500 Lattice="20.57493457835446 0.0 0.0 0.0 20.57493457835446 0.0 0.0 0.0 20.57493457835446" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2242.5055781786486 pbc="F F F" Ti 0.02850241 -0.00166931 -0.03201132 22 0.60274700 0.57357974 0.62351118 Ti 2.07660933 2.08385584 0.00982220 22 -0.22254881 -0.15985736 0.04723572 Ti 2.08515082 0.00964589 2.08263892 22 -0.28432057 -0.06925179 -0.26880546 Ti -0.01695060 2.05800583 2.05331484 22 0.13439154 -0.16635483 -0.14196047 Ti 4.11906185 0.00841087 0.02097755 22 -0.10122463 0.20902836 0.14374280 Ti 6.15616384 2.06829559 -0.04064788 22 0.09101008 -0.09241174 0.17201076 Ti 6.16996833 -0.01379266 2.03690280 22 0.05088155 0.04157640 0.05658539 Ti 4.09191999 2.00974516 2.07710240 22 0.25022610 0.33322392 -0.05516927 Ti 8.26468852 -0.01421992 0.00372632 22 -0.09589700 0.32619722 0.26981414 Ti 10.26985682 2.07950068 -0.02101059 22 0.16554910 -0.11660921 -0.05053582 Ti 10.34600789 0.03333482 2.02837402 22 -0.13439534 -0.06202128 0.09000300 Ti 8.26484367 2.02345341 2.06434663 22 -0.30801928 0.07652581 -0.09391375 Ti 12.37101753 -0.01145059 -0.00509284 22 -0.10037408 0.38925868 0.19977208 Ti 14.42569796 2.03791594 0.02185882 22 -0.11733541 0.19340963 -0.01896140 Ti 14.37525767 -0.02126035 2.03304965 22 0.21826170 0.03108007 0.09771469 Ti 12.37151499 2.09818978 2.06770683 22 -0.08117616 -0.04923075 -0.20365157 Ti 16.46872564 0.01724003 0.03908093 22 -0.08874966 0.21129130 0.23906091 Ti 18.48359664 2.07196714 0.01817106 22 -0.29708696 0.16644160 0.38482172 Ti 18.51354856 -0.01196217 2.04480240 22 -0.31686546 0.39805335 0.12398075 Ti 16.45402287 2.07847281 2.05889962 22 0.10047199 -0.22109882 -0.04303096 Ti 0.00828116 4.15130122 0.01403080 22 0.28307973 -0.12356891 0.28432635 Ti 2.09109140 6.14253905 -0.00133185 22 -0.21759602 0.22633390 0.09576935 Ti 2.05221411 4.10924833 2.09701727 22 -0.02336213 -0.11627581 -0.22351142 Ti -0.02130353 6.16734227 2.08093466 22 0.13088763 0.14278023 -0.05108614 Ti 4.07820950 4.12876482 0.00378501 22 0.17458463 -0.11084234 0.01163943 Ti 6.18614805 6.16118079 0.03781760 22 -0.25351235 0.26012588 -0.33852311 Ti 6.15951582 4.14581066 2.01841991 22 -0.11856260 -0.52992043 0.22814961 Ti 4.08255784 6.18751633 2.09101304 22 0.11398304 -0.13258471 -0.37694972 Ti 8.21161302 4.12795947 0.03163825 22 0.09995289 -0.16208646 -0.26722806 Ti 10.29017884 6.20245465 0.03304318 22 -0.12664640 -0.06909903 -0.22018206 Ti 10.26131069 4.10596407 2.03250954 22 0.08186241 -0.10440694 0.11871489 Ti 8.22072991 6.16994908 2.01742859 22 0.23048213 0.34641827 0.20783392 Ti 12.31860923 4.13921267 0.01450798 22 0.24130910 -0.12957030 -0.11804161 Ti 14.43564106 6.19544071 -0.04023892 22 -0.21106874 -0.07986593 0.14275470 Ti 14.44226986 4.15148738 2.09815030 22 -0.10383837 -0.06552553 -0.41678880 Ti 12.32654770 6.13706886 2.05742254 22 0.26783357 0.27818308 -0.24746979 Ti 16.44110746 4.14847513 -0.01558247 22 0.17405503 -0.13160789 -0.00375108 Ti 18.53950862 6.19655977 0.00139795 22 -0.21813471 -0.18364117 0.13571616 Ti 18.51231733 4.15322874 2.08686309 22 0.11789050 -0.20567068 -0.32613486 Ti 16.50102072 6.16077050 2.03871210 22 -0.21569149 0.08800547 0.11814152 Ti 0.01246118 8.19708835 -0.01796408 22 0.38721626 0.00391079 0.40660832 Ti 2.06683307 10.27384317 0.01719421 22 -0.12176620 0.07699217 -0.05522858 Ti 2.08193178 8.24028096 2.08860649 22 -0.34782129 -0.16419878 -0.24314819 Ti 0.03068627 10.25600373 2.08803333 22 -0.17233742 0.03560930 -0.23055201 Ti 4.08163217 8.26123516 -0.03473787 22 0.11597052 -0.16922678 0.02248464 Ti 6.19059889 10.28630499 0.00727637 22 -0.06151932 0.12629577 -0.08101568 Ti 6.14440512 8.24725262 2.01975041 22 0.11443884 0.00011813 0.10012393 Ti 4.13765469 10.31990553 2.05701590 22 -0.03642652 -0.11447592 0.10304027 Ti 8.25368304 8.27060206 0.00554377 22 -0.11786395 -0.21895187 -0.06000738 Ti 10.27471607 10.24979560 -0.03538725 22 0.16124749 0.31508865 0.07703251 Ti 10.32733163 8.26865382 2.07227489 22 -0.22154775 -0.23076829 -0.18379033 Ti 8.24600743 10.26487922 2.09623916 22 -0.15623378 0.13090879 -0.28723677 Ti 12.32812698 8.20126060 -0.03405399 22 0.24548061 0.19560227 0.14822616 Ti 14.41268925 10.31085526 -0.03750592 22 -0.06862900 -0.12684419 0.06775066 Ti 14.42758494 8.25978577 2.07583770 22 -0.25055706 -0.08715549 -0.41878738 Ti 12.33584097 10.33892558 2.08220571 22 0.01459823 -0.19981953 -0.36619408 Ti 16.45952279 8.18998929 -0.01466272 22 0.03494534 0.34478536 -0.02326923 Ti 18.53118193 10.29958560 0.01934985 22 -0.36769215 -0.17146919 0.23613710 Ti 18.47734337 8.20079664 2.02039259 22 0.15105401 0.32159080 0.16771870 Ti 16.43882141 10.30948839 2.09589350 22 0.27903678 -0.32477667 -0.45001186 Ti 0.02613244 12.36389227 0.03431421 22 0.26389911 -0.04720896 0.31068284 Ti 2.03452748 14.44780746 0.03490960 22 0.18421688 -0.15752602 -0.02732214 Ti 2.04986840 12.31067673 2.09202611 22 -0.02137964 0.31892790 -0.05179022 Ti -0.00781443 14.42709237 2.08923844 22 -0.05836777 -0.14531582 -0.11676269 Ti 4.11791496 12.35559170 0.03518610 22 -0.16289765 0.03864859 -0.14478109 Ti 6.14605046 14.39501274 -0.02326878 22 0.17841169 0.10622133 0.01777154 Ti 6.14851436 12.38445341 2.09042643 22 0.16897833 -0.18947828 -0.21038579 Ti 4.13484388 14.43339056 2.07897376 22 -0.27510221 -0.17488375 -0.21350370 Ti 8.22268267 12.32877393 0.03860797 22 0.03460458 -0.00096162 -0.06463996 Ti 10.31880356 14.38017422 -0.00097299 22 -0.21299442 0.18173521 -0.11628677 Ti 10.25338442 12.35989504 2.09690451 22 0.06381023 -0.32084463 -0.36797295 Ti 8.24244658 14.36857682 2.07052473 22 -0.21036523 0.31401474 -0.32528317 Ti 12.30398569 12.38076388 -0.00831536 22 0.19009438 -0.27949631 -0.05294739 Ti 14.42238427 14.42857449 -0.03997825 22 -0.13321351 -0.20150812 0.03593813 Ti 14.40340427 12.30546179 2.05972894 22 -0.14244192 0.40156565 -0.25403494 Ti 12.31184131 14.36546259 2.04504008 22 0.28797935 0.28234071 0.10547500 Ti 16.48723826 12.33251507 0.03378531 22 -0.09688379 0.07685987 -0.20828842 Ti 18.55696558 14.39741313 0.02297464 22 -0.32750073 -0.01874737 0.14786449 Ti 18.49983953 12.30546599 2.04069836 22 0.16494928 0.28112767 0.21205741 Ti 16.46280400 14.40511719 2.01594956 22 0.08069359 -0.12265672 0.20778476 Ti 0.03048615 16.48914785 -0.03076120 22 0.22010734 -0.06832583 0.38605603 Ti 2.09077233 18.50234025 -0.00657956 22 -0.06340933 -0.29802300 0.29719569 Ti 2.01948944 16.42750506 2.06026558 22 0.06285967 0.32308794 -0.09041182 Ti 0.02085203 18.51019273 2.06039097 22 0.36195682 -0.31619113 -0.00068257 Ti 4.13228324 16.48233336 0.00478515 22 -0.17687568 -0.17623045 -0.10159963 Ti 6.15047200 18.49055924 -0.01110056 22 0.13472730 -0.25196443 0.34652085 Ti 6.14669058 16.46248495 2.06817448 22 0.32318258 0.08614533 -0.17687121 Ti 4.05126012 18.49117197 2.04609035 22 0.16313174 0.09894647 0.05418048 Ti 8.26687063 16.42398675 -0.03377170 22 -0.18029039 0.05934312 0.10683511 Ti 10.28579358 18.54454150 0.02437092 22 0.04181084 -0.25824168 0.07823285 Ti 10.28523088 16.48142633 2.03620723 22 0.21648744 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2.07811061 4.07363571 22 0.01669969 -0.24887424 0.00930538 Ti 18.52458282 0.03250154 6.19930420 22 -0.31155311 0.24710594 -0.21125019 Ti 16.50021457 2.08438127 6.12765109 22 -0.18834144 -0.47035696 0.15062846 Ti 0.01768616 4.07830722 4.09654282 22 -0.12150375 0.05772628 0.10999615 Ti 2.07754702 6.12946147 4.12517270 22 -0.27353938 0.21225950 0.12042900 Ti 2.07457392 4.08520530 6.21120301 22 -0.18354371 0.21367736 -0.14174748 Ti 0.01177326 6.18869713 6.13655772 22 -0.04287595 -0.11460493 0.14670643 Ti 4.12880256 4.10748996 4.15293657 22 -0.01559375 -0.13356289 -0.12523492 Ti 6.20953442 6.14843083 4.05569312 22 -0.25946966 0.24613899 0.21022454 Ti 6.18601631 4.09215293 6.13753835 22 -0.13004065 0.13276593 0.29612885 Ti 4.12667995 6.21482488 6.20022525 22 0.19273720 -0.22796500 -0.19205400 Ti 8.25559446 4.15123552 4.12430409 22 -0.10495795 -0.36711181 -0.25995375 Ti 10.30564193 6.14836479 4.06395753 22 -0.18641723 0.23786750 0.13683463 Ti 10.28047375 4.13583246 6.15609234 22 -0.02721857 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8.20783421 4.08892504 22 0.11898107 0.22217970 0.21815057 Ti 6.21303138 10.32312001 4.14363764 22 -0.35410435 -0.07235603 -0.12276308 Ti 6.17399482 8.27988090 6.17143399 22 -0.20750327 -0.32175495 -0.15435884 Ti 4.09646539 10.26396938 6.19942216 22 -0.00679549 0.16429871 -0.15678000 Ti 8.19542582 8.25777873 4.15089594 22 0.15665257 -0.37384670 -0.33463210 Ti 10.24978037 10.26284268 4.10145217 22 0.20243465 0.19163876 0.28827530 Ti 10.31817485 8.24430588 6.16497297 22 -0.07076888 -0.16110840 0.01426541 Ti 8.23500493 10.25095167 6.19423731 22 0.25277349 0.39091517 -0.03575126 Ti 12.31675199 8.22329349 4.09825380 22 0.18027921 0.12388699 0.10951518 Ti 14.40489654 10.30673105 4.12284522 22 -0.16471499 -0.15620967 0.15318586 Ti 14.38604142 8.21596381 6.16229173 22 0.03849884 0.06099911 0.19492448 Ti 12.39050382 10.31385017 6.20243759 22 -0.21707225 -0.39596583 -0.22518149 Ti 16.45262577 8.25591508 4.10325307 22 0.18045869 -0.18131743 0.08244266 Ti 18.53012059 10.32160861 4.11996881 22 0.07566180 -0.15613620 -0.01861712 Ti 18.48288073 8.17230131 6.12283301 22 0.12446899 0.21770846 0.11343199 Ti 16.49152033 10.30020412 6.19165766 22 -0.08988056 -0.12878160 -0.09048898 Ti -0.02833652 12.33667503 4.12106644 22 -0.02536550 0.11217609 -0.13992063 Ti 2.08278031 14.42053717 4.14632063 22 -0.26764493 -0.14121413 -0.29116977 Ti 2.04775746 12.37975788 6.15730493 22 0.04221760 -0.20094406 0.17150540 Ti 0.03386616 14.38599312 6.16796705 22 -0.19087507 0.15950971 0.03154720 Ti 4.11836785 12.34974343 4.15439573 22 -0.11795901 -0.13778669 -0.10910223 Ti 6.17898996 14.38035537 4.11800820 22 0.07031136 0.31125571 -0.02877054 Ti 6.17052483 12.37540892 6.18420345 22 -0.06245482 -0.22586826 0.00316195 Ti 4.14620033 14.41195926 6.14507106 22 -0.10579508 -0.06116154 0.19482799 Ti 8.21494565 12.34029268 4.12428006 22 0.03094057 -0.11930583 0.12170180 Ti 10.24633668 14.37047367 4.09106507 22 0.21438906 0.32322940 0.10432441 Ti 10.31618739 12.34945792 6.14842939 22 -0.31551807 -0.07988761 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12.37203253 22 0.12521884 -0.00426429 -0.28774158 Ti 18.48104824 10.27026409 12.33293208 22 0.18975214 -0.13527621 0.03367940 Ti 18.54071222 8.20735878 14.36602972 22 0.07421724 0.12975105 0.09132522 Ti 16.43491562 10.27061895 14.38087885 22 0.35013858 -0.08189259 0.20555674 Ti -0.01622822 12.30580384 12.38095986 22 -0.01890767 0.27394483 -0.11312719 Ti 2.08218425 14.43189030 12.32145228 22 -0.35331746 -0.30600353 0.11216692 Ti 2.05436408 12.33818301 14.40627914 22 -0.18784174 0.21495604 0.12966086 Ti -0.03348306 14.38818441 14.44484566 22 0.12176573 0.05753773 -0.18170909 Ti 4.11385643 12.33778392 12.35660319 22 -0.10571051 0.12432932 -0.19617010 Ti 6.14336639 14.37818506 12.34470889 22 0.16045743 0.22727035 0.06656580 Ti 6.17112421 12.37324502 14.43423422 22 0.14830970 -0.17786635 -0.25877511 Ti 4.11172122 14.36440390 14.39051768 22 -0.10202592 0.37221205 0.13503940 Ti 8.19572071 12.32176378 12.32613636 22 0.24458030 0.26252606 0.28991239 Ti 10.32566266 14.41373361 12.31975782 22 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0.10684444 Ti 16.49150004 16.43702028 12.38063177 22 -0.07831670 0.29383980 -0.12165884 Ti 18.50863294 18.52574942 12.35808654 22 -0.19100599 -0.26563734 -0.06644418 Ti 18.48444707 16.48904822 14.42647345 22 0.15487597 -0.24087734 0.08881737 Ti 16.48928059 18.51968630 14.39077604 22 -0.24767087 0.06414833 0.15119826 Ti 0.01078125 0.00949829 16.43651835 22 0.21101024 0.33042298 0.15849719 Ti 2.06550451 2.06925254 16.45573391 22 -0.05077124 -0.15377987 0.28134534 Ti 2.05416573 -0.04083290 18.48263756 22 0.04510085 0.49255338 -0.33296463 Ti 0.00982366 2.08057324 18.54365960 22 0.47835267 -0.00803742 -0.49243969 Ti 4.12575786 0.02223412 16.47434839 22 -0.08488094 -0.11764551 -0.10003417 Ti 6.13522444 2.02956594 16.48764178 22 0.07322959 0.18515466 -0.20180527 Ti 6.18866973 0.04074392 18.52060220 22 -0.05779870 -0.06694759 -0.12000502 Ti 4.14803511 2.02571530 18.53513910 22 -0.38684380 0.12087957 0.09148029 Ti 8.20826375 0.02044277 16.46370691 22 0.12728056 -0.13967883 -0.18626042 Ti 10.32029356 2.01780622 16.42137628 22 -0.21287904 0.14069303 0.37096839 Ti 10.30568089 -0.00544905 18.52275384 22 -0.06198601 0.28348862 -0.29358796 Ti 8.20730771 2.02101290 18.47941117 22 0.37743808 0.32047090 0.06377506 Ti 12.33102447 -0.00303989 16.46360535 22 0.11591233 -0.09766520 0.14768992 Ti 14.36814834 2.08324977 16.43867949 22 0.22338509 -0.27642631 0.53562316 Ti 14.36800114 -0.02804624 18.55315796 22 0.17179101 0.56533031 -0.54405958 Ti 12.31031797 2.08640052 18.55565453 22 0.21887928 -0.15592378 -0.08053960 Ti 16.49721025 -0.00062930 16.42508868 22 -0.32736932 0.09058551 0.20726816 Ti 18.51882357 2.03861022 16.49605249 22 0.05034326 0.18028775 -0.19995239 Ti 18.49577617 -0.04024561 18.49512230 22 -0.48749872 0.50959470 -0.44393344 Ti 16.48383324 2.09645321 18.48675077 22 -0.12274142 -0.40531652 0.10779904 Ti 0.03721952 4.09285145 16.42402583 22 -0.07640121 0.09413632 0.18124992 Ti 2.09687962 6.19674973 16.45416149 22 -0.38410896 -0.17645076 0.16371315 Ti 2.08985067 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22 -0.07947299 0.18613565 0.14272114 Ti 16.45074927 4.09282745 16.48736314 22 0.24555341 0.12999258 -0.15142419 Ti 18.52033400 6.19962331 16.43353515 22 0.03145993 -0.20788174 0.16733870 Ti 18.54986385 4.14433278 18.54291805 22 -0.28856714 -0.04379797 -0.40099043 Ti 16.46085312 6.13278481 18.52082706 22 0.08852502 0.30386940 -0.02715194 Ti 0.00152575 8.19794744 16.43215064 22 -0.04664672 0.15758410 0.19540081 Ti 2.06457332 10.24657081 16.44189399 22 -0.13046695 0.30037992 0.23754637 Ti 2.09057385 8.19633945 18.51993255 22 -0.26949683 0.14667108 0.11778475 Ti 0.03155964 10.28886976 18.48149722 22 0.23469330 -0.18040654 -0.27428129 Ti 4.08454561 8.23936342 16.47796493 22 0.42329538 0.02880205 -0.18181849 Ti 6.20368108 10.31532997 16.42306923 22 -0.25229818 -0.23630807 0.22908536 Ti 6.13247829 8.20566684 18.49949281 22 0.14551633 0.10465676 0.07124894 Ti 4.14335132 10.27659861 18.51107891 22 -0.12960763 0.15627638 0.01632183 Ti 8.20828153 8.19121820 16.48209450 22 0.21560083 0.27291845 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14.47058262 18.54556749 22 0.08165769 -0.23463233 -0.03319694 Ti 16.45174830 12.32929070 16.42882451 22 0.19404650 0.07791777 0.21527536 Ti 18.55501924 14.39291220 16.49930361 22 -0.16579367 0.10179209 -0.32728963 Ti 18.51500379 12.36625570 18.48329555 22 -0.37378695 -0.15179701 -0.18281946 Ti 16.43307809 14.39284435 18.49469577 22 0.17373494 0.09648230 0.13982245 Ti -0.02246718 16.43739794 16.45385900 22 0.19772414 0.19798947 0.18122141 Ti 2.05610702 18.50280745 16.45639722 22 -0.09945666 -0.11079081 0.14679831 Ti 2.09254855 16.47319987 18.54212921 22 -0.35250646 0.16200885 -0.09216943 Ti -0.03105253 18.51711110 18.54077050 22 0.62800584 -0.62553005 -0.63428960 Ti 4.14976548 16.46378531 16.49438369 22 -0.28987855 0.08309338 -0.33431587 Ti 6.19465468 18.49336697 16.44470292 22 -0.16497758 0.23125860 0.19150055 Ti 6.14449520 16.43259711 18.50367254 22 0.17313972 0.22002743 0.12885451 Ti 4.10477967 18.54724521 18.50017424 22 0.06746282 -0.26886345 -0.25995939 Ti 8.23223411 16.49656181 16.46189935 22 -0.10830547 -0.29435774 0.21245262 Ti 10.25497045 18.48111702 16.49795334 22 0.25030995 0.10968589 -0.06841622 Ti 10.26904974 16.42251058 18.53957888 22 0.01182502 0.29976128 0.03826719 Ti 8.23419565 18.53025399 18.53483486 22 -0.11971588 -0.36611911 -0.23379294 Ti 12.36949449 16.49415684 16.45413791 22 -0.24047286 -0.13166012 0.07450174 Ti 14.44159553 18.48252993 16.49466813 22 0.01758338 0.19370362 -0.26075771 Ti 14.38727302 16.48692588 18.52468177 22 0.10860894 -0.08802659 0.19457529 Ti 12.36995225 18.55112111 18.51218221 22 -0.15419010 -0.34921396 -0.26389223 Ti 16.43799664 16.43609640 16.48453053 22 0.20379975 0.06242569 -0.09302795 Ti 18.51108663 18.48827152 16.47049907 22 -0.33543794 -0.29651193 0.00947219 Ti 18.47973256 16.44995354 18.55014712 22 -0.32103253 -0.06275479 -0.35988033 Ti 16.46061210 18.51421078 18.51107039 22 -0.01375243 -0.30044659 -0.24067884