256 Lattice="16.27878913879395 0.0 0.0 0.0 16.27878913879395 0.0 0.0 0.0 16.27878913879395" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1097.0910218865995 stress="-6.01727015133079 0.24133400578977104 -0.6888229953673886 0.24133400578977104 -5.325870801067069 0.5945697382271362 -0.6888229953673886 0.5945697382271362 -5.387263459038396" pbc="F F F" Ti -0.02823560 0.03443895 0.00427633 0.94015071 0.87494723 0.98346544 Ti 1.98976033 2.01114080 -0.03295392 -0.05257867 -0.11401522 -0.05744430 Ti 2.05976167 0.05773196 2.05596972 -0.19078346 -0.24078240 -0.24194013 Ti 0.01074708 2.02891433 2.07126615 -0.24856292 -0.06899475 -0.33754096 Ti 4.04904070 0.01217169 -0.03660328 -0.02076781 0.55955199 0.63335308 Ti 6.09246584 2.03537113 0.03332619 0.12362746 -0.17428845 -0.64598456 Ti 6.14204464 0.02054276 2.02116945 -0.32445840 -0.42574928 -0.16601328 Ti 4.10000017 2.06867358 2.00035675 -0.56114809 -0.45395264 0.14130694 Ti 8.10975128 0.00416311 -0.01586781 0.14217999 0.42146873 0.40925555 Ti 10.15313849 2.05803503 -0.02364777 0.32868124 -0.31138388 -0.15039129 Ti 10.17859770 -0.03907359 2.03173862 0.04974476 -0.18855576 -0.30101174 Ti 8.17719041 1.99445678 2.00291062 -0.18512381 0.13550652 0.13203767 Ti 12.22947870 0.03373348 0.00048198 -0.02313305 0.59609306 0.67255954 Ti 14.22725599 2.01146062 0.01901410 -0.66487505 0.02724292 0.68144158 Ti 14.25048617 -0.00435853 2.05040588 -0.58797316 0.60960779 -0.19247502 Ti 12.17647053 1.99497578 2.06564165 0.21065386 0.21260301 -0.73828335 Ti 0.03355151 4.10260378 0.02297508 0.27977166 -0.17143812 0.29631777 Ti 2.06614972 6.10183143 -0.02906855 -0.47498945 0.08885137 -0.32850318 Ti 2.00263386 4.08362911 2.00216045 0.18608794 -0.32062193 0.11802907 Ti 0.00215438 6.06728451 2.07127960 -0.36145272 0.29792645 -0.45028515 Ti 4.05161025 4.08062335 0.00996713 -0.13399550 -0.19673095 -0.48946105 Ti 6.07332837 6.08088065 0.00503816 0.18418501 0.06838087 -0.32264677 Ti 6.09044022 4.03525451 2.00848153 0.35706442 0.20246326 0.18434345 Ti 4.03218795 6.13694437 2.01065022 0.05832585 -0.30215899 0.13526525 Ti 8.17353592 4.07936401 0.03716601 -0.27300823 -0.12465074 -0.54492011 Ti 10.17176829 6.08461436 -0.03383089 0.14261507 0.32249586 -0.20890712 Ti 10.15653346 4.08558447 2.04943785 0.30475918 -0.22757901 -0.15181685 Ti 8.17275396 6.07186299 2.04455676 -0.25824087 0.19497272 -0.00150804 Ti 12.21865029 4.10562323 -0.02030121 0.09305191 -0.35589990 -0.11001483 Ti 14.27903208 6.06593653 0.00724528 -0.55908196 0.19211417 0.54779577 Ti 14.22994710 4.07122698 2.00833127 0.23944925 -0.21138721 -0.15293811 Ti 12.19970312 6.09224374 2.03187815 0.19326173 0.16920430 -0.32840158 Ti -0.00769075 8.14034722 -0.02696738 0.57277831 -0.04656457 0.59849422 Ti 2.03220886 10.21423661 0.02835486 -0.12086037 -0.07785717 -0.46366649 Ti 2.00634543 8.13601037 1.98288713 -0.23491415 0.18584896 0.34191908 Ti -0.01421117 10.21458874 1.99479771 -0.30334703 -0.29270155 0.06595559 Ti 4.03733662 8.14439636 0.00708904 0.09201412 0.14943160 -0.55415813 Ti 6.12239196 10.18296106 0.00103370 -0.09175406 0.13836106 -0.30423667 Ti 6.06520942 8.11566659 2.00762593 0.30997562 0.21173177 0.29460515 Ti 4.08956674 10.17805026 2.02594614 -0.21406294 0.10928149 0.21384990 Ti 8.10545317 8.16749357 0.04002081 0.21334249 -0.25849658 -0.41817363 Ti 10.20112771 10.18023455 -0.01427030 -0.01614344 -0.05223261 -0.23794853 Ti 10.14638647 8.10331614 2.07239857 0.27945268 0.05272088 -0.28897386 Ti 8.17335122 10.16887636 2.03914946 -0.27612996 0.06747321 0.11258015 Ti 12.26049762 8.16229770 -0.00580340 -0.00634899 -0.23293078 -0.08579221 Ti 14.22443996 10.22624078 0.01548349 -0.24627022 -0.13130096 0.48811830 Ti 14.24588812 8.16210961 2.06842494 0.28690388 -0.07968555 -0.37393136 Ti 12.17212901 10.16607785 2.03221419 0.37036405 -0.05557301 -0.08401599 Ti 0.01744338 12.18807479 -0.00465661 0.53223183 0.28135264 0.55225442 Ti 2.04815858 14.22718017 0.01379352 -0.10571783 -0.65506699 0.64367556 Ti 1.99828198 12.20196590 2.04613863 0.11450709 0.28622902 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0.47978643 0.04779416 Ti 2.03480283 2.07519310 4.10904316 0.18457345 -0.29106360 -0.28903024 Ti 2.01924467 -0.01347982 6.10750712 -0.24407375 -0.20068226 -0.23275700 Ti 0.00874257 2.00874675 6.07413129 -0.43681148 -0.20975796 0.10130195 Ti 4.10348879 0.00477463 4.10142056 -0.26013946 -0.26904276 -0.21475950 Ti 6.08132843 2.00853149 4.07603314 0.26416627 0.14562241 -0.21009058 Ti 6.13637863 -0.02618641 6.10471862 0.05475818 -0.30415101 0.07792515 Ti 4.10972480 2.03683196 6.12035038 -0.40607801 -0.00560519 -0.34781132 Ti 8.13505757 -0.03172336 4.03700638 0.13447792 -0.16247125 0.18749855 Ti 10.13834754 2.06200744 4.04930366 0.27513778 -0.36875075 0.32814002 Ti 10.19135635 0.00112503 6.13579308 -0.10935125 -0.07398783 -0.34174494 Ti 8.10101681 2.05971970 6.10710785 0.24597948 -0.31957114 0.19644186 Ti 12.24229218 0.03173442 4.03000366 -0.08782582 -0.43658845 0.38579807 Ti 14.20737358 2.03895497 4.03258881 0.48665228 -0.06696135 0.19257791 Ti 14.27365187 -0.02897154 6.09422847 -0.66741962 0.72350261 0.04316558 Ti 12.24534369 2.05129564 6.14486386 -0.05399234 -0.17183794 -0.23597527 Ti 0.01205424 4.09189847 4.10823467 -0.46887925 -0.25751401 -0.12554147 Ti 2.01179672 6.08150955 4.06276624 0.33878881 0.18282505 0.10439907 Ti 2.03851974 4.05324831 6.14198893 0.18960322 0.23905054 -0.29481851 Ti 0.03997997 6.12145920 6.09156486 -0.38640617 0.01289701 0.21375794 Ti 4.10639572 4.10611433 4.02810960 -0.38456537 -0.23418493 0.16693798 Ti 6.13588675 6.07265901 4.01905333 -0.15653538 0.11687060 0.18094836 Ti 6.08444221 4.04329760 6.12273915 0.30536663 0.26423078 -0.15406029 Ti 4.10665615 6.07600083 6.11647978 -0.36892891 0.19758045 -0.30329704 Ti 8.13145326 4.04058254 4.11007680 -0.14653027 0.02671287 -0.42181992 Ti 10.20807385 6.06345809 4.09984084 -0.25696185 0.26080481 -0.29362144 Ti 10.17024250 4.08381442 6.11170012 0.08412908 -0.35558239 0.13913466 Ti 8.15071992 6.10877057 6.06812123 -0.37256407 -0.11358386 0.32866703 Ti 12.19881185 4.07609232 4.05119962 0.13315838 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0.45585652 0.06970029 Ti 8.15130668 10.21237401 6.07486725 -0.04708313 -0.32284100 0.18974254 Ti 12.23981928 8.11630461 4.04093775 -0.24719122 0.19433348 0.25621267 Ti 14.22344386 10.21042214 4.09504085 0.31788141 -0.00614138 -0.13641109 Ti 14.21243756 8.08368147 6.14435855 0.45289544 0.12500117 -0.26725823 Ti 12.24723378 10.15794028 6.13805863 -0.38812875 0.01257038 -0.33291018 Ti -0.03686619 12.20983985 4.04302446 -0.22759913 0.26076143 0.19209588 Ti 2.04970454 14.21590617 4.06984930 -0.33175794 0.30834629 0.05370090 Ti 1.99007344 12.20762574 6.14118261 0.23346614 0.18922298 -0.06464349 Ti 0.00190027 14.28256952 6.12249457 0.45303705 -0.63410001 -0.12777662 Ti 4.04839628 12.19601506 4.09552023 -0.02913687 -0.05812936 -0.23823165 Ti 6.10880995 14.21494767 4.09491007 0.10501234 0.48690056 -0.30763924 Ti 6.08809335 12.23929812 6.11996923 0.17215475 -0.16796810 0.09503786 Ti 4.10373980 14.21744085 6.07545987 -0.42409866 0.46390162 0.26174393 Ti 8.12040452 12.21768776 4.10755734 0.29088195 0.23396482 -0.31579000 Ti 10.18487805 14.26533720 4.09591458 -0.02905066 0.18881869 -0.12837895 Ti 10.17221390 12.19899366 6.12880351 0.24919008 0.14216069 -0.19749562 Ti 8.15393462 14.27520281 6.14501184 -0.07121079 0.27874690 -0.25486924 Ti 12.16780251 12.19642930 4.03947085 0.42120732 0.30359716 0.39990989 Ti 14.25082839 14.22891262 4.08710225 -0.63521120 -0.49720499 -0.02075365 Ti 14.24446555 12.22769287 6.12949367 0.18615110 0.10101410 -0.17129380 Ti 12.20584223 14.23840002 6.14867424 0.09476042 0.18959510 -0.23537330 Ti 0.03367631 0.01490783 8.18949927 0.41410576 0.39996719 -0.09946369 Ti 2.02154776 2.06343360 8.09918826 0.00387356 -0.29445406 0.46562566 Ti 2.06041107 -0.03951407 10.18296793 -0.36850209 -0.08812510 0.01502114 Ti -0.01838443 2.02288369 10.17154336 -0.09836576 -0.10813184 0.03932376 Ti 4.03662046 0.01468039 8.06660633 0.05583546 -0.44788451 0.39671843 Ti 6.04454176 2.03445019 8.14747248 0.44060138 -0.14181229 0.21809571 Ti 6.11746881 -0.01141042 10.20406298 -0.12049084 -0.26006546 -0.21971685 Ti 4.03130908 2.00983421 10.19369715 0.08606845 0.28981635 -0.34624340 Ti 8.14850937 0.01256256 8.17088723 -0.10479806 -0.32488643 -0.19754107 Ti 10.16203965 2.05757384 8.15488777 0.16126598 -0.02873564 -0.17404508 Ti 10.14657279 -0.01075512 10.18916191 0.40657480 -0.32493299 -0.02177976 Ti 8.14753166 2.03720554 10.14482052 -0.10238599 0.18596983 0.40367964 Ti 12.18495525 -0.01398326 8.10577749 0.36411670 -0.14201013 0.17548614 Ti 14.26600785 2.06706823 8.17229462 0.13261122 -0.37751773 -0.17306690 Ti 14.22114028 0.00714837 10.12767389 -0.52240343 0.44808009 0.13045093 Ti 12.18558411 2.01486476 10.18221553 0.14347186 -0.15606048 -0.10145728 Ti 0.00670517 4.07307133 8.11178090 -0.41048746 -0.05185174 0.09985122 Ti 2.05367306 6.12469235 8.16975538 -0.07962175 -0.02482628 -0.24672453 Ti 1.99782081 4.10378831 10.20442477 0.19243748 -0.17667860 -0.20211963 Ti -0.03701468 6.11299149 10.14186721 -0.22747777 -0.11767268 0.31129443 Ti 4.09448479 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Ti 14.25451300 12.18820900 10.13797545 0.16752062 0.19884712 0.22645292 Ti 12.25152378 14.24633449 10.14382845 -0.08427917 0.10547533 0.20063590 Ti -0.03554484 0.03350430 12.20989343 0.86776452 0.74595546 0.13639773 Ti 2.03888355 2.06744100 12.17032244 -0.27946226 -0.51971480 0.77625397 Ti 2.01419564 -0.02384462 14.26018133 -0.00581996 1.02536054 -0.98782326 Ti -0.03146717 2.03993462 14.26781973 0.88739676 -0.16208856 -0.80208797 Ti 4.07866291 0.01350642 12.17184464 -0.23121372 -0.34842445 0.64813718 Ti 6.08436132 2.02123293 12.21085666 0.32625162 -0.01183275 0.14340625 Ti 6.05856042 0.01311589 14.27641465 0.13962429 0.51973168 -0.67288454 Ti 4.10488123 2.06029473 14.25897725 -0.47356151 -0.32106400 0.10057599 Ti 8.17703987 -0.00570024 12.17006388 -0.27204249 -0.22395770 0.45317135 Ti 10.21064148 2.02340950 12.22856388 -0.13686766 0.06953911 -0.28262100 Ti 10.19464854 -0.00811223 14.21408618 0.03226070 0.37504695 -0.33916928 Ti 8.17239458 2.00995549 14.20747452 -0.33934179 -0.21991784 0.34543586 Ti 12.22536295 -0.02664829 12.25309199 0.23398776 -0.21965977 -0.03350439 Ti 14.20350792 2.01789998 12.20060202 0.44139004 -0.24018195 0.21800832 Ti 14.25426847 0.01987658 14.25838634 -0.95636876 0.94970824 -0.90347979 Ti 12.18419833 2.06364081 14.20761151 0.43395526 -0.30345027 0.49742272 Ti -0.00491379 4.03310556 12.23100820 -0.33075534 0.11833984 0.13681776 Ti 2.03256917 6.11811711 12.24455249 -0.13411393 -0.19327944 -0.02593207 Ti 2.01388475 4.08223685 14.26000442 -0.07027492 -0.20715571 0.11596534 Ti -0.03491818 6.09871767 14.23099877 0.52284803 0.00270441 -0.46587757 Ti 4.12674807 4.09030094 12.19568088 -0.56642545 -0.20532697 0.10528593 Ti 6.07024527 6.09729387 12.17655274 0.22328142 0.24697031 0.43518875 Ti 6.07204628 4.08804154 14.28135434 0.31299251 -0.17484159 0.21129922 Ti 4.07269667 6.09172642 14.25531818 -0.04488969 0.06864074 0.30328299 Ti 8.14743448 4.08304239 12.24628330 -0.13728092 -0.25902270 -0.17248241 Ti 10.17374368 6.14236453 12.22929303 0.28138899 -0.32924231 -0.02420033 Ti 10.14036249 4.04267288 14.24501696 0.34518302 0.22323085 0.28176552 Ti 8.12581159 6.09280927 14.27917692 -0.06213842 0.18114743 0.12624695 Ti 12.27974809 4.06538256 12.19273059 -0.42596909 0.20237486 0.36831069 Ti 14.25051199 6.13357196 12.20023498 0.24118847 -0.14088642 0.45081257 Ti 14.25090153 4.06092281 14.27983297 -0.55952184 -0.02825245 -0.64293515 Ti 12.21499630 6.11130566 14.26158061 0.13173873 -0.11970956 0.13704095 Ti -0.00850437 8.11456580 12.20173494 -0.16034032 0.19147146 0.32404131 Ti 2.06718852 10.20114892 12.24536829 -0.54277645 -0.18720335 -0.19150122 Ti 2.06103994 8.10779114 14.25098366 -0.37226653 0.19693744 0.24607761 Ti -0.00073376 10.17407823 14.27456875 0.62359101 -0.00103357 -0.74533753 Ti 4.09551969 8.17771702 12.22382919 -0.32604247 -0.25093551 -0.05969513 Ti 6.07558110 10.14916417 12.23659342 0.35269157 0.42874672 -0.06431807 Ti 6.08589978 8.16050112 14.24249137 0.20734917 -0.11334644 0.34725105 Ti 4.04633786 10.21355840 14.26011379 0.03150359 -0.10080068 0.56955874 Ti 8.17765943 8.16177326 12.20818198 -0.37073611 0.01733826 0.21835857 Ti 10.15081625 10.23306541 12.17647368 0.27346120 -0.27871948 0.08776947 Ti 10.15653716 8.17649754 14.23579105 0.08633952 -0.10149376 0.46778268 Ti 8.18236021 10.21189707 14.25890361 -0.23390738 -0.04483380 0.32040287 Ti 12.19256071 8.17713281 12.26684911 0.04147825 -0.28112853 -0.38591822 Ti 14.22784487 10.16752052 12.19641762 0.34275541 0.23486156 0.14845175 Ti 14.23931368 8.16692286 14.23418979 -0.35748731 -0.11651727 -0.38913111 Ti 12.22288544 10.15852982 14.23212416 0.14825160 0.26421556 0.44703572 Ti -0.01675045 12.26318706 12.17730641 -0.19726797 -0.19790427 0.30869493 Ti 1.97614807 14.26372761 12.24904652 0.26227838 0.15851661 -0.07537033 Ti 2.00665568 12.20283213 14.20807539 -0.22657850 0.39088153 0.40919907 Ti 0.02808917 14.27464302 14.20646865 0.72650594 -0.84986412 -0.72785965 Ti 4.09286647 12.18851066 12.24843491 -0.09646302 0.53587786 -0.18454018 Ti 6.07157901 14.25808034 12.19242890 0.07582374 0.07376584 0.24435589 Ti 6.11806083 12.21308143 14.26802109 -0.02849129 0.25210171 0.14916360 Ti 4.04878290 14.26689370 14.26836497 -0.04195388 -0.66171350 -0.63764017 Ti 8.15230342 12.17260658 12.20504560 -0.33259783 0.57505739 0.17990746 Ti 10.15146550 14.25034401 12.20260257 0.25437135 0.14042027 0.20423477 Ti 10.23161453 12.20240014 14.22433586 -0.19072396 0.41790074 0.43525989 Ti 8.09079633 14.26158792 14.21146909 0.11688086 -0.60537633 -0.54039011 Ti 12.20705010 12.21153967 12.24607967 0.30963709 0.33820200 -0.34833861 Ti 14.27115261 14.20890887 12.17417962 -0.67496327 -0.57840663 0.05286613 Ti 14.23812964 12.27129100 14.21173600 -0.51029507 -0.17420051 -0.53573575 Ti 12.26106294 14.22692550 14.25255686 -0.06348393 -0.49701503 -0.72451546