500 Lattice="20.016929721614424 0.0 0.0 0.0 20.016929721614424 0.0 0.0 0.0 20.016929721614424" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2005.5536971835538 stress="-8.767454196210036 -0.6439866243849934 -1.703996725927901 -0.6439866243849934 -13.299797959016345 0.2230906760448761 -1.703996725927901 0.2230906760448761 -14.575187020431981" pbc="F F F" Ti 0.01867946 -0.01757180 -0.02658426 0.64711855 0.63169797 0.65763814 Ti 2.03585202 2.02046313 0.02260471 -0.39216929 -0.02572240 -0.13700753 Ti 1.98131310 0.03063335 2.02493986 -0.13993414 -0.22357807 0.20701149 Al -0.00395556 2.02983307 1.99950884 0.33897275 0.14600251 0.13491750 Ti 3.94056516 0.00104810 0.01794689 0.23837620 0.13964864 0.24962836 Al 5.98600154 1.96987949 0.01255113 0.14599202 0.19557203 0.24189213 Al 6.00982087 -0.03548954 1.99576919 -0.07648293 0.20674010 0.08824066 Ti 4.04301976 2.01111108 2.04580939 -0.12677306 -0.23197169 -0.07603640 Al 8.02717429 -0.02016288 0.03684175 0.00729269 0.47039053 0.27589021 Ti 10.03179712 1.93923616 -0.00993052 -0.45157186 0.34425323 -0.09115782 Al 9.97896479 0.01799866 2.03096812 0.00394722 0.18905875 0.30893764 Al 7.98937525 2.01478107 1.98516038 0.21173931 -0.28338847 0.05622907 Ti 11.96000350 -0.00092872 0.02199305 0.23627242 -0.23823424 0.14282147 Ti 13.97237560 1.97254448 -0.01523129 0.54221455 0.17669248 -0.14482210 Ti 14.04964929 -0.01868914 2.00059559 -0.14907376 -0.24248866 -0.13005710 Ti 12.00615440 1.98820475 1.99990604 -0.15878558 0.22963427 0.24040455 Al 16.01960478 -0.01611337 0.00088689 -0.26441404 0.49219650 0.54016726 Al 18.01051938 1.98069350 -0.00274862 -0.53838518 0.31457290 0.70328849 Ti 18.00790831 -0.02493369 2.01534288 -0.33186897 0.38942211 -0.09519631 Al 15.98235922 1.99882691 2.03720701 0.18127011 0.35822195 -0.34924919 Al 0.02453817 4.02813660 -0.01425776 0.38966644 -0.29565435 0.15055348 Ti 2.02881327 6.04262376 -0.00715461 -0.34085284 -0.36619320 -0.35823618 Ti 2.02912167 4.02412784 1.98772016 -0.35027345 -0.46531463 0.19274742 Ti -0.01850323 5.95574336 1.97112378 -0.12287423 0.40190937 0.11862656 Al 3.99424392 4.00184825 0.01086541 0.31586723 -0.09600641 -0.07897939 Ti 5.97726961 5.99566095 0.03469371 0.21242479 -0.22681053 -0.59635420 Al 6.03363351 3.97127521 1.99377404 -0.16403732 0.21823933 -0.07643970 Al 3.98977549 6.00520092 2.00755636 0.14292106 -0.40023518 0.38977148 Ti 8.04188092 3.98003596 -0.03046484 -0.24754758 -0.13682527 -0.27664487 Ti 10.04821212 6.01013899 0.00639103 -0.41018266 0.03449463 -0.36470237 Ti 9.96917554 4.03427329 2.03008333 0.15552135 -0.40314625 -0.14197395 Ti 7.97769297 6.03475682 1.99182479 0.07697386 -0.42830920 0.03415499 Ti 11.99409286 4.02753114 -0.01219925 0.15076080 -0.28128739 -0.11464303 Ti 13.98451210 6.02822140 0.01441702 0.44833096 -0.05618146 -0.29161741 Al 14.02621145 3.99613879 2.01964958 0.28060590 -0.02669847 -0.30410056 Al 12.03462429 6.02448527 2.03455295 -0.33614118 -0.28221038 -0.14881963 Al 16.00892235 4.00840810 0.05408891 -0.28600811 -0.12200245 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1.96259677 0.51917296 -0.19687139 0.52263939 Ti 15.97620557 13.97390891 2.03383127 0.59459716 0.70771460 -0.26168370 Ti 0.06057502 15.97580504 0.03024208 -0.12663231 0.20326617 0.18853528 Ti 1.97658763 18.01573897 0.03291327 0.47736570 -0.28269310 0.26438258 Ti 2.01049302 15.99863829 2.03496089 -0.19224264 0.26432286 -0.04693881 Al -0.00074373 18.05490093 1.98806920 0.47281225 -0.84421099 0.42544549 Al 4.01140545 15.99554027 0.05279433 -0.20926139 0.16376844 -0.16065666 Al 6.00957919 18.02416096 -0.02576638 -0.01366479 -0.43942208 0.67021003 Al 5.94810053 16.01578806 1.98333426 0.18880175 -0.27766076 0.15718468 Ti 4.00331849 18.01484226 2.01895165 -0.10125958 0.39126302 -0.09652544 Ti 7.97598608 16.00933863 -0.01837398 0.11251491 0.18084504 0.01170546 Al 9.98147188 18.04719557 0.01706768 0.06724968 -0.59709719 0.18780697 Al 10.04674555 16.04752116 1.96695486 -0.29024287 -0.14831731 0.47244674 Ti 8.03862550 18.00300763 2.03793744 -0.35336801 0.30548855 -0.52156100 Ti 12.01457735 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Al 14.02893357 4.00215723 6.06710548 0.44551542 -0.16632039 -0.31243044 Ti 12.04893169 6.00432387 5.97720582 -0.49337776 0.10303659 0.19998505 Al 16.05134374 3.97715812 4.03144694 -0.40437078 0.06935976 -0.24989338 Ti 18.03078407 5.99314220 3.96463233 0.17951272 0.15308102 0.24191266 Ti 18.05455782 3.97230049 6.04349903 0.40365151 0.31570851 -0.56148267 Al 16.03086071 6.01169824 6.03534271 -0.37924130 -0.22646393 -0.25804740 Al 0.00856255 8.02679402 3.94705148 0.22927855 0.08682137 0.11495454 Al 1.98628961 10.02894817 4.02463583 0.13282853 -0.79154157 -0.37928080 Al 2.03613586 8.01939868 6.04178704 -0.25993632 -0.18423251 -0.70612439 Al -0.01903673 10.04423063 6.01771732 -0.21129996 -0.62417615 -0.14527083 Al 4.02155553 8.00511131 4.04482476 -0.40471677 0.34128758 -0.10148282 Al 6.04099060 10.02692124 3.98378702 -0.14281738 -0.37450664 0.26744252 Al 6.04257294 8.04004431 5.96545163 -0.18866148 -0.11551178 0.19521064 Al 3.97096456 9.98848972 6.01941683 0.47029791 -0.15856954 -0.35373399 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