.01490571 2.03666090 0.22527602 -0.00224785 0.07557351 Ti 8.26557680 2.04743369 2.07717213 -0.13652127 0.00976583 -0.32750227 Ti 12.37860807 0.03619152 -0.00824526 -0.05989309 0.14015754 0.27391090 Ti 14.38046093 2.08703759 -0.03948015 0.17707252 0.00438874 0.12074825 Ti 14.42836318 -0.01431452 2.04893262 -0.03655833 -0.08480155 -0.02163068 Ti 12.37708986 2.02222818 2.05707508 -0.25659613 0.22849753 -0.09155357 Ti 16.43791005 0.01441431 0.01014513 0.03073930 0.38373196 0.34977043 Ti 18.49966193 2.05628641 -0.03326523 -0.33356846 -0.09422396 0.39200887 Ti 18.55071919 0.02676826 2.07364867 -0.43256355 0.34503538 -0.12544412 Ti 16.42404756 2.03781884 2.07775794 0.21246306 -0.17854963 -0.36112540 Ti 0.01337156 4.12292364 0.00074723 0.24470953 -0.08901872 0.32608835 Ti 2.02640512 6.18076645 -0.00002104 0.19547672 -0.07110990 -0.00269913 Ti 2.06553923 4.11636679 2.05929066 -0.08705224 0.27728958 -0.19230212 Ti 0.01002623 6.19812924 2.05579842 -0.16708424 -0.20513376 -0.16008934 Ti 4.14192942 4.15347430 0.03591943 -0.13231402 -0.15799625 -0.19777050 Ti 6.18161500 6.16787785 -0.01543414 0.09088675 0.21890247 -0.17463284 Ti 6.19952173 4.14954191 2.04988259 -0.18173744 -0.46833649 0.00415864 Ti 4.14133919 6.18087761 2.05009938 -0.17733199 0.11424812 0.01120257 Ti 8.23545445 4.10959688 -0.01601574 -0.08027279 -0.22495488 -0.15399439 Ti 10.26755748 6.14622567 -0.03163389 0.05006954 0.20121627 -0.07674275 Ti 10.25262468 4.15391214 2.05348878 0.22869671 -0.36800885 -0.07653323 Ti 8.19591848 6.14689061 2.01770268 0.17050038 0.36295287 0.14752066 Ti 12.31532413 4.12089454 0.02526245 0.24787493 0.00684000 -0.07911423 Ti 14.41986451 6.18881645 -0.01831474 -0.03404951 0.01272993 -0.02958462 Ti 14.42314571 4.14782101 2.08737227 -0.31728134 -0.21387246 -0.25079498 Ti 12.32588820 6.15806439 2.02920705 0.10955467 0.16215024 -0.03364102 Ti 16.48018716 4.07759149 0.03588684 -0.09207026 0.11270502 -0.19665767 Ti 18.53016731 6.20614491 -0.02148752 -0.33912761 -0.25169962 0.26289116 Ti 18.51589705 4.06148201 2.01639213 0.07969903 0.14599369 0.16557802 Ti 16.43602431 6.14132344 2.03928314 0.32763993 0.23077607 -0.06465890 Ti 0.02543371 8.21687602 -0.00510144 0.20251121 0.13233602 0.28712301 Ti 2.03716361 10.31719475 0.05046850 0.14973753 -0.28164355 -0.14682192 Ti 2.05681261 8.21372805 2.08502132 -0.05812967 0.19439085 -0.22725163 Ti -0.01296425 10.32522656 2.02876335 -0.07755277 -0.35824284 0.12082349 Ti 4.11521575 8.22085805 -0.02335722 -0.09177021 0.05494519 0.07574073 Ti 6.14698604 10.28249993 0.02885966 -0.03257553 -0.12939298 -0.18596671 Ti 6.20890253 8.23349166 2.06857710 -0.06032795 -0.14225358 -0.18471877 Ti 4.11425588 10.27344415 2.09365495 -0.11403287 0.12315173 -0.24871152 Ti 8.29096928 8.25838053 -0.01446788 -0.23213264 -0.09381355 -0.13605864 Ti 10.31372989 10.32480770 0.02830649 -0.01793938 -0.06501571 -0.14121675 Ti 10.26429931 8.23399540 2.05287778 0.15227007 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0.13653168 -0.08340905 -0.20626745 Ti 6.19974217 14.38439551 0.00339885 -0.17591392 0.13062953 -0.03962101 Ti 6.13732331 12.31413172 2.02881021 0.04117474 0.11825232 0.25160124 Ti 4.07642257 14.38615994 2.03012977 0.28415611 0.25825115 0.19736727 Ti 8.19585034 12.29110388 -0.00686513 0.21166456 0.16919289 -0.08199687 Ti 10.30489002 14.45567296 0.02613927 -0.24042949 -0.14887598 -0.11303214 Ti 10.25345444 12.29404673 2.08046130 0.11111903 0.19313997 -0.31332904 Ti 8.26271171 14.37525440 2.03709345 -0.24206794 0.16812136 -0.20549706 Ti 12.30549000 12.37507432 0.02692253 0.13067757 -0.17689493 -0.12237074 Ti 14.43361737 14.33669574 0.03975827 -0.05123386 0.26484721 -0.17725985 Ti 14.38942777 12.33395391 2.06706264 0.19233783 -0.15376583 0.01376307 Ti 12.34056275 14.36682800 2.04332152 -0.12942963 0.17640088 0.25739122 Ti 16.43187915 12.30023966 0.00382261 0.23429982 0.06291100 0.08353952 Ti 18.51187555 14.37890606 0.03322075 -0.26179644 -0.00104126 0.08485502 Ti 18.50970137 12.35909009 2.05924106 0.08375325 -0.20623904 -0.19961764 Ti 16.50059683 14.38809931 2.08528668 -0.25854651 0.07874103 -0.24206817 Ti -0.01271134 16.44833057 -0.01164953 0.47088291 0.02992878 0.56819552 Ti 2.09805310 18.51721333 0.02496348 -0.14727496 -0.37114201 0.45079214 Ti 2.05271505 16.42892942 2.08860930 -0.12531686 0.38660747 -0.36241202 Ti 0.00282867 18.54583142 2.09099581 0.44844907 -0.49416019 -0.09090017 Ti 4.05854859 16.46264406 -0.03520800 0.18702640 -0.10408002 0.07355306 Ti 6.19100475 18.44851371 0.00228295 -0.15321718 0.04775164 0.08201788 Ti 6.16081400 16.49654769 2.01679861 -0.16264282 -0.44276907 0.14291962 Ti 4.15093924 18.50456052 2.06942581 -0.12440122 0.02182371 -0.09621481 Ti 8.20031973 16.48562881 -0.04091415 0.26381301 -0.16188955 0.09320365 Ti 10.26944301 18.52381240 -0.00762764 0.00964235 -0.32916591 0.39357133 Ti 10.26012506 16.48772636 2.08730766 0.12208158 -0.02881445 -0.17075883 Ti 8.20126018 18.50445269 2.08265402 0.12170808 0.15787120 -0.31319365 Ti 12.34315914 16.45964020 0.02514921 0.11685989 0.09474319 -0.08365635 Ti 14.46439538 18.52076240 -0.01070061 -0.10025941 -0.35649671 0.37694276 Ti 14.36821414 16.42598077 2.06683930 0.38736861 0.21075547 -0.21736832 Ti 12.36760467 18.50008996 2.05963091 -0.13233237 0.13132480 -0.20104650 Ti 16.44893352 16.42737570 0.01689345 0.11841140 0.10769008 0.11090971 Ti 18.55565457 18.48749674 0.03604455 -0.49992213 -0.50971205 0.39941265 Ti 18.54581428 16.42177770 2.04154189 -0.11509318 0.27868109 0.19586563 Ti 16.50925242 18.55292217 2.03213827 -0.07956784 -0.27606688 0.08640364 Ti 0.00082231 -0.01822891 4.12930388 0.27091530 0.41498498 -0.10139680 Ti 2.08188853 2.09667483 4.07743411 -0.19072843 -0.36661312 0.25053566 Ti 2.02345862 0.01487722 6.14256473 0.20477306 -0.15420481 -0.08814225 Ti 0.00808164 2.03892582 6.20732038 -0.17620630 0.15312097 -0.31128292 Ti 4.14615011 -0.01705761 4.10103707 -0.32228979 -0.06306207 -0.06980067 Ti 6.21628207 2.02154901 4.10437412 -0.24903211 0.25174640 -0.13624405 Ti 6.14117921 -0.00584157 6.13579079 0.27935353 -0.07085393 0.17343471 Ti 4.11988636 2.03322345 6.13950965 0.03803489 0.10987997 0.11063669 Ti 8.19211559 -0.03258327 4.09964845 0.37496230 -0.03870626 0.19320509 Ti 10.30109343 2.06895642 4.14329427 -0.09678813 -0.25783130 -0.25234973 Ti 10.31372892 0.00270744 6.20540319 -0.30723157 -0.14941439 -0.12616919 Ti 8.24700453 2.07458736 6.19761588 0.04744439 -0.29503007 -0.08228671 Ti 12.34654797 -0.02044922 4.11143198 -0.16892868 -0.21635687 -0.17332488 Ti 14.34323081 2.02869865 4.08237297 0.20388933 0.13934433 0.22860469 Ti 14.36998317 0.00908016 6.14758603 0.12316853 -0.06894499 0.14823843 Ti 12.30393224 2.02183802 6.15363142 0.27867724 0.18601248 0.26646938 Ti 16.48945339 -0.00318060 4.10741552 -0.13312199 -0.15622792 0.03911499 Ti 18.49907305 2.02505438 4.10267844 0.14841577 0.19577446 0.10079928 Ti 18.54125121 0.00902700 6.18780749 -0.28808975 0.28654594 -0.05489675 Ti 16.43252435 2.04725652 6.14021131 0.19114605 0.06420408 0.06820147 Ti 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14.37731452 4.15499393 6.20244948 0.22757007 -0.27404935 -0.19634056 Ti 12.35912937 6.14661999 6.20829389 -0.08141285 0.26997993 -0.32675128 Ti 16.44186513 4.05593899 4.08722603 0.17861783 0.22288644 0.26841887 Ti 18.48471981 6.17179444 4.10816694 0.09928398 -0.13220259 -0.21762604 Ti 18.53596458 4.13302520 6.20037858 0.05833199 -0.40254470 -0.26874513 Ti 16.49690724 6.15938367 6.18092025 -0.39437336 0.14853483 -0.08443101 Ti -0.04104171 8.19722267 4.07890840 -0.05954795 0.44166113 0.08028296 Ti 2.06365280 10.32553512 4.11766110 -0.13575838 -0.20623566 0.01408881 Ti 2.03347944 8.22148861 6.17098796 0.13686263 0.12612029 -0.15717900 Ti -0.00355788 10.28773879 6.18474704 -0.12816326 -0.00748193 -0.17740367 Ti 4.14728445 8.24903891 4.08591338 -0.18665629 -0.23502833 0.26495426 Ti 6.15649244 10.26146693 4.15139972 0.19987414 0.25262292 -0.27020807 Ti 6.17321046 8.26252736 6.20646258 -0.07780401 -0.28567395 -0.24967610 Ti 4.13099454 10.30688509 6.16071226 -0.33295841 -0.22581023 0.10853479 Ti 8.26147153 8.26990501 4.14080856 -0.19226498 -0.24132065 -0.13837311 Ti 10.32845893 10.31540556 4.11297117 -0.23523900 -0.16153715 0.16592084 Ti 10.26628940 8.20835263 6.14425915 0.12063384 0.09342036 0.18988120 Ti 8.20815414 10.28574714 6.18483887 0.24688567 0.22192240 -0.21919218 Ti 12.33823698 8.22306937 4.09620002 0.02628618 -0.08871240 0.12075529 Ti 14.40233963 10.29942976 4.13367659 0.16313024 -0.00481508 0.00610957 Ti 14.37587613 8.26021618 6.20242583 0.33593180 -0.14658223 -0.11016211 Ti 12.36864136 10.25214184 6.19949439 -0.21465560 0.13805657 -0.18563967 Ti 16.44674073 8.20517565 4.10570064 0.18062182 0.14905241 0.05469513 Ti 18.53019956 10.31718549 4.07759953 0.12412141 -0.32555937 0.06237234 Ti 18.51064274 8.20887114 6.19879653 0.02056451 0.22033671 -0.11287347 Ti 16.49063249 10.32849847 6.15907772 -0.09470608 -0.34232162 0.07990639 Ti 0.02441898 12.30625016 4.07815079 -0.17146251 0.16593772 0.19583851 Ti 2.02772245 14.42711601 4.09777701 0.19118030 -0.19298683 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0.04941190 0.15493755 0.12064492 Ti 14.44282937 14.36302848 8.26463798 -0.24223626 0.34939581 -0.24694847 Ti 14.44019637 12.37932269 10.28427909 -0.19553844 -0.16943273 0.20704304 Ti 12.31394047 14.37715208 10.26367679 0.10713015 0.09987503 0.06034549 Ti 16.42532462 12.36718028 8.19084939 0.38724514 -0.27321664 0.27945173 Ti 18.50081508 14.36636359 8.22108790 0.08246642 0.10495561 0.00009620 Ti 18.54012480 12.30587346 10.25083706 -0.12873453 0.22864446 0.15173389 Ti 16.46469678 14.38886935 10.32964832 0.34454727 0.16270801 -0.08551545 Ti -0.02251815 16.49669307 8.24340214 0.03551871 -0.34504962 0.08050589 Ti 2.02017762 18.51636757 8.20583570 0.23548869 0.08914285 0.19173839 Ti 2.09539771 16.46392573 10.27236896 -0.30227635 0.24628815 0.12649446 Ti -0.00691091 18.49894520 10.29989261 0.35204059 -0.28795249 0.10328259 Ti 4.10960246 16.46949835 8.23513681 -0.07290706 -0.01178268 -0.15843768 Ti 6.13885572 18.53072161 8.19470269 0.17481188 0.12859043 0.16127205 Ti 6.15940637 16.49660897 10.24993100 0.14814397 -0.15446906 0.14484013 Ti 4.12215717 18.51620624 10.28001055 -0.15798631 0.13627512 0.15237661 Ti 8.21252635 16.51663124 8.21142774 0.02450583 -0.36234134 0.09524676 Ti 10.33465339 18.51997922 8.27903757 -0.12329665 0.15321853 -0.32540910 Ti 10.29569420 16.49617749 10.26463163 0.07603284 -0.33314257 0.06254760 Ti 8.27053669 18.50678528 10.27139658 -0.28915086 0.25762423 0.03725911 Ti 12.34614319 16.44496924 8.19639002 0.20013541 0.08287892 0.16192380 Ti 14.37669675 18.54907402 8.22668635 0.17365754 -0.08083220 -0.09186673 Ti 14.36956554 16.42301463 10.29646434 0.16876229 0.14859019 -0.17187928 Ti 12.38079728 18.50208268 10.24213608 -0.01047088 0.18357742 0.17328548 Ti 16.43863648 16.48656732 8.26982363 0.10585368 -0.12882856 -0.18018217 Ti 18.54530967 18.47879804 8.21612179 -0.35274250 -0.14222635 0.08245151 Ti 18.55490136 16.41938774 10.24830089 -0.06446432 0.10205325 0.18429768 Ti 16.46986408 18.47172202 10.31860713 0.00281891 0.13123854 -0.16626057 Ti 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14.35080820 0.14665034 -0.14085795 0.22126936 Ti 0.03560666 18.49372166 14.41566925 0.05612804 -0.13931859 0.08825680 Ti 4.14121079 16.44297316 12.38192944 -0.06023726 0.21828894 -0.26540315 Ti 6.20086964 18.48690272 12.36039836 -0.18428905 0.14892740 -0.14624788 Ti 6.15024923 16.45295772 14.41603854 0.19313975 -0.10804699 -0.02918911 Ti 4.07842653 18.50741219 14.40342714 0.19627367 0.17894297 -0.02087730 Ti 8.26861022 16.49391073 12.36111281 -0.18108726 -0.20225433 -0.18260297 Ti 10.31283261 18.50601520 12.30709646 0.14004265 0.20291447 0.20751171 Ti 10.28431747 16.46742788 14.39902053 0.15059450 0.15664995 0.14618695 Ti 8.20248707 18.52516064 14.37001069 0.18597213 0.07717336 0.36577931 Ti 12.37302907 16.47295905 12.31340139 -0.27937103 -0.03624450 0.17661556 Ti 14.38888405 18.49819641 12.32663346 0.07371821 0.13807398 0.14882344 Ti 14.38730274 16.42231077 14.42189278 0.27327965 0.45784018 -0.01344141 Ti 12.37713288 18.55461822 14.43791500 -0.14730591 -0.00285719 -0.19439649 Ti 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16.49000790 -0.04026112 0.10566889 -0.06364277 Ti 18.51736100 4.12812878 18.55493591 -0.33876652 -0.09450554 -0.36133954 Ti 16.41610990 6.17783299 18.49667730 0.24239290 -0.08928150 0.21392937 Ti 0.00265938 8.20817066 16.44439086 -0.02267000 0.10748788 0.21388859 Ti 2.05588081 10.31933614 16.49771663 -0.15276573 -0.24714389 -0.13165875 Ti 2.03801107 8.20752297 18.54315684 0.00711507 0.17219096 -0.09267404 Ti 0.00207914 10.31356949 18.48440548 0.20807768 -0.14011784 -0.16374595 Ti 4.15183767 8.21944130 16.44661475 -0.25534799 0.09265662 0.21724675 Ti 6.16470074 10.27904297 16.44837074 -0.11788086 0.19009058 0.13326728 Ti 6.20515939 8.23925938 18.47759492 -0.35535347 0.03321453 0.33250252 Ti 4.08062982 10.32778081 18.51699109 0.18995327 -0.19909322 0.01074824 Ti 8.18925300 8.26054591 16.49982500 0.40841783 -0.23815845 -0.32956930 Ti 10.29452701 10.25966567 16.43249201 -0.25291114 0.17149742 0.32559110 Ti 10.31133767 8.19574430 18.54234527 -0.20734507 0.14165198 0.03192326 Ti 8.25908952 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16.50460706 16.43206951 -0.15508796 -0.19432326 0.33767674 Ti 14.39230867 18.55511078 16.49062485 0.23122059 -0.06103857 0.09344546 Ti 14.38297775 16.42990428 18.52155955 0.05736048 0.23082230 -0.00373852 Ti 12.31926890 18.52541956 18.54412809 0.11154431 -0.30338022 -0.26023053 Ti 16.43572455 16.45020621 16.50057721 0.23723972 0.20312789 -0.02620896 Ti 18.49634270 18.53155825 16.49913393 -0.35611660 -0.47339173 -0.22158462 Ti 18.54815537 16.45317376 18.53140385 -0.49023182 -0.12604383 -0.40002825 Ti 16.50045158 18.53964594 18.55234681 -0.23895705 -0.50162220 -0.37681044