500 Lattice="20.025750142427796 0.0 0.0 0.0 20.025750142427796 0.0 0.0 0.0 20.025750142427796" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2009.5453298530533 stress="-18.935687325082192 0.45644470752687916 -4.933362945272613 0.45644470752687916 -18.24507532733265 -3.4131554025745103 -4.933362945272613 -3.4131554025745103 -14.945950433610097" pbc="F F F" Al -0.01187479 0.00986505 0.03030010 0.59840353 0.56211760 0.53115114 Ti 2.00180905 2.02652381 0.02895490 0.15819046 -0.27505286 -0.24531900 Al 2.05599217 -0.03291585 1.99915912 -0.17449696 0.37399755 0.09327473 Ti 0.00129643 2.00780165 1.97593102 -0.07084640 -0.13836049 0.26568242 Al 4.00775268 -0.00116327 0.03867646 -0.09571084 0.45278655 0.32609580 Al 5.99689060 1.99495979 -0.02674953 -0.21694482 0.05881781 0.19448251 Ti 5.97915792 0.00544066 2.01078254 0.11943884 -0.11945158 -0.23328501 Al 3.99472590 2.03869913 2.02793772 -0.22494020 -0.26299736 -0.30965175 Ti 7.99693577 0.00260997 -0.01821071 0.10200862 0.28799141 0.42587454 Al 10.03867046 2.02350209 -0.00575033 0.01068015 -0.00488728 -0.12569355 Ti 10.04794277 0.03203726 2.01888927 -0.52571335 -0.37279677 -0.53399006 Ti 8.03275493 2.02955828 1.97620458 -0.50661404 -0.48714738 0.16873409 Ti 12.00206159 -0.03082981 -0.00559458 0.16484455 0.26368620 0.25522495 Al 14.06965487 1.99357288 0.01334049 -0.21316724 0.23107584 0.07585842 Ti 14.04627862 -0.00718998 1.98260236 -0.22024816 -0.13287323 0.06826893 Al 12.00617109 2.03017776 1.96588895 0.45012534 -0.05448819 0.14331219 Al 16.03951928 0.03583457 0.02823847 -0.19718012 0.33355677 0.48581092 Al 17.98354026 1.96622392 0.00506962 -0.35924122 0.47561352 0.35360592 Ti 18.03349136 0.03766671 2.02471342 -0.44036946 0.18722433 0.19090520 Ti 16.00956414 2.02926920 2.04058257 0.34650682 -0.28911746 -0.44856933 Al 0.03164984 4.04080332 -0.01818486 0.20375061 -0.10929977 0.36470903 Al 1.96960095 6.01757204 0.01510968 0.40883206 -0.12150498 0.19559357 Al 1.97154533 3.98339867 2.00334325 0.45522741 0.33625763 0.04138827 Ti 0.01149802 6.00865937 2.00638881 -0.43675678 -0.08757000 0.05769963 Al 4.03277488 4.02025930 -0.03667990 -0.39162114 -0.06571230 0.34839367 Al 6.01099878 5.99818465 0.04962959 -0.07998699 0.13124428 -0.37679533 Ti 5.98421755 4.00210723 1.96338143 0.21181912 -0.29292423 0.16960534 Al 4.04279001 6.02700220 2.01187136 -0.86772930 -0.10888966 -0.85487081 Al 7.99741931 3.96932434 0.00523837 0.04780946 0.08015116 -0.25731632 Ti 9.98921473 6.02317613 -0.00039956 0.30842889 -0.27547328 -0.19446663 Ti 9.99813217 3.96679104 2.00443095 0.28262295 0.63706382 -0.27804971 Ti 8.00538912 6.03186564 1.98833364 -0.20660031 -0.27514164 0.14047939 Al 12.04404527 4.00909709 -0.01682130 -0.14493858 -0.19318015 0.28598547 Ti 14.00300732 6.01336816 -0.00114976 0.11360452 0.17871445 -0.33114755 Ti 14.04418715 4.04514498 1.99476408 -0.39717912 -0.53426141 -0.16086992 Al 12.04400379 6.00557636 2.03741671 -0.28237670 0.37542114 -0.29123573 Ti 16.04248287 4.03123194 -0.00043481 -0.16997821 -0.48512391 -0.35620533 Ti 17.96466414 6.00278720 0.00528648 0.04145987 0.27538017 0.05545551 Al 18.03823637 4.01512836 1.97516209 -0.11659912 -0.45578380 0.24394725 Ti 15.99616481 6.01285577 2.00547859 0.28397244 0.11971630 -0.21303250 Ti -0.00208554 8.04425103 -0.02526039 0.25305760 -0.18005935 0.26795099 Al 2.01782235 10.04636350 0.01338699 -0.21316470 -0.16582039 -0.15248518 Al 1.97195559 7.97328151 2.03401453 0.29110327 0.21777035 -0.23051835 Ti -0.00939630 9.99374425 1.98674992 -0.17592318 0.15492349 0.22635610 Al 3.98069741 8.03135086 0.06360262 -0.32832627 -0.37805596 -0.38356445 Al 6.06195490 9.97864416 0.01767434 -0.12931827 0.32337050 -0.28528820 Ti 5.98866612 8.04181925 1.95954505 0.42507843 -0.40679006 0.46364230 Ti 3.96575253 9.97327561 1.96309975 0.17802774 0.42851783 0.36930115 Al 7.97494437 7.99174644 -0.00874453 0.23158366 0.39119007 -0.11885640 Ti 10.04917317 10.04061670 0.01451663 -0.31787434 -0.32307299 -0.32316763 Al 9.97373182 8.00385709 1.99066024 0.21701621 0.19461350 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