256 Lattice="15.509836601541828 0.0 0.0 0.0 15.509836601541828 0.0 0.0 0.0 15.509836601541828" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1388.0382967633834 stress="0.08439836057834818 -0.011424403029290498 0.13769842558155448 -0.011424403029290498 0.05121950677679654 0.007059211359468531 0.13769842558155448 0.007059211359468531 0.0837092533797856" free_energy=-1388.0382967633834 pbc="F F F" Ti 0.04135325 0.04381720 0.05310838 -1.65390497 -0.39705424 -0.50925121 Nb 1.96692427 1.93713273 0.00175869 4.77277858 0.62695458 -0.41399831 Nb 1.93977403 0.05605810 1.94366219 3.10724768 -1.96660032 0.63306950 Ti 0.04612899 1.91686537 1.95643551 -3.46679287 1.17773878 -1.31605402 Al 3.91305014 0.00648942 0.01021232 -0.57291529 0.41066484 -0.20332146 Nb 5.79805225 1.95021068 0.02341186 -0.95785629 3.64789561 -0.06629544 Ti 5.81311133 0.01237381 1.88640855 1.73418607 -2.32772039 1.14543187 Nb 3.84348330 1.92664463 1.94485996 -1.56874193 2.18504654 -4.12415330 Ti 7.72123933 0.04039069 0.00808920 1.01209166 -1.28957978 0.07004410 Al 9.64233271 1.94171825 0.03086231 0.32561798 1.00354288 -1.02414328 Ti 9.67140062 0.05728206 1.96501362 -0.62012138 -0.41091185 -1.23941260 Al 7.77858413 1.90208596 1.94833077 -0.46797023 1.59854456 0.35391911 Ti 11.64365773 0.03906927 0.03223159 -0.67277053 0.17014552 0.26558722 Al 13.57197450 1.94781218 0.04278498 -0.70352462 0.68972452 0.06832718 Al 13.56606227 0.01051732 1.94623513 -0.57810341 0.10285938 0.50246898 Al 11.66856509 1.98067970 1.92016708 -0.25880983 0.09284810 0.55316917 Ti 0.03614114 3.89862885 0.01885834 -1.02022717 -1.43296474 -0.70652454 Al 1.92953140 5.82794458 0.03367295 0.63752434 -1.73995073 -0.50270122 Al 1.96788007 3.92154928 1.99425449 -0.15183698 -0.68315081 -0.95992914 Nb 0.03156962 5.81659834 1.89510688 -3.25910873 0.75950279 1.41114005 Al 3.92509722 3.83380450 0.02668373 1.44663535 -1.01185592 -1.53051129 Nb 5.80750337 5.81797658 0.00818561 -0.10535436 -1.53242461 -2.43103102 Al 5.79968970 3.87396475 1.92662211 1.01174429 -0.00982627 -0.83929528 Ti 3.90074208 5.83304730 1.87915816 -1.05574785 -0.90853905 1.35079199 Nb 7.81820947 3.82889191 0.05087743 -0.91431018 -0.64878413 1.06357400 Al 9.74709315 5.80354065 0.00482599 -0.50497213 -0.50681716 -0.71057382 Nb 9.69786240 3.93766021 1.93263619 1.73847235 -2.73416249 -1.19015311 Ti 7.79709691 5.84418645 1.92006761 -2.39430421 2.31192779 1.44118114 Nb 11.64080956 3.88100282 0.00276094 -3.09242177 -2.53751479 -1.52549107 Ti 13.57892267 5.79911116 0.01955265 0.48545703 1.37779017 0.26946167 Ti 13.59312817 3.91983339 1.91791884 1.12912880 -1.05677249 0.94371957 Ti 11.70274167 5.83054204 1.93569626 0.13835459 2.97126809 -0.76035259 Al 0.04271505 7.82118951 0.04094286 -0.45434600 -0.62653235 -0.18829185 Al 1.95397392 9.71472713 0.01129980 0.85865518 0.08201635 -0.48792743 Ti 1.89825493 7.73490393 1.91440945 2.14442176 0.58354279 -1.00297529 Al 0.02870904 9.64976877 1.94378928 -0.91879560 0.43128570 0.60642067 Al 3.85509799 7.71042382 0.05062367 0.30299967 1.01442671 -1.79623519 Nb 5.78003738 9.64123132 0.03158747 -1.49511122 -0.65499389 -0.63282983 Ti 5.77534854 7.73118727 1.93953836 2.24219996 -0.52170966 0.89138493 Al 3.88331477 9.68007362 1.95418199 0.22804164 1.82254236 -0.34724055 Al 7.70451015 7.81257365 0.01494456 -0.21971084 -0.27656634 -1.13105373 Al 9.65350909 9.70482895 0.04364445 0.63042815 -0.05743121 -0.26127100 Al 9.64414171 7.74598922 1.96867903 0.42066554 0.51446196 0.07262169 Al 7.74514414 9.69184830 1.94354052 37.83847921 19.33493461 19.11793436 Ti 11.61916743 7.78131752 0.03988017 -1.05333340 -2.32325145 -0.40613077 Nb 13.60767102 9.66615478 0.03702684 1.02165561 1.50046196 0.07522108 Ti 13.55095981 7.71800102 1.97952144 0.30319023 -1.07720915 0.92626841 Nb 11.64720497 9.68705432 1.94578773 -2.63130590 2.79196891 -0.50372911 Ti 0.02895058 11.58483158 0.02692575 -1.23924223 0.45720793 -0.44949396 Al 1.88694459 13.53029211 0.05477640 1.71258703 0.20461567 -0.36410893 Nb 1.88815772 11.64963327 1.92176685 2.75222764 -1.90886191 1.80372131 Ti 0.05656128 13.55911460 1.92066508 -2.65978767 1.95390958 -1.34094337 Nb 3.87934297 11.59609152 0.00610613 -0.06384939 -0.43597271 0.56175397 Nb 5.77021589 13.59903139 0.03909130 -1.80639331 -0.96417046 1.46343637 Al 5.81442832 11.63989357 1.96216130 -0.34988504 0.22327140 -0.27478410 Nb 3.82705109 13.57695035 1.91847069 0.50239042 -0.66512709 0.30833696 Ti 7.75104853 11.57896170 0.00775292 0.45469532 -0.27773444 -2.05185744 Ti 9.72214252 13.57770840 0.00985655 1.05118736 -0.00335094 -1.39677160 Nb 9.64755638 11.66578459 1.95346268 2.55091174 -6.48681997 -2.37147330 Nb 7.74219270 13.60270000 1.90892543 -1.50604124 0.96846882 2.23059797 Ti 11.68160623 11.64042209 0.00225428 -1.85984207 1.02737783 -2.56777080 Nb 13.54137516 13.53390090 0.04487070 1.67772872 0.13667647 -0.45707502 Al 13.57019933 11.65023625 1.97372134 1.00092006 -0.49356760 -1.18978598 Ti 11.62078186 13.54007164 1.88544311 0.10324506 2.42985320 0.06479878 Nb 0.00266213 0.03251012 3.91618558 0.32359434 -0.82015524 1.94159301 Ti 1.89152479 1.94012232 3.86641333 1.27743240 1.40547258 2.08412597 Al 1.91025993 0.00296297 5.79498998 -18.35710276 36.82322336 -19.05666755 Al 0.01266907 1.96102738 5.87141024 -1.22268979 -0.33017019 -0.74477600 Al 3.89204087 0.03908265 3.84846536 -0.74859581 -1.27258158 -0.29771967 Ti 5.81503066 1.95413040 3.83247969 -0.08020262 1.03999442 -0.40276670 Al 5.79925120 0.07194525 5.81844946 0.62080271 -1.40821432 -0.00279514 Ti 3.84416143 1.89005797 5.80647370 -0.69479345 0.98284006 0.75637307 Al 7.73768334 0.07263794 3.90071929 0.22685637 -0.93292573 -0.00794070 Al 9.75866486 1.99892812 3.90661416 -0.15113770 0.21290291 -0.14925469 Ti 9.67153109 0.00558301 5.78965635 -0.50286246 -2.98178628 1.49738134 Nb 7.76988506 1.94113081 5.83529903 0.47699122 -2.79226384 -1.63682582 Nb 11.58566026 0.01558645 3.87215599 -4.72497389 14.24381151 5.50445262 Al 13.58521170 1.95923955 3.89363644 4.40754943 -8.22713819 -4.41065259 Ti 13.54391249 0.03883975 5.81723712 2.09922554 -1.24411302 1.61135384 Nb 11.64015446 1.96840192 5.80375990 -2.31640419 3.07654347 -4.14409810 Nb 0.07066389 3.91851273 3.83251105 16.47224731 -37.42266215 19.75333918 Ti 1.91680459 5.80955050 3.88349869 2.98521956 0.57462891 1.10412554 Al 1.94486502 3.85052775 5.82998858 -0.72236563 0.12674451 -0.79414175 Ti 0.05029642 5.85779736 5.78512183 0.07419465 1.33853524 1.70077374 Ti 3.94030764 3.90777317 3.89951819 -0.65983423 -0.13963014 0.32923789 Al 5.80702340 5.77145219 3.88756644 0.98893846 1.01680620 -1.34310585 Ti 5.85266617 3.86420926 5.81931023 -0.92214731 0.50599955 0.07565109 Ti 3.84478919 5.75184278 5.87842570 -0.58993498 0.26890503 -0.94855310 Ti 7.75156515 3.88448232 3.90330391 -2.49854464 0.02350017 -0.60874851 Nb 9.65113450 5.75197304 3.91021222 2.28116857 0.49526312 1.36923450 Al 9.63788050 3.89693269 5.79454519 7.96735111 -13.45352072 -6.21143470 Ti 7.77200864 5.77813782 5.81777622 -3.01383693 1.18831007 -1.34932110 Al 11.61751116 3.87886237 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5.74544579 0.63471082 0.35170433 -0.63446623 Al 7.77851029 9.68792415 5.81951942 -0.14615531 0.06577428 -0.24736943 Ti 11.62760770 7.73805428 3.83365055 2.01465459 -0.04484269 -2.06420322 Ti 13.60418308 9.72123553 3.81589151 2.85593840 -1.94077329 1.66791931 Ti 13.55048579 7.74417283 5.77702177 2.51181717 3.49500654 -0.80947530 Nb 11.66569436 9.72110647 5.77584672 -2.18932302 2.65602754 2.12607479 Nb 0.01585271 11.66265762 3.91279596 -3.21049226 -0.18977191 -5.55454359 Nb 1.99325080 13.52592515 3.85327586 2.41966203 1.14646996 -1.54997152 Ti 1.94770984 11.66774073 5.81346642 0.12461197 -1.08823998 1.52203279 Ti 0.03687421 13.55738993 5.82527940 -0.20325621 1.30917614 0.89604048 Al 3.83064909 11.65916904 3.85054798 0.27919543 -0.54381265 -0.30883100 Al 5.84075880 13.60446459 3.84208573 -0.24939092 0.25771460 -0.15297878 Ti 5.79303128 11.64256141 5.84209782 0.73153401 0.86878073 -4.03942383 Nb 3.86079917 13.56524971 5.77851603 1.50001079 2.97199502 -1.46186347 Nb 7.74656495 11.61331861 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7.81791523 9.71089699 3.15652149 -1.08804536 -2.86650529 Ti 0.01733396 9.66780583 9.65926471 -2.28322510 -0.39743046 1.97386581 Al 3.91588325 7.74232551 7.74684924 -0.43264875 0.51354790 1.09222776 Nb 5.80208194 9.76722688 7.69152212 -2.52799705 0.29690627 0.91255379 Nb 5.81615899 7.67969012 9.65574263 -3.40542250 -3.02010855 -0.20252164 Nb 3.86481137 9.68889461 9.67548849 -0.19192771 -0.70967515 -3.85214258 Ti 7.78800151 7.70639521 7.73871414 1.53792336 4.90974100 -1.42473016 Al 9.75307549 9.64523692 7.77015609 -0.24858866 0.35005119 -0.18991552 Al 9.72490249 7.76366433 9.74310885 -0.47719884 0.59415787 -0.46221733 Ti 7.72250917 9.72589484 9.71217744 0.59003929 -2.51344897 -1.53133506 Nb 11.59549921 7.72283426 7.78246903 -1.31393791 0.65784371 0.36445483 Al 13.50916806 9.69802414 7.81337241 0.64067833 -0.22536223 -0.08614597 Nb 13.56313371 7.78995153 9.66448178 0.87809141 1.22323122 0.34745711 Nb 11.62191780 9.65447594 9.68550574 4.24848221 4.59166068 -6.85672368 Nb 0.03984295 11.59333090 7.80598730 -2.36237399 -0.33669630 2.35110709 Ti 1.89439963 13.57271118 7.70069786 -0.34738677 3.01622420 0.04756304 Nb 1.93162975 11.60092714 9.63872804 0.73342100 1.24505973 0.41887636 Al 0.04454265 13.58180874 9.71731594 0.44239728 -0.57387368 0.17488804 Nb 3.86331393 11.63413891 7.76947162 0.78922646 -2.15669919 3.31671627 Nb 5.80635434 13.57205973 7.69437814 -0.85463419 0.95620207 0.57316308 Al 5.81245204 11.60758602 9.65049897 5.95055995 -2.92917450 -3.36336046 Al 3.87087403 13.57472618 9.68114770 0.13839088 0.23279616 0.02766476 Nb 7.72842290 11.64037472 7.75798445 2.10258091 0.15743332 -1.28247683 Nb 9.67614444 13.58723201 7.74701870 0.64829040 -0.07214820 -1.53865735 Nb 9.74006680 11.64121065 9.72590676 5.92906746 4.93729332 -5.01622848 Ti 7.77185184 13.56109107 9.69471954 -0.27336762 2.55271269 1.16849240 Nb 11.59266900 11.63334317 7.73763120 -1.44322359 -1.26175526 -0.44432441 Ti 13.53836153 13.57608208 7.72440554 1.50481437 1.44697505 -0.88051148 Nb 13.59854345 11.58750119 9.66963523 -23.43832598 29.39879470 -61.11895757 Nb 11.60335237 13.54201717 9.65740536 -0.77824574 0.02158287 -0.28409749 Al 0.03521250 0.00205741 11.64268448 0.15636069 0.37518193 -0.81706076 Ti 1.95366063 1.92680058 11.69719315 0.47290557 -0.42159761 2.98196690 Ti 1.93562608 0.02257821 13.58960583 0.33274493 0.95028672 -1.26340029 Al 0.03702747 1.91529979 13.50346259 -0.66604436 0.76773249 0.03256949 Al 3.81972477 0.03850253 11.57621453 1.00542527 -1.10449751 -0.07237798 Al 5.81701501 1.91462683 11.64185803 0.04999120 -0.10763911 0.16082827 Nb 5.80010029 0.00284157 13.57839903 -0.29507220 1.47845427 -1.45069314 Al 3.87976988 1.91109682 13.57062165 1.15207227 0.17919155 0.82934966 Al 7.76264520 0.03337157 11.59488410 -23.01517467 10.74581860 -10.68490218 Nb 9.67348234 1.93943331 11.57976669 -0.86197548 -1.21017096 -0.85431990 Al 9.74670704 0.01349565 13.57392961 0.00454995 1.23286605 -0.51152235 Al 7.70875210 1.92178928 13.52193180 0.40254658 0.23243054 0.53497914 Al 11.66412489 0.02396554 11.64180700 -0.91960778 -0.57092189 0.62458326 Ti 13.55516696 1.96127810 11.62986342 1.78549840 -1.52836225 -0.92379047 Al 13.59890222 0.04691395 13.59242316 -0.68542472 1.10593456 -0.35144608 Nb 11.64494908 1.90590824 13.56486172 -28.36259457 -27.71448803 -53.35245757 Nb 0.01376564 3.90278882 11.63018304 -4.75119880 -3.47816117 0.12858974 Ti 2.00437498 5.79549552 11.63018443 -1.08499488 -0.11604621 0.70833533 Ti 1.96361364 3.93078202 13.55509296 0.09741332 -0.74550057 1.40387211 Ti 0.04239279 5.83073151 13.56747742 -0.49497930 -0.41821348 0.46416741 Nb 3.88896122 3.85227215 11.63961824 -5.91484617 3.69651554 5.48498178 Nb 5.82225447 5.78457610 11.65486099 36.10464723 20.03588443 19.29126963 Nb 5.82071332 3.92436069 13.53776660 -0.19123332 -0.33692228 -0.28249567 Al 3.88117675 5.86382454 13.57765253 0.69458116 -0.04566738 0.79448279 Al 7.76430634 3.88099361 11.58022155 -0.04659789 -0.08008733 0.60592598 Ti 9.74219748 5.77394037 11.64362960 3.40210771 1.69960655 -1.64684787 Nb 9.68556217 3.91768552 13.56203980 -6.77508857 -11.97971704 6.92338795 Nb 7.81076504 5.83188058 13.58423005 -0.20918375 -0.95100351 0.27072653 Ti 11.59690852 3.85772217 11.65715480 0.38277082 3.69059007 -2.73647330 Ti 13.55193662 5.74572818 11.66935666 -0.88138210 0.69773143 -0.36462251 Nb 13.56701072 3.88065368 13.55465473 1.12316103 -1.10167618 2.56788275 Ti 11.61310443 5.82768309 13.57185802 -0.32358033 1.09889889 -0.67992013 Al 0.02592421 7.76857025 11.63055850 -0.96912869 -0.23978066 0.54722773 Ti 1.93661518 9.65357004 11.61852750 -0.73277576 0.54977256 1.68158046 Nb 1.95267657 7.72187417 13.57388986 -0.42778350 0.59251365 1.23499542 Al 0.02950374 9.74033125 13.56924786 0.26028002 -0.63104122 0.21782443 Al 3.89471260 7.77710483 11.64125721 0.94274281 -1.45174453 -1.30508216 Ti 5.80364625 9.64373937 11.58525636 0.32163701 -0.96111379 1.25073238 Ti 5.83561154 7.77310445 13.57344317 -1.20881328 2.20046908 0.12535973 Ti 3.86036631 9.65983656 13.59763829 1.74042733 0.52371044 -0.15884352 Al 7.77288627 7.76181475 11.63760902 -3.01513944 -7.20630395 3.18386445 Nb 9.65875021 9.70253438 11.67752734 1.57443338 -2.60245419 -0.00299938 Al 9.71001784 7.71750578 13.58005715 -42.62761964 -22.91755529 -10.21804310 Al 7.76863037 9.62837302 13.55792249 0.11028624 0.13455664 0.65686200 Al 11.60260327 7.79306248 11.59874189 19.83605680 -18.45485336 -18.99837787 Al 13.60400363 9.72664494 11.65257763 0.21220276 -0.52148453 -0.42753770 Nb 13.58685254 7.71990604 13.59307484 -0.54447220 1.03524597 -0.57742132 Al 11.63830518 9.73773836 13.57885110 -4.28113369 -4.62651359 8.63020484 Al 0.07226949 11.60728825 11.67824303 -1.02673577 0.16267964 -1.50120324 Nb 1.96155025 13.55951743 11.62681815 10.62343920 -3.92970298 9.42092381 Ti 1.95899223 11.62575699 13.55067871 -0.34911696 -1.04140302 2.60585387 Ti 0.01423508 13.54267568 13.50830328 0.14383620 -0.22406197 0.57613534 Nb 3.90051568 11.66262991 11.65814315 1.70619413 3.79774923 -2.49739954 Nb 5.84982320 13.55183147 11.67005317 -1.73677413 -1.20989969 1.70584997 Al 5.84649581 11.66780606 13.59742849 -16.02951926 7.44504018 -8.00194775 Al 3.86050097 13.58761795 13.57380615 -0.06514699 -0.22592715 -0.87164881 Nb 7.70019587 11.61206221 11.64400840 -2.63628312 -0.15434301 2.08771617 Ti 9.67252547 13.55079754 11.65112039 -1.68567158 3.51645974 0.21990732 Ti 9.64469441 11.60182331 13.54053074 -0.40496142 1.05021641 3.43893008 Al 7.73459264 13.57400604 13.57973385 -0.08557247 -0.01275346 -0.50588155 Nb 11.64714059 11.64938593 11.66173395 -0.11241960 -2.18916880 -2.75474304 Ti 13.56998204 13.59279335 11.64798095 1.98292790 1.21228960 0.11996998 Ti 13.53629453 11.63357343 13.56671692 1.55903536 -0.44424054 0.25406171 Nb 11.59416050 13.60616511 13.59485211 -0.21848275 1.54900393 1.46315273