108 Lattice="11.896168454432312 0.0 0.0 0.0 11.896168454432312 0.0 0.0 0.0 11.896168454432312" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-402.0509546295862 pbc="F F F" Ti -0.00766357 0.03735434 -0.02120820 22 0.52333827 0.26396454 0.46179873 Al 2.01397771 2.01728945 0.00631881 13 -0.92938578 -0.38126087 -0.82030827 Ti 1.98119419 0.00254337 2.01148801 22 -0.07074202 -0.91899470 -0.64947317 Al 0.01951493 1.99157892 1.97067607 13 -0.31807621 0.44010081 0.17869178 Ti 3.99223172 0.00638635 -0.02867046 22 -0.24028396 -0.23303366 0.08146812 Ti 5.96201073 1.95012139 0.00616796 22 -0.32405465 0.32897855 -0.80352115 Ti 5.94045259 -0.01954883 1.95964849 22 0.17321096 -0.51113980 0.30998733 Ti 3.99857301 1.95286533 2.00782540 22 -0.11350087 0.46519626 -0.61402935 Al 7.90560392 -0.03377646 0.00265592 13 0.21369943 -0.29474389 -0.76890597 Al 9.90950846 2.00461596 0.02654403 13 0.49830021 -0.31347004 -0.92694256 Ti 9.84409213 0.00642654 1.95119219 22 0.41520263 -0.21003783 0.87386766 Ti 7.95483696 2.01140186 1.94715291 22 -0.69480905 -0.23129722 0.92544357 Al -0.01872980 3.99599236 0.02544084 13 0.11127493 -0.25193368 0.03522713 Al 1.95632786 5.93516989 0.00025119 13 -0.51421165 0.97145715 -0.53278188 Ti 1.99591179 3.98623353 1.95382649 22 0.79847643 0.17671730 0.81228321 Al -0.01681669 5.98672378 2.00317922 13 -0.25716089 0.41633775 -0.28154903 Ti 3.93305841 3.96117959 0.01537477 22 0.30067882 -0.00754150 -0.77985542 Al 5.98322776 5.91344566 -0.01886449 13 -0.71984290 0.25958592 -0.56224710 Al 5.93398278 3.96086915 1.95259521 13 0.55246204 0.20310057 0.17203634 Ti 3.92731830 5.98049793 1.97662636 22 0.49613362 -0.43348374 0.31124826 Ti 7.89217577 3.93428955 -0.03904331 22 0.37893218 -0.03394138 -0.55476429 Al 9.95074589 5.91557313 0.03280969 13 0.41997032 0.01838742 -0.66929843 Ti 9.90786715 3.94054858 2.01289821 22 0.61362269 0.09566904 -0.08709750 Ti 7.90647490 5.92302228 2.01135271 22 0.20492757 0.58244335 -0.49174271 Al 0.06462913 7.92426166 -0.03795949 13 -0.07590072 -0.78174064 0.26887908 Ti 1.95341675 9.90764414 0.02352526 22 0.35147488 0.41455840 -0.09428198 Al 2.00734167 7.91487762 1.97595777 13 -0.78474376 0.62119657 -0.53963492 Ti -0.00845470 9.94340549 1.95078096 22 0.12705870 -0.03656813 0.12559078 Al 3.96871818 7.90680517 -0.03138725 13 -0.16356253 0.04495591 -0.32724145 Al 5.93603500 9.90806977 0.00063483 13 -0.15366898 0.17085054 0.16344490 Ti 5.91031902 7.93732249 2.01620397 22 0.43782498 -0.92038383 0.21425930 Al 3.96140324 9.89749975 1.97598494 13 -0.80415413 0.51775025 -0.46803946 Ti 7.93522049 7.90849217 0.00932235 22 0.18680603 0.13821425 -0.38663997 Ti 9.91637076 9.94220947 -0.01421370 22 -0.45385298 -0.46127220 0.38992406 Ti 9.94270990 7.96276445 1.93436171 22 0.43938568 -0.24540443 0.17754449 Al 7.91673799 9.87625935 2.01737015 13 0.21796948 0.80218945 0.09647514 Ti 0.02995539 -0.01332860 3.97656375 22 -0.47795698 -0.08691627 -0.28601133 Al 2.03020466 1.97990225 3.94937053 13 -0.33588247 -0.09298996 0.68644428 Al 1.94990475 -0.01352618 5.92525790 13 1.33224679 -0.17640674 0.15124584 Ti -0.00897741 1.96404252 5.97465120 22 -0.58853004 0.33887986 -0.30225930 Al 3.99303088 0.02859390 3.95517013 13 -0.78785323 -0.83973929 1.19812514 Ti 5.94769695 1.94451823 3.98349528 22 0.57265574 0.87752108 -0.68280807 Al 5.93231454 0.01171717 5.90875909 13 -0.35497597 -0.26547623 0.89310254 Al 3.97508777 2.00441662 5.96294065 13 -0.32829097 -1.68527954 -0.32504138 Ti 7.91568223 -0.03177689 3.93911033 22 0.23686452 -0.39336140 -0.38383538 Ti 9.91858352 2.00595275 3.95985338 22 0.66788068 -0.45237223 -0.06174070 Ti 9.87953890 0.00273269 5.92498309 22 0.24362223 -0.35931425 -0.10480959 Al 7.92329986 1.97202119 5.96389595 13 -0.34488961 0.47561495 0.56733895 Al 0.03212320 3.94734238 3.92044548 13 -0.72835101 -0.18957645 -0.12212947 Ti 1.99394046 5.98746790 3.93281463 22 0.48934221 -0.73429645 0.40567075 Ti 1.95144871 3.96100651 5.98741569 22 0.42466923 -0.37144045 -0.65347486 Al -0.00956716 5.95553006 5.92497869 13 -0.83846277 -0.36568121 0.26631692 Ti 3.99690295 3.99703697 3.93257393 22 -0.65850137 -0.15443812 0.13625799 Ti 5.95366973 5.90859228 3.98284890 22 -0.26513070 0.82720847 -0.53926507 Ti 5.94673583 3.99561893 5.92978584 22 0.06426749 -0.35960305 0.36257214 Al 4.00203942 5.96439706 5.96256635 13 -1.22250985 -0.24409479 0.15512310 Al 7.94837745 3.98131070 3.97381940 13 -0.41614371 -0.24960682 0.13345330 Al 9.89540528 5.94015478 3.96854910 13 0.17955433 0.74129642 0.41574321 Ti 9.88161867 3.99428644 5.94934233 22 1.22368996 -0.17503687 0.43388318 Al 7.94723479 5.95316570 5.93745130 13 0.59075008 0.71391734 0.05049052 Al 0.03647160 7.96723556 3.97286627 13 -0.52900644 0.09372987 -0.38901104 Al 2.01232547 9.90894068 3.94990794 13 -0.44561763 0.40558511 -0.50603193 Ti 1.95446653 7.90050399 5.96345627 22 0.84137013 0.40180399 0.22219847 Al -0.00314990 9.93919631 5.91518167 13 -0.14335483 0.20672846 -0.43717158 Ti 3.94624887 7.91480953 3.95358928 22 0.52195731 -0.21225566 0.32893646 Ti 5.90946862 9.93818160 3.94935770 22 -0.00976847 0.46284070 0.38758130 Ti 5.91563909 7.90734853 5.95805000 22 0.35688596 0.38894480 0.05958347 Ti 3.99443659 9.88966877 5.95168354 22 -0.26370384 0.55162752 0.38749591 Al 7.91903814 7.90985234 3.96888272 13 1.06041003 0.50839179 0.48136811 Al 9.94163381 9.93390710 3.95609307 13 -0.58000054 -0.31258840 0.20715571 Al 9.93436303 7.93756948 5.95910430 13 -0.49270016 -0.29921114 -0.65978876 Al 7.95540909 9.90143950 5.89701907 13 0.29783194 -0.04356799 0.18285063 Al 0.06087794 0.00323471 7.90640109 13 -0.12555900 -0.58498885 0.32439300 Ti 2.00042449 1.98696886 7.94404959 22 0.50258283 0.22240185 -0.92710589 Al 2.04199368 0.03488716 9.91640549 13 -0.22063642 -0.54935423 0.06487332 Al 0.02770997 1.97853674 9.88093399 13 -0.01005910 0.23949090 0.06082766 Al 4.02163528 -0.02648442 7.93617323 13 -0.28384080 -0.22623017 -0.98617733 Al 5.93499973 1.96150947 7.90764186 13 0.83018778 -0.43532228 -0.66208675 Ti 5.92699483 -0.01531243 9.95113362 22 0.38276847 -0.14371885 0.02075931 Ti 3.98808194 1.98846366 9.88082098 22 0.32023638 0.34350892 0.92829297 Ti 7.96583101 -0.02443025 7.91360139 22 -0.70453880 -0.94425126 0.10849056 Al 9.91305223 1.98273442 7.91577504 13 0.03865130 0.42062403 0.41164943 Al 9.93711746 -0.01354443 9.93849716 13 -0.17944727 0.47972376 -0.20274724 Al 7.93070236 1.95328535 9.95133893 13 0.32901373 0.29285341 -0.21062964 Al -0.01258115 3.94345323 7.96003560 13 -0.42854174 0.62507708 0.32069135 Al 2.03116673 5.92788717 7.90063935 13 -0.49685956 -0.27311334 0.56079938 Al 2.02110242 3.94524751 9.88715220 13 -0.66223876 0.76937349 0.66004793 Ti 0.00866985 5.96872767 9.90650154 22 0.01422997 0.24161894 0.13012978 Ti 3.94832706 3.93137426 7.89071211 22 0.64348894 0.07705652 0.29445389 Ti 5.95887422 5.91374773 7.96445920 22 -0.01143694 0.32065663 -0.50733589 Ti 5.98155154 3.97003416 9.88135919 22 -0.49874640 -0.21287194 0.95156760 Al 3.96355999 5.91435223 9.94987400 13 -0.48967058 0.12791628 0.62279772 Al 7.93373024 3.94753569 7.96523348 13 0.31314922 -0.91769386 -0.31576410 Ti 9.93259201 5.94510646 7.97025184 22 0.96670724 -0.26204193 -0.74319898 Ti 9.94870231 4.03919628 9.94679460 22 0.17755927 -0.42645557 0.01547055 Al 7.97514883 5.97789557 9.87798829 13 -0.41280541 0.69466809 0.76914960 Ti 0.01972723 7.94649940 7.95363547 22 -0.60296736 -0.25719678 0.21708527 Ti 1.94533822 9.89189523 7.95396428 22 0.32726337 0.42394236 -0.33821294 Ti 2.00894979 7.92908615 9.94316550 22 -0.72090188 -0.23002134 0.36510764 Ti -0.02306953 9.91691917 9.89959569 22 0.37644388 -0.39268021 -0.22112552 Ti 3.97708363 7.89782425 7.93546242 22 -0.18961544 0.46079324 -0.27326767 Ti 5.93607103 9.88439676 7.96603890 22 0.03702795 0.98030027 -1.09083682 Al 5.97631913 7.96900091 9.89063992 13 0.28833354 -0.56591556 1.00226897 Al 3.92952924 9.90560635 9.91116758 13 0.38054337 0.51348872 0.68406632 Al 7.95074957 7.96972296 7.93445484 13 0.07496289 -0.39178575 -0.06828078 Ti 9.94438015 9.88010645 7.92626171 22 0.12854668 0.49362803 -0.30046004 Al 9.90172511 7.94136661 9.90043600 13 -0.32933707 -0.11323159 0.36951178 Al 7.91934734 9.94956099 9.91406105 13 0.10033896 -0.39649252 0.06542077