500 Lattice="20.02250999545825 0.0 0.0 0.0 20.02250999545825 0.0 0.0 0.0 20.02250999545825" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2241.4904106290865 pbc="F F F" Ti 0.01696247 0.01587254 0.00004556 22 1.21444534 1.25073649 1.22798074 Ti 2.00168786 2.00474585 -0.01913050 22 -0.53790356 -0.52089961 0.36271094 Ti 2.02227060 0.02136017 2.03864617 22 -0.58000494 0.22334508 -0.56383059 Ti -0.03447853 2.02935351 2.02318635 22 0.40023845 -0.55057553 -0.51946885 Ti 4.05451838 0.02504126 0.01767068 22 -0.03066695 0.81052259 0.86184799 Ti 6.00865280 2.00018643 -0.02235053 22 0.01233623 -0.43635989 0.30066551 Ti 5.97073575 -0.02975445 2.02997537 22 0.14707434 0.27087016 -0.49714882 Ti 4.00253693 1.96772230 2.04186168 22 0.13927077 -0.55882234 -0.84247521 Ti 8.05467932 -0.03007387 -0.02472897 22 -0.03778569 0.90553539 0.90754375 Ti 10.01394725 1.96611957 0.01752588 22 -0.00319031 -0.41558180 0.15245936 Ti 9.97066588 0.01389881 1.97286638 22 0.06093653 0.18540212 -0.43193532 Ti 7.98883273 2.03999581 2.00731768 22 -0.01852820 -0.86032447 -0.74080899 Ti 11.99091598 -0.00265454 0.00232647 22 0.01172790 0.87481129 0.89199037 Ti 13.98139172 2.01140598 -0.03433120 22 0.08713146 -0.52968596 0.29468660 Ti 14.06047779 -0.00958487 2.02348905 22 -0.06056528 0.29357381 -0.48948438 Ti 12.02367836 2.01113817 2.03650751 22 0.01937498 -0.78011956 -0.69966405 Ti 16.03067977 -0.02456871 -0.01009643 22 0.28007218 1.11155498 1.12980779 Ti 17.99448363 1.97582227 0.02689830 22 -1.00913083 -0.33498435 0.99916286 Ti 18.04015760 -0.02845630 2.00888093 22 -1.11996545 1.09291105 -0.29549857 Ti 16.01626831 2.01949304 2.02576131 22 0.70101389 -0.93789117 -0.81577677 Ti 0.00571691 3.97227132 0.02653417 22 0.85355722 0.05098783 0.84027790 Ti 1.97073723 6.03862563 -0.03756797 22 -0.40822109 -0.08823432 0.36057657 Ti 2.03919947 3.97236448 1.99961981 22 -0.73060713 0.14868625 -0.66552119 Ti -0.02256336 6.04791024 1.98727448 22 0.35633243 -0.06204388 -0.39037526 Ti 4.02425514 3.98847421 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0.03310011 0.82411074 Ti 18.05140640 3.97591642 1.97101969 22 -0.26361671 0.03604343 -0.37027919 Ti 16.05488131 6.04288098 2.00535610 22 0.67510237 -0.18621779 -0.78533062 Ti -0.01507513 8.01425611 -0.03107318 22 0.92213363 0.00096871 0.93140793 Ti 2.01672225 10.04698410 -0.03723153 22 -0.42251488 -0.07583853 0.33794873 Ti 2.00881007 8.03457170 2.02255880 22 -0.72659177 -0.00548351 -0.81287822 Ti -0.03254609 10.07252148 2.01614062 22 0.24355377 -0.11229549 -0.49960226 Ti 3.97047978 7.97158246 -0.02568938 22 0.02748700 0.09354205 0.17999624 Ti 5.98621042 9.95683202 -0.00301196 22 0.00158428 0.17678138 0.13194314 Ti 6.04466718 8.02334676 2.01080038 22 -0.18207670 0.02129235 -0.62814032 Ti 4.02278208 10.01132756 2.03102274 22 -0.08428927 0.00363830 -0.74136430 Ti 7.97590693 8.07168141 -0.02463805 22 0.12263428 -0.12281488 0.06697845 Ti 10.00910569 9.98074623 -0.03812606 22 0.04692795 0.04248891 0.11097484 Ti 9.98015715 8.01199412 1.99787871 22 0.12923714 0.02076439 -0.58671611 Ti 8.00087985 9.99201444 2.00687885 22 0.02468731 0.14585647 -0.57499194 Ti 12.04458967 8.00083243 0.00284703 22 -0.04319734 0.04016857 0.04901685 Ti 13.99739244 10.05856685 0.04325741 22 0.09547031 -0.14080954 -0.05202700 Ti 14.02542187 7.99801414 1.99829998 22 -0.00470003 0.10952102 -0.55231159 Ti 11.98218719 10.01038001 1.96633869 22 0.08044165 -0.05723827 -0.28465095 Ti 16.02507908 8.00999591 -0.02312862 22 0.40442904 0.05744071 0.24196415 Ti 18.03518722 9.96206115 -0.02213300 22 -0.86404822 0.02644712 0.89825884 Ti 18.02665251 8.05559804 2.02072523 22 -0.20607468 -0.08151349 -0.50970848 Ti 15.97805731 10.03517836 2.00180509 22 0.75848319 -0.06611570 -0.56241853 Ti 0.01767887 12.03226919 0.01400447 22 0.82622962 0.00302776 0.84397481 Ti 2.02244080 14.02369477 -0.01008538 22 -0.41709488 0.00366506 0.21349041 Ti 1.98049965 11.98608987 2.01354922 22 -0.60756843 0.06460290 -0.71986956 Ti -0.01978275 14.01987122 2.02251611 22 0.28228021 -0.00404801 -0.47240428 Ti 4.04091982 12.02832153 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4.03117480 -0.01026367 4.03052111 22 -0.04739676 0.01458174 -0.04967263 Ti 6.02763771 1.97590294 4.04398586 22 0.00151728 -0.60816873 -0.18863280 Ti 6.04689903 0.01268013 5.96673699 22 -0.03803414 0.00783718 0.13688273 Ti 4.05049273 2.00176666 6.02115379 22 -0.21544842 -0.54431183 0.05390257 Ti 8.03891808 -0.01376107 4.00236689 22 -0.01978366 0.16023315 -0.01894580 Ti 10.03403254 2.00467465 4.01608545 22 -0.05140361 -0.59051157 -0.01775766 Ti 10.05453490 -0.00574713 5.99236688 22 -0.16708252 0.12908538 0.00548107 Ti 8.01991433 2.03715763 6.03869746 22 0.08931435 -0.72882183 -0.04206971 Ti 12.00835922 -0.02636064 3.98696479 22 0.03986174 0.12484806 -0.01172894 Ti 13.98243671 2.03401659 4.08087911 22 0.15660943 -0.70634964 -0.25232617 Ti 14.01883282 0.01383385 6.03786159 22 0.03561293 0.01250896 -0.03991916 Ti 12.05121012 1.97304863 5.98704325 22 -0.12024985 -0.45650107 0.12849295 Ti 16.02679649 -0.01659427 4.03125051 22 0.43071202 0.24627937 -0.03265688 Ti 18.02279099 2.00075077 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4.00769515 -0.03067741 11.96174021 22 -0.05664591 0.18420065 0.15749673 Ti 5.97261971 2.04095165 11.99434396 22 0.14680423 -0.78002391 0.11897808 Ti 5.96500327 -0.01255592 14.05531366 22 0.06902577 0.17926473 -0.16748752 Ti 3.96578704 2.04191874 14.00662967 22 0.18025891 -0.72317993 -0.08481349 Ti 8.00348393 0.01092769 11.98601526 22 -0.01708345 0.19992522 0.08236132 Ti 10.03083759 2.02827766 11.99253739 22 -0.12167580 -0.70166624 0.14551028 Ti 10.02058514 -0.03254496 13.95697110 22 -0.08373299 0.24209464 0.09270506 Ti 7.94695986 2.03917008 14.05419956 22 0.35683707 -0.76754538 -0.25843509 Ti 12.03571159 -0.02739468 12.02608384 22 -0.04513055 0.09234611 -0.02753941 Ti 13.99405556 1.99298805 12.02064505 22 0.16070254 -0.54899703 0.08434548 Ti 14.03980237 -0.01244591 13.97689334 22 -0.00311930 0.11480585 0.07650606 Ti 12.01740909 1.98947873 13.97821231 22 0.00835107 -0.55189246 0.14893067 Ti 16.01758002 -0.02631897 11.95767879 22 0.42795929 0.30196256 0.10833849 Ti 18.03585440 1.98983640 12.00867862 22 -0.22338805 -0.39030084 0.08145946 Ti 18.04496861 0.01532839 14.03387698 22 -0.92457574 0.85183898 -0.00532870 Ti 16.03444062 1.99747414 14.06333147 22 0.60126696 -0.62377550 -0.14684470 Ti 0.03968056 3.99880027 11.98686498 22 -0.02452119 0.02704905 0.12926744 Ti 1.99114454 5.95486175 12.05488340 22 -0.52091292 0.15151354 -0.15218493 Ti 1.96419335 3.98784195 14.02353876 22 -0.52987978 0.01382352 -0.08416080 Ti 0.00936059 6.03848101 14.03036663 22 0.01939462 -0.06603160 -0.11660538 Ti 4.03685641 3.98383014 11.98625915 22 -0.10662320 0.16347573 0.24582188 Ti 5.95749074 6.02864463 12.02394997 22 0.14562644 -0.10480830 0.06398492 Ti 6.07183501 3.97725042 14.06348951 22 -0.29645987 0.27154464 -0.29252757 Ti 3.95897450 6.00460830 14.04887456 22 0.21212934 -0.07178581 -0.11454584 Ti 8.01779010 4.02027330 11.98776719 22 -0.04100513 -0.05870521 0.14967839 Ti 9.93911994 6.07676663 12.01831916 22 0.23215265 -0.15414348 -0.03923026 Ti 10.03830380 4.03911022 14.02669047 22 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18.05381518 10.07423789 11.94454578 22 -0.19269461 -0.13964204 0.11646159 Ti 18.02570280 8.02374841 13.99877245 22 -0.18656322 -0.01631094 -0.03829175 Ti 16.03961744 10.05554117 14.04789789 22 0.47391572 -0.23153873 -0.07578305 Ti 0.02504339 11.96161342 12.00872970 22 0.09250467 0.06213122 -0.05399477 Ti 2.03582412 14.01032663 11.97839906 22 -0.65799252 0.04301186 0.12135616 Ti 2.01680882 12.00749759 13.95955542 22 -0.51086966 0.06784301 0.17175841 Ti 0.02337444 13.97059245 13.97515969 22 0.08717590 0.05410220 0.06573631 Ti 3.99538738 12.02804128 11.96430297 22 0.05937908 -0.00099764 0.19113250 Ti 6.01886629 14.01644796 11.99247420 22 -0.20667833 -0.04411691 0.07153211 Ti 6.04811213 11.97837757 14.03404378 22 -0.09764248 0.19685201 -0.05643467 Ti 4.03599984 14.02867261 14.05465276 22 -0.10613364 -0.07886282 -0.14300540 Ti 7.99851343 12.04791816 12.04922784 22 -0.01937499 -0.18486692 -0.22288249 Ti 9.98896526 13.98412390 12.03797450 22 0.11491482 0.10973567 -0.18840735 Ti 9.97421029 12.04690270 14.02851658 22 0.16927735 -0.15823907 -0.05750524 Ti 8.03971379 14.03188635 13.99910349 22 -0.16573837 0.00225082 0.15946754 Ti 12.04781240 12.08075624 12.01384413 22 -0.10531728 -0.29624107 0.06969750 Ti 14.02940013 14.00369419 12.04803099 22 -0.00216352 0.21552692 -0.24888647 Ti 14.06547477 12.04625712 13.97645872 22 -0.26577493 -0.27101386 0.14352724 Ti 12.02092290 14.03043786 14.04039662 22 0.07270504 -0.02609288 -0.13649094 Ti 15.98821898 11.97215736 12.03819079 22 0.74852341 0.01726285 -0.25774932 Ti 18.01218461 14.03299817 12.06492068 22 -0.04487685 -0.04747569 -0.11947511 Ti 18.02633036 12.02747870 14.02556096 22 -0.05564813 -0.01549737 -0.02804888 Ti 16.02019670 13.98322568 13.95993749 22 0.61105745 0.25231427 0.20512995 Ti -0.01046182 16.04100156 12.03535230 22 0.20476761 0.36086797 -0.08176545 Ti 1.96755445 17.96051063 11.99117201 22 -0.41045977 0.01315675 0.04554149 Ti 1.99460231 16.00689338 14.03455377 22 -0.63128905 0.54626173 -0.04712814 Ti 0.00951681 17.99327355 13.97029390 22 0.78363817 -0.80584479 0.02844794 Ti 3.98573338 16.04554331 12.02363305 22 0.14882699 0.31371865 0.00302074 Ti 5.98481937 18.01882616 12.06605764 22 0.04519382 -0.01253421 -0.17047605 Ti 6.03823038 16.03531619 13.98315100 22 -0.07329301 0.53492410 0.15191753 Ti 4.02094698 17.98906978 14.00871406 22 -0.03067801 0.00036203 0.07747556 Ti 7.98630839 15.98457718 12.03078648 22 0.24337928 0.73296251 -0.06401436 Ti 9.98077839 18.01551440 12.06721207 22 0.00427144 -0.19739426 -0.15483962 Ti 10.07005418 15.99390523 14.02261316 22 -0.18245362 0.75714358 -0.11785925 Ti 8.00167616 18.04794641 14.00203638 22 0.07796802 -0.18490453 0.13633617 Ti 12.04477031 15.98699599 11.95183535 22 -0.07728391 0.58480890 0.14656329 Ti 14.00612530 18.05187296 12.05488631 22 0.02881728 -0.18076123 -0.13646170 Ti 13.98120863 16.05005595 14.04819170 22 0.14589703 0.50068222 -0.10162873 Ti 12.00120644 18.05371957 14.01129382 22 0.01436752 -0.14073894 0.02680698 Ti 16.04965649 16.04323226 12.01357479 22 0.49239826 0.65909422 -0.03145042 Ti 18.01300967 18.02605963 12.02013670 22 -0.83319375 -0.85593926 -0.02146094 Ti 18.01988453 16.04394944 13.99922626 22 -0.15371869 0.41063659 0.07381482 Ti 16.03430854 18.02906436 13.99416253 22 0.36779287 -0.16942144 0.07006980 Ti 0.01167609 0.03187906 16.00169390 22 1.03473214 0.97622087 0.33804226 Ti 2.03752517 2.03619394 16.02287463 22 -0.93928141 -0.93034192 0.76255738 Ti 2.01481918 -0.00942556 18.00850012 22 -0.31578146 1.07578682 -1.02038915 Ti 0.02318272 1.96968215 18.04714747 22 1.04736798 -0.29304478 -1.09345187 Ti 4.01743996 0.02260508 16.01652281 22 -0.00712099 0.12607542 0.52756698 Ti 5.99140654 2.02095821 15.98961713 22 -0.02330110 -0.76930682 0.87541955 Ti 5.98293573 0.02078254 18.04822566 22 0.02423165 0.84235661 -0.89981472 Ti 3.97694804 2.01514451 18.01210250 22 0.07816708 -0.50863885 -0.10647869 Ti 7.98259246 0.01575583 16.02154812 22 0.06627862 0.24421336 0.47060451 Ti 10.03584901 2.01801022 16.00597739 22 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0.11798899 -0.03306695 Ti -0.00134945 6.00214485 18.04523420 22 0.87713572 0.01625047 -0.94429311 Ti 3.98155044 3.99485068 15.99006909 22 0.19710263 0.18936869 0.68587051 Ti 6.05358980 6.01027832 16.00539267 22 -0.24866983 0.04866217 0.67448696 Ti 5.96885066 3.96853023 18.02689804 22 0.06747969 0.11776371 -0.17022348 Ti 3.99464643 5.97737257 18.06014808 22 0.00448919 0.12388265 -0.31856059 Ti 7.98475777 4.01391514 15.98472882 22 0.26097162 0.00957729 0.88958523 Ti 10.04414917 6.04365597 16.02046597 22 -0.09919180 -0.18570741 0.56133514 Ti 10.06558214 4.00197178 18.05526403 22 -0.16201310 0.00424890 -0.20441844 Ti 8.03967077 5.98840572 18.05085235 22 -0.14427051 -0.04577186 -0.18887482 Ti 12.00743044 4.01669615 16.02102388 22 -0.01706665 -0.18908977 0.48648830 Ti 13.98085510 5.96795785 16.03414797 22 0.20604507 0.18221417 0.42444216 Ti 14.00847490 4.04644287 17.95703390 22 0.08874151 -0.16633002 0.11370865 Ti 12.05941962 6.00848955 17.96133928 22 -0.16488708 0.00605001 0.13059858 Ti 16.02571346 4.04466307 16.05666227 22 0.68026385 -0.06793649 0.50786617 Ti 18.04890282 5.99714997 16.04132270 22 -0.24833820 0.06346459 0.39844076 Ti 17.99264835 3.96934742 18.05354565 22 -0.82273099 0.03006200 -0.86697122 Ti 16.01804185 6.03441189 18.04679290 22 0.45929236 0.02533517 -0.20215915 Ti -0.02097811 7.95931215 16.02050150 22 0.27846500 0.08801009 0.52759628 Ti 2.01509169 10.05049803 16.01202931 22 -0.71741654 -0.06721829 0.62165148 Ti 1.99279182 8.05868772 18.01970311 22 -0.41103720 -0.15351656 -0.24591789 Ti 0.02355984 10.06200287 18.04117518 22 0.81965057 -0.00846647 -0.90207461 Ti 3.95709674 8.04486734 15.97984811 22 0.18329161 -0.11893137 0.73011707 Ti 6.00155791 10.02192804 16.05192727 22 0.07041097 -0.22212025 0.44407674 Ti 5.99093175 8.03155726 18.04030748 22 -0.01804236 -0.14516721 -0.20415865 Ti 3.97195389 9.99347575 18.05308282 22 0.06347275 0.08766440 -0.15885385 Ti 8.02444420 7.99121612 16.01020725 22 -0.17225900 0.02927399 0.49674543 Ti 9.95314522 10.02076283 16.02587808 22 0.18126216 -0.02068173 0.51780376 Ti 9.95903915 7.96874290 17.94533686 22 0.15959942 0.10180147 0.07862851 Ti 7.99458637 9.97948045 18.01550240 22 0.00448665 0.03329357 -0.00995620 Ti 12.06049844 8.03350987 16.00488256 22 -0.11202589 -0.01374350 0.56858978 Ti 13.98772867 10.05074910 16.05251804 22 0.18366981 -0.06732074 0.45908811 Ti 13.97722286 7.98284806 18.05905363 22 0.14639732 0.11079052 -0.14650804 Ti 12.00775564 10.01350043 18.00138314 22 -0.11128454 -0.04043656 -0.06173898 Ti 16.02251504 7.99465844 16.02609273 22 0.61230022 0.02460330 0.65735072 Ti 17.99060204 10.04557338 16.00121418 22 -0.15303671 -0.09468097 0.51544050 Ti 18.05821723 7.99352760 18.03173973 22 -0.96065659 0.05217958 -0.89716237 Ti 15.98326396 9.99755603 18.05290377 22 0.45589020 -0.01206891 -0.30411998 Ti 0.01098540 12.03959377 16.05480477 22 0.15093281 -0.05696383 0.36513155 Ti 1.97972472 14.01168331 16.04673917 22 -0.45421585 -0.06268722 0.55444641 Ti 1.96272073 12.05597386 18.02808538 22 -0.34074766 -0.10143703 -0.16504124 Ti 0.02515377 14.00863374 18.02262456 22 0.75042438 0.00753681 -0.78996688 Ti 4.06301712 11.97891902 16.00991381 22 -0.21806343 0.15613712 0.56614734 Ti 5.95235778 14.06084610 16.01878366 22 0.17353144 -0.09607496 0.58959997 Ti 6.06132960 11.98940882 17.98896664 22 -0.16597861 0.04005744 0.02052679 Ti 3.98553606 14.00687953 18.04881498 22 0.06262592 0.02428943 -0.17912590 Ti 8.00614604 12.04141827 16.04442455 22 -0.06616618 0.05145559 0.46297269 Ti 10.04746849 14.04403943 15.97875811 22 -0.14667819 -0.02284017 0.72035762 Ti 9.97615956 12.01880054 18.00255431 22 0.07130412 -0.07895851 -0.03025077 Ti 8.03139829 13.97073073 18.03404404 22 -0.04995638 0.16715124 -0.10761324 Ti 12.00054491 12.03780459 16.00944230 22 0.01037420 -0.15238261 0.48331303 Ti 14.05010613 13.96643188 16.01261307 22 -0.04602805 0.29242433 0.57978940 Ti 13.94974289 11.99775923 18.02261320 22 0.16624409 -0.00518923 -0.01216293 Ti 12.01321760 13.94668864 17.96575899 22 0.00940056 0.21834929 -0.01427010 Ti 16.01227746 12.06102102 16.02033607 22 0.76731485 -0.14036958 0.76518444 Ti 18.05416221 14.02071717 15.99502647 22 -0.29594366 0.04171565 0.46133991 Ti 18.01885298 11.95496567 18.03735472 22 -0.90537247 0.00114228 -0.90699715 Ti 15.98521608 14.03186213 18.03675294 22 0.50537755 -0.00555067 -0.25110885 Ti 0.02251444 15.98580755 16.01315770 22 0.19590924 0.53813901 0.48937122 Ti 2.00357928 18.00832788 15.98028057 22 -0.50502582 -0.20611296 0.58223843 Ti 1.99973182 16.01249812 18.01895083 22 -0.48685414 0.56464873 -0.24740792 Ti 0.03985601 18.01906863 18.01943587 22 1.23372044 -1.23438306 -1.21200149 Ti 4.01717978 16.04782989 16.03204859 22 -0.03879483 0.64335204 0.67100730 Ti 6.04410149 18.04700989 16.02792032 22 -0.02912468 -0.26170895 0.42492494 Ti 6.00364704 16.05040428 18.04061147 22 0.00033924 0.38312217 -0.21814805 Ti 3.99775553 18.05941512 17.99661121 22 -0.00167805 -0.89768113 -0.85653014 Ti 7.99936952 15.99160866 16.05436959 22 0.05245336 0.74380090 0.60174002 Ti 10.04876828 18.01106729 16.04937603 22 -0.10126686 -0.24382711 0.39149905 Ti 10.02735902 16.00120237 18.04157290 22 -0.02426411 0.40361842 -0.24128390 Ti 8.02947720 18.00436420 18.05458067 22 -0.00239071 -0.85405106 -0.89280620 Ti 12.00995109 16.03176684 15.98277002 22 0.13415827 0.65265337 0.91330782 Ti 13.98041217 18.03912273 16.05682553 22 0.07197633 -0.22229485 0.38830411 Ti 14.06365634 16.02888763 18.05329351 22 -0.09779794 0.37944656 -0.32514804 Ti 12.02797146 17.98688288 18.05315024 22 0.01211986 -0.80655747 -0.86275608 Ti 16.04101208 16.05120626 16.00256194 22 0.71357094 0.61622654 0.82304441 Ti 18.02566905 18.01226019 16.02627318 22 -1.03059389 -1.04382524 0.29286461 Ti 18.05479929 16.02713967 18.00490776 22 -1.12538320 0.29179033 -1.06737201 Ti 16.01245236 18.00676783 18.04043609 22 0.31087302 -1.03234413 -1.05822555