256 Lattice="15.503267669677745 0.0 0.0 0.0 15.503267669677745 0.0 0.0 0.0 15.503267669677745" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1403.8795782913219 stress="0.3098461058374745 0.006763003198221401 0.044849526655968044 0.006763003198221401 0.19701784774272946 -0.10364138437691102 0.044849526655968044 -0.10364138437691102 0.20494692665111425" free_energy=-1403.8795782913219 pbc="F F F" Ti 0.01618133 0.00905141 0.00801200 -0.72365749 0.38541152 -0.58992452 Ti 1.96297018 1.88635820 0.01615356 -0.36177680 2.26118795 -1.47635003 Nb 1.95139602 0.03503450 1.93194837 1.00949213 -2.38012893 2.53206253 Ti 0.02757476 1.94961238 1.91937186 -1.71070847 2.50889884 -0.84529175 Al 3.85261858 0.03538864 0.04133550 -0.11758394 -1.03541874 -0.18280140 Ti 5.81658413 1.88348972 0.05805217 -0.15843763 0.97315576 -0.47784903 Al 5.79199261 0.01584317 1.94376156 45.77850548 21.53188015 23.61848850 Ti 3.85464722 1.96048292 1.92346788 1.17897830 1.57933227 -0.02815681 Ti 7.72947530 0.04735597 0.01028116 0.01757189 0.17011175 -0.87950232 Ti 9.70858924 1.95718620 0.03556067 -1.83385681 2.19193187 -2.73380345 Nb 9.65311181 0.01853477 1.92198348 1.33511976 -2.21011503 2.85884109 Ti 7.73708536 1.98786720 1.94719921 -1.43268463 1.10852508 -0.84573027 Nb 11.56241990 0.00211212 0.03580718 -0.19517704 0.12091819 0.37930821 Nb 13.58153449 2.00905913 0.04808836 -1.13444711 1.79331003 -0.26136348 Ti 13.58705716 0.01437326 1.90009457 2.42974912 -1.82816683 1.67137167 Nb 11.61862277 1.94068922 1.98107587 -0.31390624 0.84588285 -0.11848950 Al 0.01046940 3.82645552 0.01949393 0.34412266 0.62713916 -0.11500096 Nb 1.92275318 5.84002211 0.03213011 0.58343934 0.44728156 0.24718489 Al 1.95760665 3.87544739 1.95239964 0.03955488 0.52641163 -0.10843634 Ti 0.01708418 5.83999526 1.95525742 -2.63124261 -0.58449259 -0.17279197 Ti 3.92688699 3.91385081 0.03080673 -0.78781792 -4.05961378 -1.90148248 Nb 5.83038052 5.77149057 0.05210853 1.03678013 0.91548954 -0.24210555 Ti 5.81171789 3.88224788 1.95473171 1.02621695 -2.33902885 1.58490256 Nb 3.89801928 5.80824957 1.87685010 -1.89838585 2.32113406 0.62263527 Al 7.76524786 3.87191468 0.01629984 -0.75857376 0.40072673 -1.39835347 Ti 9.66743789 5.80759626 0.01362406 0.04768209 -0.40850417 0.15081588 Ti 9.72585987 3.88528749 1.90928541 -1.16807275 1.35680958 -0.31364808 Al 7.72186287 5.82593791 1.95652767 0.21024692 -0.58186854 -0.23658283 Al 11.66050539 3.92209690 0.04951360 0.92754200 -0.37708232 -1.14700806 Al 13.53777335 5.86250494 0.02032783 -0.11356988 -0.47162616 0.09891461 Nb 13.57624344 3.90983178 1.94226847 -0.66001998 1.80217334 -1.72232047 Al 11.62258966 5.80901582 1.92041609 0.68218657 2.22281381 0.54312928 Al 0.03729684 7.73237475 0.06964954 0.34997096 -0.11597357 -0.59788719 Ti 1.93413480 9.69811349 0.04478484 0.04835252 0.25206690 -0.58179631 Al 1.91896612 7.75164429 1.92715067 0.64237099 -0.75363234 0.32395860 Al 0.06639197 9.65900502 1.96549786 -1.76161849 0.11917601 0.24801273 Nb 3.92817240 7.71298601 0.02939212 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3.88731878 1.79473547 -1.00501978 -0.03316897 Al 1.93407632 1.90136698 3.87370561 0.18546666 0.38376284 -0.13710817 Al 1.92202719 0.00579943 5.81675644 -0.62160092 -1.22931740 -0.53299560 Ti 0.03166762 1.96783901 5.77615413 -0.51800728 0.61350716 0.47432470 Ti 3.88822917 0.01990844 3.90980749 2.04621822 -0.55341150 1.87653637 Ti 5.78850493 2.00791024 3.86515619 -0.42774657 -0.38597417 -0.89325161 Ti 5.82385203 0.01858375 5.83621195 -2.22185070 -2.42922128 -1.97109113 Ti 3.86893553 1.93348848 5.84661238 -1.63985786 1.18616201 -1.04932622 Al 7.71205129 0.06928352 3.87026612 0.89636917 -1.07928057 0.23821297 Nb 9.66268999 1.95735970 3.89672836 -44.02342252 -25.54569345 -19.89245481 Nb 9.72778498 0.01284945 5.82115337 -0.62251140 -0.03246343 -2.30659365 Nb 7.75650964 1.89819268 5.85825862 1.07486441 1.06175977 0.45173868 Nb 11.56915385 0.06466991 3.90707641 -2.70047414 -0.16043571 1.00808461 Ti 13.58796405 1.97588858 3.82019683 3.66807697 -0.20357606 0.08584813 Nb 13.58381211 0.03467362 5.85018184 -28.49942210 54.98488432 -29.12290154 Nb 11.59624123 1.94882772 5.82450016 -2.59675457 -0.21870961 -4.51543715 Ti 0.02906151 3.90590280 3.88483747 -1.73620928 -1.06025547 -0.88186496 Nb 1.94256947 5.77996428 3.86990817 46.22747093 -19.62189090 14.93301171 Al 1.91939793 3.91077138 5.78376790 0.69530516 0.60156429 0.62916519 Al 0.00358864 5.81230455 5.81556258 -0.35377841 0.18052337 0.46054163 Al 3.89942316 3.84924981 3.81653257 -1.36636316 1.41152130 0.91464812 Ti 5.83775576 5.83206995 3.83400655 2.07354058 -1.45556933 2.69016297 Al 5.81486525 3.84666406 5.82777913 -47.44226792 24.34654597 -23.35844985 Al 3.93190166 5.80979538 5.79886126 -0.57106656 0.20631513 -0.03449199 Ti 7.78121854 3.88087844 3.90555480 -1.51604839 1.17130987 -1.45264308 Al 9.68592517 5.82342001 3.86827847 0.55226886 -0.37299392 0.37344112 Al 9.70697890 3.81126487 5.80697727 -50.02287138 -23.64927173 25.46969124 Al 7.79266054 5.79457825 5.84566830 -0.89991404 -0.52570011 -0.08657971 Al 11.63652852 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5.80205091 0.01349997 9.67906932 1.04100967 -3.07262399 0.25528064 Nb 3.87166602 1.95272455 9.65847506 -17.10167845 -13.69417289 37.32815082 Nb 7.72789748 0.04787177 7.77575696 1.26413292 -2.73630185 -2.10346709 Ti 9.68970145 1.93260742 7.75508602 3.06803010 2.57080259 3.80746647 Nb 9.70600106 0.00608033 9.68246856 0.04153598 -3.24721144 2.86526272 Ti 7.78544560 1.87057530 9.70557277 0.17413934 1.68332636 0.84810547 Ti 11.63690746 0.02490253 7.78466369 -0.48407040 -0.99008956 1.64386735 Ti 13.52723212 1.90990982 7.78373467 0.54714893 2.25578028 1.05244662 Nb 13.58826022 0.04728824 9.70284229 1.29210255 -1.04282918 2.21277501 Ti 11.64775654 1.96004688 9.75849871 -0.82885335 1.16992733 -5.57990676 Nb 0.01803892 3.87657058 7.76738598 54.79969910 29.98647786 29.66642297 Nb 1.99912031 5.77773116 7.73351330 -0.13530566 0.04976880 -1.36819568 Nb 1.95459029 3.91673186 9.65281874 -0.72770622 -0.77413967 -0.08828686 Al 0.05698170 5.76125141 9.69469099 -0.81196978 -0.15078997 -0.63354851 Al 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-0.28445568 2.41779632 Al 11.68497721 0.05635883 11.58314937 -0.27416512 -1.20132134 0.35932927 Nb 13.58284031 1.92550021 11.64533364 2.28522707 -1.27122868 -1.78343640 Ti 13.59525946 0.04149768 13.59166503 -1.01397123 0.23478294 0.22920287 Ti 11.59065203 1.96539646 13.55099211 1.23468266 -1.90380118 3.20044234 Al 0.03770826 3.80310874 11.62561525 -0.35017157 0.47215454 -0.71076186 Ti 1.94321174 5.82703458 11.62765713 -2.56368962 -1.26867678 -1.41838814 Al 1.92883369 3.85549546 13.56208692 1.17013629 0.57260717 0.55438681 Ti 0.00444886 5.81490614 13.60114638 0.20600674 -1.25439432 -1.34674664 Nb 3.92735892 3.90995577 11.66521711 0.93219097 -1.98795786 0.07096952 Nb 5.85037969 5.83643728 11.61658546 -58.45110291 27.46964807 -30.99485577 Nb 5.84728671 3.84682235 13.54280700 -19.73783009 17.80068326 -34.33780096 Nb 3.85583378 5.77423806 13.59820717 0.23985052 -1.07872677 1.71913366 Al 7.74156098 3.81880775 11.61160590 -0.29515114 0.90226373 -0.50145338 Ti 9.62098140 5.82990299 11.57545715 -1.15742473 -2.40741204 1.73229000 Al 9.74825594 3.84392739 13.55712316 -0.59259564 1.00287939 0.53715000 Ti 7.75839810 5.81775435 13.59456141 1.09155720 -0.89145933 -0.07980151 Nb 11.57955172 3.84723162 11.58532857 -2.28306902 1.51541137 0.05438102 Nb 13.57036182 5.84858383 11.63420820 -0.32304402 0.30736965 -2.26159835 Ti 13.58768306 3.90325525 13.53787577 0.74726536 -0.14084342 2.42991612 Al 11.62883599 5.77437197 13.57091767 -1.33445716 -0.92871720 -0.40819531 Al 0.05295465 7.75299837 11.58526039 -0.82450991 0.72087778 0.39173702 Nb 1.95156672 9.70332273 11.61502472 -2.89726019 -2.55495178 0.41406513 Nb 1.91963536 7.68208074 13.57763797 0.18007712 2.72243025 0.95087471 Nb 0.04416095 9.62993370 13.53446129 1.37222389 -1.18391146 -0.36114573 Nb 3.83964958 7.72188926 11.65966236 -0.55239718 -2.30421238 -1.15018077 Ti 5.80013153 9.72516620 11.62266209 -1.71879554 -1.71374079 -0.54820086 Ti 5.79353559 7.74882993 13.57956135 2.51554081 2.43803975 1.75564124 Ti 3.87479446 9.67807949 13.57793961 1.82935173 1.35257735 2.05430749 Al 7.74308700 7.76347546 11.65114209 0.26292253 0.47781514 -0.81715371 Al 9.71812700 9.65931736 11.59149116 23.67561617 50.30155866 -24.94249292 Nb 9.66662526 7.78211606 13.58699175 2.48030912 1.66610569 0.60991038 Ti 7.74370232 9.71191125 13.56197536 -1.29207803 -3.17297909 1.03510335 Nb 11.61574511 7.74153005 11.61933906 -0.72974609 0.61715641 -2.32882233 Al 13.56090776 9.74181342 11.64342170 0.97404706 -0.47315658 -0.10805843 Ti 13.53259215 7.75046803 13.52366588 1.25192757 0.60666545 2.17297198 Al 11.63401051 9.67523035 13.55103625 29.05270674 -28.88049065 -57.14789176 Ti 0.02506748 11.66493139 11.65229519 -2.09559844 1.45712913 0.09318268 Nb 1.96346954 13.56323766 11.66437423 0.50129480 1.57927098 0.40255904 Al 1.99468021 11.64703413 13.57364017 0.67902794 1.21594662 3.34061756 Al 0.02378701 13.54858861 13.57543675 0.98119678 -0.35053616 -0.66138129 Ti 3.84999868 11.66729871 11.64390598 1.07674991 -2.88656041 -3.17858974 Al 5.76181803 13.58263230 11.57460958 4.21837092 4.76812522 9.18795121 Nb 5.84912165 11.61608167 13.57649617 1.41419250 4.35605253 1.73867822 Nb 3.86136428 13.58757880 13.54083361 -0.23997338 -0.23213726 -0.32519485 Nb 7.74076701 11.65584990 11.59089138 -2.18662788 0.39630297 -0.15120816 Ti 9.64415599 13.55439986 11.63930729 0.83574275 2.05075102 -0.33454826 Nb 9.70210806 11.66250974 13.55875809 0.01216680 -0.35561433 2.35728848 Al 7.77519604 13.54496932 13.56208998 -0.59358320 -0.81449758 0.06376056 Ti 11.58163158 11.58532099 11.64276837 -0.14743905 -0.54368084 -1.43021969 Ti 13.52898772 13.55624131 11.59490801 0.53757239 0.54055086 0.38985473 Nb 13.55555169 11.62656982 13.59827860 -0.62692194 -0.51980457 0.63543750 Al 11.67896611 13.56101019 13.53756377 -0.21327565 -0.46179636 0.11949156