108 Lattice="11.632376341806832 0.0 0.0 0.0 11.632376341806832 0.0 0.0 0.0 11.632376341806832" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.7044025405049 stress="0.08896299710573487 0.0727519016577719 0.11770783454935076 0.0727519016577719 -0.020953385543079458 0.08430751873992429 0.11770783454935076 0.08430751873992429 0.10042840745847095" free_energy=-561.7044025405049 pbc="F F F" Al 0.03082142 0.04042723 0.06147696 0.12519420 0.81421148 1.06515801 Al 1.91032743 1.98891943 0.06857545 0.30174321 -0.25373820 -0.58821810 Al 1.93399080 0.00822716 1.96146391 -0.51571154 -0.50438488 0.34823403 Nb 0.00494902 1.94678897 1.96720118 -0.50460256 -1.86888189 0.24010319 Ti 3.87625332 0.02044950 0.02299513 0.08366107 1.06630589 0.69290416 Ti 5.79277556 1.94005314 0.00965699 0.75026323 -2.18890730 -0.66472755 Al 5.85028097 0.05641931 2.00830466 -0.35807419 -0.81635803 0.30975047 Al 3.83424708 1.92812070 1.93411771 0.05608235 0.58130157 0.73544977 Ti 7.78288548 0.00788274 0.05034248 -1.89501514 0.59143134 -0.31088358 Al 9.68101391 1.91807734 0.04276032 0.56415322 -0.37765702 -0.17985090 Nb 9.66705427 0.03221950 1.93932052 0.86965284 0.03714115 0.98361859 Ti 7.79487784 1.95035305 1.94592461 0.08631241 1.11289758 -0.91077238 Ti 0.00768479 3.87906370 0.00808945 -1.61954266 0.73319777 -1.93558302 Al 1.88653091 5.80530955 0.01120858 0.68893461 0.48175675 -0.89493386 Nb 1.92814565 3.88539484 1.87723245 2.05713670 0.78642185 0.29903037 Al 0.03787741 5.77954193 1.91870122 -0.85042864 0.12170554 0.45778896 Nb 3.88228056 3.92437719 0.00953314 -0.29942034 1.68824698 1.15981568 Nb 5.87279231 5.82241344 0.00447211 -0.68111078 -0.58728853 1.13320877 Nb 5.84247166 3.88031820 1.99932810 -2.75869442 0.88531254 -2.50488785 Al 3.86459537 5.81572972 1.92032146 0.34725391 -0.20907220 -0.07939989 Al 7.73787520 3.86731134 0.01740346 -1.02146661 0.24889932 -1.33167234 Ti 9.65783148 5.79762206 0.03228359 1.52498880 0.47521319 -1.13761869 Ti 9.64472400 3.90130231 1.88074057 1.52482566 -2.33869421 0.15079847 Nb 7.73479523 5.87584099 1.93999734 -2.42277302 -1.10880124 -0.53144019 Nb 0.01859995 7.82572605 0.07257217 -1.38188602 -1.05724443 -0.62677594 Ti 1.95525333 9.71930483 0.06350108 -0.16469066 1.36279275 -1.00122375 Ti 1.96790029 7.74211473 1.94853305 -1.34810217 -1.75840231 -0.67360506 Al 0.04120655 9.65265823 1.89983901 -0.45328620 0.15511709 0.38262732 Nb 3.88220073 7.69285321 0.02604832 2.57773614 -1.27007777 -0.42952389 Al 5.79724448 9.72728184 0.05748274 -0.56119507 -0.53170155 0.22874759 Al 5.83411740 7.81198854 1.93938257 -1.10876146 -0.50940939 -0.40270806 Nb 3.90516269 9.62754947 1.91505328 3.25551621 0.45263193 2.09933037 Ti 7.76569580 7.72069198 0.03143213 0.78091615 3.07700860 -0.71057781 Ti 9.69266240 9.71299782 0.03335628 -0.98684503 -1.27076313 1.01422117 Ti 9.72366926 7.78538138 1.94906236 1.07423888 1.08198682 -2.05322779 Ti 7.76338115 9.71255321 1.93683819 -0.09690226 -0.08394130 -2.04238690 Nb 0.02276942 0.00815817 3.86510889 0.19249484 0.52308679 -0.52702091 Ti 1.94758075 1.94108583 3.92525655 -0.62809002 0.94372900 0.22921209 Al 1.93814413 0.02728188 5.75548219 0.60324142 -0.36969772 0.93333930 Al 0.06946671 1.99122653 5.76185098 -1.58282098 -0.83143076 0.55080888 Nb 3.89409643 0.03625093 3.83914026 0.89551349 0.15406911 -1.03138127 Nb 5.87983863 1.96993857 3.91452368 -1.91724434 -2.57900153 -1.82794246 Ti 5.81184073 0.01442078 5.85110985 0.60317108 -3.33393009 1.39282643 Nb 3.86914918 1.97277376 5.82335468 -1.99304250 -1.91344333 -4.02308672 Al 7.77784702 0.03145949 3.86175836 23.59596330 22.75761917 48.11930402 Al 9.67273723 1.92225465 3.89656314 0.87553233 0.42000098 0.36982363 Ti 9.70911379 0.01591958 5.87905508 1.01164513 -2.10190565 -1.13335330 Nb 7.68928112 1.97706328 5.77408450 2.97481596 -1.59664320 -0.95716309 Al 0.05273908 3.86975523 3.89576436 -0.74302505 0.00891074 -0.69140716 Nb 1.96203268 5.82259633 3.91934262 0.98228989 -1.74562765 -1.06006627 Ti 1.95166899 3.88561325 5.83683178 -2.75231659 -1.37438552 -0.86398304 Al 0.04488604 5.79314761 5.75744847 -1.08174878 -0.29972139 0.75990217 Nb 3.83643934 3.84266851 3.88293756 0.51304934 0.38128985 -2.78821067 Ti 5.80188263 5.80153243 3.82525526 1.42852765 1.54445655 2.25937577 Ti 5.79197926 3.87881811 5.77380719 3.65503818 3.64188882 1.05813689 Nb 3.87692311 5.84153721 5.82044997 -0.99254715 -1.59504378 0.42547014 Ti 7.75978847 3.94847766 3.87512310 -0.57570951 -0.36588439 0.21074386 Nb 9.69609317 5.83380019 3.88596904 1.66048047 -0.76440306 1.29595929 Nb 9.68207917 3.83586827 5.83777015 1.28507012 -0.09914865 0.07551826 Al 7.75408287 5.81953079 5.79408683 5.62083375 3.08157029 -2.43887055 Ti 0.01587124 7.75972335 3.91247656 -1.20632267 -0.16166845 -0.42762216 Nb 1.97379285 9.63919655 3.88118731 1.60202121 3.26082949 1.43617527 Ti 1.96309021 7.72971693 5.82758631 -2.95824489 0.04569173 4.17376884 Al 0.01398048 9.69890355 5.81409492 0.49616309 -0.11505042 0.18022086 Nb 3.92401526 7.78718405 3.84353647 0.20127011 0.69451557 -2.09013793 Nb 5.81666039 9.69167716 3.87256978 -2.25885683 2.28613430 -0.45914229 Ti 5.74365539 7.80431926 5.79484694 3.26922759 -2.35088624 0.90122043 Nb 3.92069802 9.71444794 5.82973984 -0.85062734 2.57395124 -1.24452961 Ti 7.72756679 7.77284803 3.85135621 -1.79439297 -0.50288616 1.53897784 Nb 9.70518834 9.69412710 3.90390212 0.91413112 2.02085508 0.98491221 Ti 9.70257938 7.77567611 5.84965596 1.48205200 -0.34989837 -0.90962420 Al 7.77522686 9.68562781 5.81716634 -0.21032558 1.20164248 0.27977726 Al 0.05249667 0.00137412 7.75342174 0.31893916 0.44646739 -0.23322367 Al 1.95991474 1.94685619 7.73909506 -0.41317046 0.10326788 0.11155267 Ti 1.99835921 0.03449674 9.71666105 0.12506377 0.96774272 -0.83397869 Al 0.00600128 1.93633608 9.63336453 0.48001821 1.00324329 -0.36801857 Ti 3.91875453 0.02238650 7.80795017 -0.45366994 -0.91188832 0.17396842 Ti 5.83379663 1.91063613 7.74229415 0.21381662 0.41644399 2.02450035 Al 5.81267810 0.03906334 9.69294363 -2.33639310 -1.55170966 1.83618427 Ti 3.87097713 1.97130982 9.73020309 0.64300498 -2.17883074 1.35416441 Al 7.70314352 0.01436215 7.70478194 0.79139065 -0.97809487 0.69576080 Nb 9.69867255 1.95938053 7.75522984 -19.21614829 -21.00780008 -50.90329897 Ti 9.64118464 0.01210038 9.65826403 -0.43334427 -0.04860739 0.18790652 Ti 7.76886186 1.97239535 9.68169584 -1.46463382 -0.07050564 0.93738083 Nb 0.03818128 3.83945724 7.72581263 0.76235173 0.03657578 1.93186099 Al 1.90522211 5.81738607 7.79114731 -4.72377556 -10.96538681 -4.84833713 Nb 1.96949206 3.87788202 9.70191886 -2.41247813 0.32803014 -0.85191588 Nb 0.04008501 5.79179542 9.70245956 0.14224670 -2.55955944 -0.36818886 Nb 3.87996040 3.88178067 7.74602710 43.95266985 23.67099962 27.68256770 Al 5.78756546 5.81707065 7.77043329 0.54990974 -0.14286631 -0.38093159 Al 5.77136826 3.91098429 9.71899518 2.07176357 1.52384707 4.04637402 Ti 3.88134187 5.81306511 9.71391349 0.11422115 2.82582162 1.56314591 Ti 7.77542705 3.86049816 7.75642942 -3.08789125 2.63873044 1.39924952 Al 9.70257183 5.86992986 7.69689507 0.50394859 -0.44649944 0.57958736 Al 9.64909802 3.87245095 9.72939013 0.32761386 0.09006690 -0.58984420 Al 7.75903138 5.82795977 9.67590860 -51.03104329 -25.02530386 -25.18437079 Ti 0.02154726 7.69901663 7.77058063 0.87667853 0.55229887 -2.86212745 Al 1.91270333 9.71294673 7.72785622 0.15000724 1.12355196 0.23544625 Ti 1.93613242 7.73152328 9.70936723 1.42184576 -0.95897690 -0.15594136 Nb 0.07236863 9.64302663 9.65152886 0.79244351 0.39902395 -0.43742343 Ti 3.84525382 7.75316058 7.78602573 -0.96755941 -0.64062903 0.89020352 Al 5.87950406 9.70400140 7.73481651 0.10004583 0.70554546 0.58726480 Al 5.80014627 7.71797444 9.70377345 0.79508852 0.93277540 0.53624619 Nb 3.87009730 9.71211912 9.67455447 5.30471144 10.42008357 3.84330172 Nb 7.74239624 7.74566558 7.71567301 -0.47489039 -0.64751407 2.88607557 Nb 9.69996598 9.72474687 7.71133067 -1.59211636 -0.23230550 1.11177912 Nb 9.70684772 7.72936126 9.67047005 -1.79559676 0.22953840 -1.37370072 Nb 7.78660731 9.70093759 9.69107155 0.00761390 -2.15541800 -2.21592086