108 Lattice="11.901417562726134 0.0 0.0 0.0 11.901417562726134 0.0 0.0 0.0 11.901417562726134" Properties=species:S:1:pos:R:3:forces:R:3 energy=-400.3272602044804 stress="-0.007787515441103079 -0.0008954601382897983 0.0011281005993376912 -0.0008954601382897983 -0.007061330273981147 -0.0003875728957464941 0.0011281005993376912 -0.0003875728957464941 -0.005343031901878133" pbc="F F F" Al 0.02479160 0.02509595 0.03893185 0.23727061 0.19830051 0.24916643 Al 1.95013531 1.96511973 0.01685930 0.47293177 0.26664069 0.09200265 Ti 1.96303664 0.00442240 2.01246671 0.57122391 -0.40324276 -0.41479663 Al 0.04274694 1.94908862 1.98169098 -0.13714282 0.73060245 0.19584474 Al 3.97473053 0.02996024 0.00898386 -0.26801432 0.24963817 0.44856375 Ti 5.97597551 1.98528274 0.01363663 -0.29822511 0.23706259 -0.52507405 Al 5.97881573 0.03992438 1.94451005 -0.18697808 -0.13071924 0.58237726 Al 3.98501915 2.02274724 1.98722588 -0.57119480 -0.50210062 -0.20018537 Al 7.93741655 0.03982285 0.02184673 -0.05507464 -0.10133722 0.07536886 Ti 9.89383076 2.01919924 0.04165232 0.30923028 -0.22654405 -0.09063120 Ti 9.92733519 0.03074874 1.99510062 -0.12159938 0.02481037 0.05654882 Ti 7.96021215 1.99452533 2.00661190 -0.44903741 -0.13715816 -0.06796133 Al 0.02296939 3.97497104 0.03804624 0.13007372 -0.22888117 0.14661353 Al 1.95127866 5.92323063 0.01584832 0.56827124 0.17943993 -0.10915948 Al 2.01957520 3.95727024 1.93861212 -0.08221874 -0.41920441 0.17868754 Ti 0.03675253 5.95753892 1.97976997 -0.75406002 -0.23719225 0.20045625 Al 3.96263378 3.99535160 0.02608713 -0.31320111 -0.30278437 -0.08469609 Ti 5.95708523 5.96466517 0.02616575 -0.02877143 -0.12639397 -0.55983062 Ti 5.91819315 3.96997987 2.01605044 0.36289194 -0.09304291 -0.28797511 Al 3.96665808 5.97640348 1.99567759 -0.50282935 -0.01337318 -0.07883715 Al 7.92913902 3.94581522 0.03254159 -0.26521226 0.36489067 -0.77363283 Ti 9.88386477 5.97985686 0.02143487 0.28730071 -0.09755900 -0.33446340 Ti 9.90391191 3.97811458 1.97037270 0.73693110 -0.12985492 0.29490439 Ti 7.91258722 5.94402074 1.99384322 -0.08535357 0.15800493 0.10551038 Al 0.04869665 7.92303389 0.03070359 -0.08708203 -0.10988970 0.00941411 Al 1.95418923 9.88265024 0.00477936 0.35845787 -0.23889748 0.35009617 Ti 1.94754060 7.93277368 1.98326390 0.69329607 0.07231948 -0.26484445 Al 0.00284409 9.93740439 1.99724578 0.13037129 -0.38775169 0.17314998 Al 3.99185604 7.89530833 0.00562833 -0.47974541 0.30263661 0.01061125 Al 5.92617187 9.93409909 0.01274730 0.12330767 -0.50525678 0.46827481 Ti 5.91283822 7.95428053 2.02639483 0.27195516 0.30201023 -0.46531217 Al 3.90744774 9.95255742 1.98674843 0.27008701 -0.15994387 -0.11541358 Ti 7.91837451 7.91461240 0.02075617 -0.25231340 0.52027043 -0.50938197 Al 9.90540299 9.91426698 0.00781794 -0.32512433 -0.55380028 0.38998050 Ti 9.93027459 7.90916387 1.95576323 0.46788945 0.36057540 0.21482420 Al 7.96930457 9.90101042 1.94923600 -0.36817610 0.15490002 0.18226068 Al 0.02170861 0.02772295 3.93936227 0.12661316 0.17987850 0.25332104 Al 1.97621053 1.96908382 3.96397983 -0.48767559 0.54720814 -0.20938508 Al 2.03075876 0.03828842 5.91171360 -0.54429228 -0.18759517 0.04003251 Al 0.01578381 2.01664387 5.95397609 -0.03073525 -0.31705898 -0.26848619 Ti 3.93438925 0.03460098 3.95729619 0.66024679 -0.72455856 -0.39673755 Al 5.95851153 2.00697824 3.97462686 0.54556371 -0.54489411 -0.32840208 Ti 5.98263031 0.00350156 5.97995962 -0.09914189 -0.66956288 -0.26470852 Ti 4.00164704 2.02013500 5.91932514 -0.18747439 -0.03561980 0.19852104 Al 7.90964774 0.02240231 3.93919092 -0.17437495 -0.17290859 0.15770690 Al 9.87834059 1.98100344 3.97988718 0.27112527 0.33130513 0.12125078 Ti 9.87854623 0.02722214 5.96305046 0.11711204 -0.18931308 -0.08557742 Al 7.89982554 1.97474250 5.98893349 0.53368760 0.52877819 -0.36920576 Al 0.03148165 3.95848146 3.99902309 -0.40461385 -0.40145496 -0.54064992 Ti 1.94608598 5.91532337 3.97451406 0.48648020 0.26828351 -0.38157291 Ti 1.99060658 3.99039815 5.91511810 -0.01191423 -0.58725504 0.54749927 Al 0.01107953 5.93735533 5.93224664 -0.28261079 0.44747769 0.32857570 Ti 3.96098134 3.96576099 3.95988451 -0.15253561 0.24504728 -0.09913599 Al 5.99379483 5.93538232 3.97791012 -0.17311543 0.62212819 -0.20493940 Ti 5.99930171 4.00715178 5.93518417 -0.11810626 -0.32381082 0.46288272 Ti 3.94088615 5.91125958 5.98634609 0.32038082 0.27217647 -0.36102600 Al 7.94265964 3.93914131 3.97790457 -0.09669768 -0.27061327 0.08603221 Ti 9.89964745 5.93403612 3.93501664 0.65278252 0.13728705 0.16544559 Ti 9.94243931 4.00142788 5.96451272 0.33170764 -0.50861333 0.13993320 Ti 7.98280046 5.94379040 5.98416595 -0.28206166 0.17386455 -0.18105794 Ti 0.03391261 7.93136232 3.98660270 -0.82146704 0.16940777 -0.17690316 Ti 1.97763624 9.90614019 3.93153329 -0.06652480 0.67678421 0.04789283 Al 2.01424088 7.96726346 5.91764159 -0.25775072 -0.87069384 0.38767761 Ti 0.03917383 9.92920336 6.00712561 -0.18096807 0.02305483 -0.17318745 Al 3.95285893 7.86991207 3.98462651 -0.21766418 0.31539907 -0.19947078 Ti 5.98823938 9.90923453 3.93994498 -0.49909701 0.59304308 -0.14517795 Ti 5.93551989 7.90912229 5.95912191 0.17254433 0.11913904 -0.16735936 Ti 3.93837429 9.94467154 5.94973031 0.33609433 0.62602161 -0.43404977 Al 7.95958899 7.96394381 3.96304391 -0.27698915 -0.43045424 -0.27272405 Ti 9.90178129 9.93679152 3.95770307 0.24284740 0.04232005 0.08923683 Ti 9.93557450 7.91732180 5.96286761 0.37992976 0.30872219 0.23034179 Ti 7.90233388 9.92500701 5.94669433 0.38414737 0.37730450 0.42924460 Ti 0.02576144 0.01579591 7.91158819 0.04095047 -0.00668645 -0.12983791 Ti 2.00721202 1.94901446 7.92572301 -0.25314445 0.70423582 -0.33975507 Ti 1.98984018 0.01930342 9.91445736 -0.03094764 -0.20936713 0.04912273 Ti 0.03720387 2.02807558 9.89498383 -0.14079187 -0.01738396 0.01563412 Ti 3.96214469 0.02393520 7.91484311 0.23625957 -0.77060863 0.15668307 Ti 5.96094396 1.97708967 7.93631199 0.19945136 0.21203424 0.12167584 Ti 6.01242253 0.04892142 9.94458838 -0.33374562 -0.17581342 -0.02461476 Ti 3.93347940 1.99032952 9.91428212 0.19782984 0.01222204 0.76235417 Al 7.97136778 0.03336025 7.96237922 -0.23999942 -0.16275018 -0.09385988 Al 9.88974762 1.99823697 7.91314202 -0.10860488 0.22445520 0.17020352 Ti 9.91358939 0.03073209 9.93462918 -0.25446371 0.50947091 -0.29340189 Al 7.91343058 2.01758081 9.92009691 0.38746923 0.28488505 0.09684328 Ti 0.00750275 3.96114146 7.89975377 -0.30832752 0.32285540 0.18257297 Al 1.97224343 5.98064601 7.88887488 -0.42557618 0.20191848 0.28796831 Ti 1.95019970 4.03272830 9.95435983 0.36519602 -0.30230613 0.15627131 Al 0.02327247 5.93959971 9.94720435 0.04698168 0.34549843 -0.33330582 Al 3.97445139 3.96031104 7.95037286 -0.45883679 0.16720827 -0.27684939 Al 5.96903495 5.96096736 7.91542843 0.33208640 0.03133114 0.75430087 Ti 5.92450078 3.96140470 9.90288805 0.47628661 0.21384441 0.64510056 Ti 3.96422230 5.95998616 9.89104731 -0.13369111 0.31927302 0.49653277 Al 7.95676015 3.97335239 7.97466999 0.11066405 -0.17906369 0.03777275 Al 9.89664890 5.95717353 7.94402228 0.25419118 0.15875358 0.43317220 Al 9.90374080 3.95850790 9.90282049 -0.24881225 -0.21559514 -0.34154335 Al 7.97383691 5.91845240 9.91258108 -0.30769104 0.25588897 -0.18853534 Al 0.03056190 7.90485936 7.95353927 0.12527032 -0.23189406 -0.29117861 Ti 2.01167493 9.92652521 7.92098770 -0.33794446 0.40138216 0.40553160 Ti 1.98937617 7.96821216 9.95723662 -0.19333528 -0.50728473 0.15349916 Ti 0.01672825 9.91033451 9.92194521 0.48716012 -0.36286734 -0.45360805 Ti 3.94259609 7.96379845 7.90354519 0.21135053 -0.30090379 0.54082421 Ti 5.91120479 9.94763004 7.90245561 0.46887167 0.21184796 0.78329125 Al 5.95292685 7.89550528 9.92037334 0.21306274 0.12068789 -0.29394233 Al 3.93547879 9.88483430 9.93244361 0.26314486 -0.03602535 -0.20947700 Al 7.90690077 7.92425472 7.95019102 0.19046751 0.13394499 0.53225236 Al 9.93201988 9.95132082 7.90201627 -0.59350081 -0.48429212 -0.25476154 Al 9.95453537 7.93790406 9.90774252 -0.44565005 -0.21744730 -0.49511077 Al 7.94240535 9.91151178 9.95749171 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