500 Lattice="19.38729841191619 0.0 0.0 0.0 19.38729841191619 0.0 0.0 0.0 19.38729841191619" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2796.1743956064547 stress="3385.7099826041863 223.71246714117683 -522.1168203729559 223.71246714117683 2094.9826684835084 -110.14972833969887 -522.1168203729559 -110.14972833969887 2589.6705840605273" pbc="F F F" Nb 0.01608877 -0.01539753 0.01630870 0.90917029 1.12245449 1.49555338 Ti 1.93803319 1.96003059 -0.03525661 0.84934226 0.64255881 0.68321805 Al 1.88559059 -0.02749037 1.93195346 -0.32317276 -0.52746516 -0.02930117 Al 0.00502758 2.00729127 1.92380164 -0.73175624 -0.68792291 0.23847786 Ti 3.87303083 0.01308705 0.03305336 -0.00969866 0.14467577 -0.10133186 Ti 5.82060282 1.93945394 -0.00265669 0.18714975 0.53526349 0.78170274 Ti 5.81325363 0.05563745 1.96936511 1.15465969 -0.09508687 -0.54082333 Ti 3.85866834 1.91194772 1.89825328 -0.54066296 2.04389489 -0.99333218 Al 7.73513844 -0.00979717 0.00951871 0.35810900 0.03055611 0.34577037 Ti 9.67556178 1.98222523 0.04384072 -1.24104909 -0.61330775 -2.90241280 Nb 9.67469012 0.03821073 1.86804020 0.73328382 -1.80344217 -1.39995714 Al 7.72434158 1.95385621 1.97398331 -54.06804885 27.93010055 27.27994884 Al 11.62978059 0.03533912 0.04569029 -0.01762025 0.32291814 0.92875539 Al 13.53980050 1.98750141 0.01424514 24.33275238 23.31190065 46.72798341 Nb 13.57264966 0.00142697 1.97454217 -0.57907775 0.76775691 0.19004950 Nb 11.68646005 1.88443562 1.98334653 4.92647998 -1.54734666 -5.70450723 Al 15.51531220 0.03738714 -0.03482734 -1.16998048 -0.23383073 -0.24875333 Al 17.39209789 1.97024021 -0.02146942 -0.23124313 -0.09196230 0.47413680 Al 17.44672165 -0.00240280 1.90265319 -1.07921647 0.85083979 0.83876008 Nb 15.53992726 1.97349387 1.91120068 -1.50554148 -1.68292408 0.22150266 Al -0.00923440 3.82579018 0.02525098 0.44860423 0.62208952 0.24666110 Nb 1.95374862 5.79449907 0.00978831 -3.65176423 1.31839337 -1.48758673 Ti 1.97040355 3.87719427 1.98945267 0.07433642 -1.88478502 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1.05861780 -0.39449700 Al 5.83425367 13.59378298 -0.02331968 -0.40248210 0.19456334 -0.50448066 Ti 5.81381537 11.65434545 1.92594161 0.64929462 0.11538682 0.65660438 Al 3.89269319 13.58192537 1.96404704 -0.52309757 0.12036321 -0.46184081 Ti 7.74005155 11.64787539 -0.00248200 -2.49696242 -0.95337845 -2.00017547 Ti 9.68702500 13.55964445 0.06236546 1.03374774 1.30668930 -3.27249407 Nb 9.67233233 11.61350002 1.92307578 0.22677555 -0.77611940 3.36176423 Nb 7.75233493 13.57370343 1.97156078 54.15234437 28.14313818 -24.99083639 Ti 11.62172763 11.60675896 0.00715746 -0.46222718 2.01001264 -2.79623385 Ti 13.58515025 13.52236626 -0.02085030 -1.56747910 1.39393538 -0.78894476 Nb 13.58814411 11.61145116 1.91659955 0.39740433 -1.18147903 1.63757536 Al 11.60646075 13.57678379 1.95622140 50.93457923 25.66583973 24.80227618 Nb 15.51529935 11.60764967 0.05652604 1.45411292 -3.47397740 -1.28683701 Nb 17.48293869 13.57159949 0.01194107 -0.30106125 1.02978451 0.66662072 Nb 17.46954253 11.67597712 1.97136878 2.10730967 -1.39397450 -1.32402602 Ti 15.55685605 13.55420588 1.91534453 -2.42587755 0.86461629 0.96436552 Nb 0.00832163 15.51899599 -0.00431817 0.04233227 -2.54306575 0.15372623 Ti 1.92732490 17.47084698 0.00334010 1.06860743 0.19695600 0.94176134 Al 1.96780984 15.50395873 1.90731719 -0.51187574 -0.70336663 0.26065997 Ti -0.00343655 17.46486191 1.92777186 0.46191955 -0.04338851 1.04085635 Al 3.86866508 15.50544996 0.05929995 0.21894991 -0.48912107 -0.69034266 Al 5.80610239 17.39474042 0.00194372 -0.15916900 -0.16543794 0.37459102 Nb 5.86843335 15.51776315 1.90619797 0.04369787 -0.07622046 -0.23172347 Ti 3.85728912 17.39427296 1.95228809 -1.50886861 2.86340670 -0.93993804 Ti 7.78015151 15.54286117 -0.01676559 1.53620159 0.65288764 -2.49535743 Ti 9.68378936 17.44294402 0.00019554 -0.44244726 -0.44971769 0.51172225 Ti 9.66042603 15.50668223 1.91205464 1.92560166 0.70919431 -0.76024071 Al 7.74316839 17.44607453 1.95778593 -0.30278047 0.58053880 0.35736553 Al 11.60983875 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9.69776886 -52.45745696 -24.96311742 -27.82197203 Ti 15.50303768 9.66662273 9.67715912 -2.19647519 1.44025646 -1.36796934 Ti 0.00300453 11.61146700 7.77562912 -0.72309681 -0.58987470 0.44442035 Ti 1.89872866 13.57311978 7.80545984 1.73636190 1.79547610 0.48842907 Al 1.93272720 11.61203245 9.69245246 29.21277105 57.59194234 29.06727130 Al -0.00184962 13.59006970 9.71009455 -1.43761053 0.17882396 0.12705840 Nb 3.82380162 11.64244765 7.75770724 0.48209077 -2.42085534 1.48098455 Ti 5.81591935 13.57351895 7.73549681 -2.20670645 1.97823066 0.81014349 Al 5.82826341 11.67181935 9.64039420 -0.39781464 -0.52709520 -0.07755577 Al 3.89757567 13.62165726 9.69766745 15.78699853 -31.91406831 15.81849990 Nb 7.71240164 11.63263608 7.71733039 0.50100229 2.69111045 -2.29903691 Nb 9.70167191 13.58799735 7.74880092 25.80675215 -31.37974526 58.57882307 Al 9.67978339 11.65206383 9.69937851 0.43872751 0.13672390 -0.35756076 Ti 7.73260166 13.63509085 9.72530029 -1.92957190 -4.81188118 1.89537601 Ti 11.67815816 11.61665905 7.73650581 -0.89036748 0.03823238 1.25252979 Ti 13.58687164 13.52730584 7.75557237 -0.74080423 -0.32519480 -3.65096888 Nb 13.53868477 11.63730477 9.70359979 -2.67904545 2.89402332 4.00238182 Nb 11.58289433 13.57981910 9.70215256 -0.32322566 -2.44192118 2.54728300 Ti 15.58538637 11.58833287 7.72777703 -1.13293844 0.06503856 0.24189928 Al 17.45632446 13.53445251 7.75837710 -9.47097029 -9.24155642 20.09063768 Nb 17.39700582 11.65750135 9.63397250 1.53412240 1.63937472 2.44553813 Nb 15.48129132 13.58981767 9.67073697 29.21335721 -58.84275070 -27.37431347 Ti -0.01697239 15.51107819 7.74985223 0.28349050 -0.87308698 0.55084572 Al 1.91069916 17.47534499 7.74690213 -0.39735649 0.85475975 0.25971133 Ti 1.93556654 15.50982496 9.73951818 -1.95833252 -1.90593589 -2.07395418 Nb 0.03833662 17.46669901 9.68579755 25.90640060 -25.22317527 -55.13768588 Ti 3.92662172 15.55745665 7.75173597 -2.54399933 -2.10424086 -3.28237852 Al 5.87121945 17.46619020 7.72560049 0.18652148 0.66669900 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2.84532055 3.24671322 0.34171228 Al 0.00912494 -0.01272676 11.62222286 -0.18786983 0.61076847 0.10640896 Nb 1.93245133 1.90311870 11.61716408 -2.30551822 -1.04894472 -0.60669975 Ti 1.91390596 0.02217105 13.59786919 0.38115373 -1.99870921 0.64299234 Nb 0.01267361 1.96654864 13.59513285 -1.67247824 0.06215123 -0.40337476 Al 3.87218029 -0.03363231 11.69202048 0.48214890 -0.65899253 -0.12691917 Al 5.81048633 1.91293096 11.66024544 1.07630190 -0.24670858 0.04697078 Nb 5.82217751 -0.03437620 13.57552225 -0.61395544 -1.89484812 -0.47693810 Ti 3.87248861 1.93339379 13.60548527 -0.54131889 2.30384447 -3.29069479 Al 7.72821784 0.01966514 11.66185217 -0.09736453 -0.81322389 -0.22508574 Nb 9.71540685 1.92743370 11.63665076 -1.87330905 4.14474589 -3.19273245 Ti 9.69276434 -0.00635287 13.57434793 0.46514133 -2.08028164 -2.83283722 Ti 7.69607862 1.95572582 13.57918736 -0.87447343 2.52299482 -1.71051331 Ti 11.62616492 -0.00727523 11.60463921 0.07510452 -1.86091041 1.15854002 Al 13.55171623 1.96589472 11.67104548 3.40489016 -2.94770374 6.04454940 Nb 13.60571164 0.01521965 13.56972330 3.55986526 -0.47895503 0.78844141 Ti 11.58313751 1.92401597 13.55704098 1.60074435 -1.12711914 0.62253061 Nb 15.53961743 -0.02198405 11.61736802 -1.28686128 -1.24852015 3.67066399 Ti 17.47975304 1.98223256 11.65825547 3.39931631 -0.89325187 -1.42639982 Al 17.45935336 -0.00641091 13.59532263 -0.73657441 0.03298429 -0.63529244 Nb 15.56157581 1.90870771 13.53586813 -2.54176669 0.39775705 0.27672481 Ti 0.02515577 3.86097372 11.69071665 -2.49810048 2.96362129 1.17535335 Ti 1.87353466 5.79476657 11.59080235 0.99616024 0.93214311 4.61518675 Ti 1.93604845 3.92482796 13.53625896 1.58536626 1.25044485 -1.30033604 Ti 0.00363852 5.80180673 13.54255384 0.43146847 -0.16265313 -0.69956200 Ti 3.87891225 3.85862863 11.58619972 1.36698589 -0.68573094 2.90283336 Nb 5.80638206 5.80469331 11.66083960 0.45708256 2.89226081 0.68193125 Ti 5.76288517 3.86258728 13.52187450 1.14177571 -2.76065520 -2.40041646 Al 3.86132818 5.79261831 13.56595165 -18.55044215 20.52337262 -37.81384398 Al 7.73511658 3.88826236 11.65060634 0.71324806 0.39442082 -0.46478021 Al 9.69822096 5.82749100 11.59457892 -0.38875824 -0.08176902 0.37510687 Nb 9.73258138 3.84048769 13.52878166 -1.89392499 1.39259814 0.12276845 Nb 7.75259518 5.83213714 13.62213583 16.19270292 17.53948524 -33.12903888 Nb 11.64835430 3.90153356 11.62304642 -0.82572247 -1.38871341 -1.85773845 Al 13.52763091 5.81186724 11.59485200 -1.21561660 -0.20616410 1.54853688 Nb 13.53103846 3.86287747 13.58215556 9.46420748 -11.67557065 4.27506066 Ti 11.64623251 5.82516759 13.60161485 0.79328833 1.92721477 -0.78594972 Nb 15.49918005 3.81329215 11.67509252 -1.78924827 0.55711816 2.44076517 Ti 17.41697104 5.84649138 11.58320872 2.18302598 -1.77425489 1.37387963 Al 17.48467184 3.83733045 13.59962520 0.21913868 0.66646076 -0.31783860 Al 15.52108398 5.79780758 13.57315619 -0.37813040 -0.65323006 -0.53440820 Al -0.01548700 7.74401800 11.65830307 -0.85996469 0.66765608 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11.63507747 -0.81779801 2.96495515 -2.38991373 Al 9.68570705 13.60479841 11.62194482 0.41999941 56.56934757 -56.14472537 Al 9.65521051 11.60107402 13.51043158 0.33560161 -0.18964195 0.77292409 Al 7.75865175 13.54931208 13.55131586 -15.81466225 12.36425674 -29.40514408 Al 11.61699073 11.61106466 11.61991481 -28.92853452 30.30771432 -58.52299585 Al 13.59957964 13.54631166 11.68185884 -3.91408559 -7.25027890 -4.16272012 Nb 13.56762934 11.67339144 13.54181521 3.05831302 2.53765221 -3.07742775 Ti 11.59830700 13.51559851 13.58828791 0.20843647 0.05176077 -4.71531327 Nb 15.49152741 11.61528561 11.63285713 9.41576130 12.89493366 -21.74004505 Al 17.47965974 13.54340976 11.64757867 0.27110184 -0.09652900 -0.25288109 Ti 17.39349444 11.59833693 13.60244766 0.78079421 1.08197983 1.99124892 Ti 15.46791017 13.58307069 13.57900565 3.12013699 2.11835786 -1.01096926 Ti -0.00909705 15.56282696 11.68598041 -0.23518021 -1.84013193 -0.15903383 Ti 1.90037093 17.42128461 11.60930355 0.83235514 1.69282695 1.50215760 Al 1.93217482 15.49599225 13.56470410 22.61776078 -21.67970371 45.51407759 Nb 0.03158340 17.44272991 13.53597766 -0.30518411 1.62680335 1.18273487 Nb 3.85223035 15.50603609 11.61992107 -25.68168956 -62.04329385 -28.83645556 Ti 5.77199407 17.38442330 11.58847163 1.93643750 4.21223481 2.43035293 Al 5.84460324 15.50742412 13.55901026 0.54926016 -0.96700886 -0.14298609 Ti 3.92621341 17.39530250 13.57112218 0.61421041 2.75958914 -1.17542624 Nb 7.73847649 15.50672555 11.61245113 -39.31152710 -34.93372587 28.13495353 Nb 9.75102368 17.48198043 11.65347233 -2.28794394 1.02387560 1.16864000 Nb 9.67999092 15.54457692 13.54393352 -38.30966182 -18.13310073 -16.63980658 Al 7.72261364 17.45637547 13.51686634 0.64130519 0.58432804 0.15434432 Ti 11.63314987 15.48429270 11.65703300 2.43231370 -1.84559415 2.31235486 Nb 13.62903547 17.40389485 11.63426852 0.91608993 2.27663772 1.42408437 Al 13.56532075 15.51813213 13.58475359 -0.13690090 -0.33467461 0.15948615 Ti 11.61013736 17.44947496 13.58518521 2.14071084 1.97981420 -0.64334501 Ti 15.48393061 15.56218059 11.60066473 1.45336027 -3.79541131 1.34554653 Nb 17.44381389 17.47662694 11.56670274 0.87932754 0.00784606 1.79668771 Al 17.45454078 15.49783779 13.60648158 0.53835416 0.53182852 -0.84213650 Nb 15.53449815 17.46719359 13.54116372 3.27824444 7.65761783 2.47844318 Ti 0.00204437 0.01777821 15.48813051 0.57926278 -0.68387319 1.12800082 Al 1.93027537 1.99768917 15.53628316 0.78077356 0.11596185 -0.54093133 Ti 1.92485006 0.00890158 17.39922432 -1.78135052 -0.55593719 0.30552908 Ti 0.02488535 1.91165105 17.45958792 0.34066694 -0.47686595 -0.04052590 Nb 3.89642750 0.02765500 15.49058452 3.04471061 -0.02480639 1.16762461 Nb 5.82408207 1.88021287 15.48969356 -2.02696855 -0.54627023 2.61863215 Al 5.84692583 0.01780619 17.42212237 -0.49286603 -0.06031154 -0.63476404 Nb 3.87817543 1.89352421 17.47336537 0.76394999 1.41233149 -1.35896329 Nb 7.80262032 0.03094960 15.43931472 -1.18454523 -2.20348925 1.17688967 Nb 9.65691912 1.98358671 15.48663696 1.47385397 2.02033414 2.59471707 Al 9.69456644 0.05905606 17.45538128 0.20532296 0.03501382 -0.99311105 Ti 7.75977852 1.93076165 17.43755373 -0.25469697 0.96835736 2.76351637 Nb 11.65771257 0.00196109 15.50806734 0.43488118 -0.69907076 2.97724661 Al 13.55464221 1.92557091 15.51580325 0.09672680 -0.17142294 0.02569798 Al 13.54812355 0.03084919 17.47045045 0.27015209 0.28043219 -0.67681776 Al 11.65998264 1.89232942 17.43560261 -0.15118908 0.17504133 -0.11892452 Al 15.55213366 0.03490296 15.53553250 -6.63578224 9.59814416 -5.70200776 Ti 17.46583953 1.91207386 15.47183399 2.02999722 0.03770986 0.28322486 Ti 17.46320457 -0.00650012 17.44539470 0.43068060 0.13563704 -0.73001057 Nb 15.54586902 1.94005349 17.46541133 -3.49686194 0.52276264 0.30358673 Al 0.04370532 3.86977615 15.51562943 -0.98612991 0.07157901 -0.03814003 Al 1.96644926 5.74723519 15.50318257 -0.20898573 0.51370322 0.05191290 Al 1.93867235 3.88429046 17.39023721 0.12204202 -0.37323743 1.00908746 Ti 0.00390605 5.88710855 17.46879386 0.40298958 0.01523587 -0.91230199 Nb 3.85783097 3.90573338 15.48301767 -1.24638432 -0.87128663 2.80216589 Nb 5.85478855 5.78968169 15.53286114 -57.85732954 27.87861511 27.08727304 Al 5.87609427 3.86446084 17.40403190 -1.35869188 -0.09130111 0.67737179 Ti 3.83842721 5.79953233 17.45969869 0.36932104 1.51238911 2.06503388 Al 7.71887949 3.82417967 15.56126218 0.04712220 0.43394586 -1.07562686 Nb 9.63046594 5.82053253 15.48138856 -2.10830567 -2.04471371 0.23899251 Al 9.62977625 3.83955653 17.45116264 1.23736313 0.31225957 0.21878255 Ti 7.76464738 5.79899378 17.46711247 -0.39597717 0.50402376 1.39004993 Al 11.66027860 3.92335465 15.50259566 -3.52864396 -6.56569284 -2.32450999 Ti 13.62002945 5.81176662 15.52109495 0.20864675 -1.14160046 -0.83214821 Al 13.57230520 3.84664682 17.44379015 0.16861014 0.21034727 0.42043991 Nb 11.57746331 5.83614077 17.44151900 -0.65135863 -1.23263347 2.21033096 Al 15.48291655 3.81667480 15.49012476 0.10694179 -0.11494990 -0.27299540 Ti 17.48390945 5.80162557 15.48926651 -1.72812174 -0.08849370 0.26284092 Ti 17.44265580 3.92106967 17.45505972 0.68830153 0.54201867 -0.73471727 Al 15.49158861 5.84701096 17.48265505 -0.25467896 0.02786318 0.79945809 Ti 0.01127240 7.73434997 15.47235683 -1.45752332 -2.13390974 1.53998920 Nb 1.90410788 9.68754214 15.44694236 -0.14336696 -2.26106500 -2.13123874 Al 1.95932528 7.72846940 17.43775991 58.56349087 -28.30686216 -27.48353681 Ti -0.00790916 9.64574705 17.40526636 -0.78987429 0.53827203 0.90154347 Ti 3.81528795 7.74293865 15.49840886 0.38353276 -1.64063130 -0.02888123 Ti 5.78120154 9.64148192 15.56144697 1.72323636 1.45547223 0.66178333 Al 5.78908397 7.80266828 17.46548807 56.05780992 27.02337454 -28.54437477 Nb 3.86930420 9.73879633 17.42780357 -0.36565461 -1.32109370 3.14320224 Al 7.78854821 7.73599942 15.48973829 0.10990136 -0.14022497 -0.41481227 Nb 9.64082799 9.71715054 15.45065298 -115.21029220 -0.55359763 58.34562789 Al 9.69233185 7.77714882 17.46072500 0.46922007 -0.25725196 0.51681526 Ti 7.75499415 9.66374223 17.46911330 -0.98215384 -0.36053225 0.31702832 Ti 11.60956468 7.69704617 15.54911344 1.26527529 0.90811223 -2.05775289 Al 13.56144429 9.69316531 15.47178439 57.40447887 29.13212115 29.59924214 Nb 13.60835729 7.80878790 17.41397957 2.82955974 7.15376483 4.92485715 Al 11.65685311 9.68367530 17.41001050 1.31766782 -7.79542768 6.96253660 Ti 15.50365079 7.75521337 15.47828096 2.20962852 -1.02676996 -0.86998291 Al 17.45372471 9.65009941 15.51159623 0.93240400 0.41386468 0.15290882 Ti 17.47688971 7.76724581 17.45375193 0.63518274 -1.33964449 -0.05917546 Nb 15.46242332 9.74789283 17.39919444 0.17986273 0.74629775 -0.11930034 Al -0.01087800 11.67176971 15.51258384 -0.41513298 -0.11824553 -0.17076880 Nb 1.95272577 13.57747129 15.49760237 -0.57753724 2.67108020 -0.51662779 Ti 1.98707318 11.58819238 17.47296645 -2.44276288 0.36532339 1.77585741 Al 0.01317550 13.54468563 17.42791350 0.70031516 0.05589270 -0.39304917 Ti 3.89062397 11.69524849 15.49509850 1.58710021 -1.22661653 -2.22351658 Al 5.80105706 13.54019869 15.50332403 0.45289442 0.48979007 0.06727739 Al 5.78323202 11.60976221 17.47547444 57.27488709 -27.94421985 -29.15506694 Nb 3.86601820 13.58756866 17.46037492 -21.66161001 23.44511330 -44.16633969 Al 7.79149168 11.60379448 15.51392983 -0.36594037 0.29598129 -0.55012037 Nb 9.71606716 13.56963300 15.49085775 -3.75450071 6.35645989 -5.36301385 Ti 9.66600065 11.61380572 17.46783104 0.78158114 0.36378198 2.01974550 Ti 7.73625497 13.56800257 17.48533477 0.04398437 0.37859459 0.35277904 Ti 11.61699398 11.66037887 15.53278065 0.23827791 -2.60980392 0.27868624 Nb 13.60458639 13.52872238 15.53724393 0.79910114 1.46893829 -1.14865451 Ti 13.61119597 11.61693031 17.45278384 -3.63957703 -0.39196495 1.76941146 Al 11.62431046 13.59769766 17.48521814 0.30707678 -0.11212854 0.64042529 Al 15.51594726 11.57212543 15.51959451 -0.33573024 0.17424105 0.08732600 Ti 17.40734057 13.58083987 15.51706377 1.24595821 0.04158396 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