500 Lattice="20.019401999321627 0.0 0.0 0.0 20.019401999321627 0.0 0.0 0.0 20.019401999321627" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2008.3418563432117 pbc="F F F" Ti -0.00261279 0.01672222 0.01721418 22 0.35272790 0.48265798 0.50063048 Al 1.97220069 2.02698528 0.07034917 13 0.79169585 -0.58393155 -0.23682817 Al 2.01273461 -0.03353402 1.99393536 13 0.80108935 0.20877577 -0.06303911 Ti -0.02094010 1.99062185 2.01755428 22 -0.67175590 -0.27969747 -0.10157860 Al 4.03681126 -0.02458398 -0.00545733 13 -0.25256221 0.66572426 0.54518635 Al 5.94767655 2.01443142 0.05623541 13 0.43054303 -0.77716892 -0.26940802 Al 6.04139632 -0.02770711 1.96551797 13 -0.30941634 0.55487661 0.64374042 Al 3.98465070 2.01897050 1.96738451 13 -0.34620001 -0.57794254 0.90991146 Ti 8.02330202 0.03980701 0.00462747 22 0.23952360 -0.17229833 -0.25812793 Ti 10.03918946 1.96443708 0.01433957 22 -0.61957666 0.43568314 -0.42815016 Ti 9.99270417 0.02917111 2.01692707 22 0.23043153 -0.74329505 -0.11578165 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0.44506084 0.45632484 -0.11023345 Ti 18.02525898 12.05118009 10.02678305 22 0.62918447 -0.40913976 -0.47064388 Al 16.02288463 14.01925631 10.00223688 13 -0.39204461 0.20957021 -0.16707006 Al -0.01173024 15.98805982 8.03680558 13 -0.21712099 -0.02927343 0.15716769 Al 1.97522456 18.02889320 7.97268795 13 -0.18220749 0.48919454 0.39745903 Ti 2.03471308 16.00838077 10.01674359 22 -0.71854076 0.21897907 0.12265109 Ti -0.01259076 18.02131634 10.03061233 22 0.21733064 -0.18179205 0.28601185 Ti 3.97483213 15.97711536 7.99621485 22 0.52899724 0.58382854 -0.49116231 Ti 5.99751934 17.98296111 7.97640133 22 -0.09216129 0.38498834 0.16009885 Al 6.00549794 16.00214848 10.02523883 13 -0.48661553 0.32815471 0.24806918 Al 4.00183459 18.02342044 9.97100191 13 -0.16340255 0.29230770 0.10063687 Ti 8.00037242 16.00747980 7.97003349 22 -0.26912980 -0.32257661 0.52779315 Al 10.00331781 17.99928264 8.03054493 13 -0.15848196 0.50214123 0.37608321 Al 10.01924414 16.02410533 10.00282476 13 -0.25183165 0.63283122 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13.99377838 13 -0.15001773 0.31588037 1.05933507 Al 7.99915601 14.05067177 13.97473791 13 1.23839639 0.40609537 0.75115271 Ti 12.04887723 12.03532034 12.01157611 22 -0.39686188 -0.30350368 0.03079184 Ti 13.98233496 13.98048444 11.98391482 22 0.35484170 0.17771911 0.50696604 Ti 14.01246070 12.01957862 14.04896729 22 0.37838737 -0.00772960 -0.34269356 Al 11.98998292 14.02130809 13.99732200 13 -1.04439715 -0.41663498 0.80248415 Ti 16.05221578 11.98026765 12.02904713 22 -0.76088129 0.22023544 0.40662185 Al 18.01890845 14.02438903 12.00690036 13 0.79296796 0.14397722 -0.30172810 Ti 18.03649276 11.97718358 13.97667226 22 0.35534033 0.18714127 0.37105102 Ti 16.04415804 14.02615113 14.00037105 22 -0.61171005 0.03615085 0.29753715 Ti 0.03949039 15.99293032 12.02879337 22 -0.53876839 0.44430058 -0.15644598 Ti 1.99087989 18.04430703 12.04024384 22 -0.49569464 0.31808379 -0.40640914 Al 2.02487788 15.98847507 13.97444526 13 0.95520848 0.29709896 1.49063154 Ti -0.02661830 18.03362228 14.04441107 22 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