108 Lattice="11.900684691604873 0.0 0.0 0.0 11.900684691604873 0.0 0.0 0.0 11.900684691604873" Properties=species:S:1:pos:R:3:forces:R:3 energy=-402.35484625925625 stress="-0.007353453467837347 0.00018695688741206482 -0.001526006035972867 0.00018695688741206482 -0.003520788986175926 -0.0008621555470771185 -0.001526006035972867 -0.0008621555470771185 -0.005288200860386897" free_energy=-402.35484625925625 pbc="F F F" Al 0.01820008 0.02954122 0.03737980 0.36943279 0.31356004 0.32723081 Ti 2.03969516 1.96885375 0.03446583 -0.29453730 0.31151342 -0.70633244 Ti 1.98062372 0.03491866 1.99980646 0.16335979 -0.78509840 -0.20217952 Ti 0.03759460 2.01895064 1.94949245 -0.86222607 -0.18142208 0.07245093 Al 3.99512815 0.02283196 0.01640877 0.00817029 0.04378558 0.21215921 Al 5.92636702 1.99861688 0.01060389 0.25420963 0.04760646 0.07363420 Al 5.92916208 0.01011766 2.01283423 0.22604072 0.18438653 0.08120675 Al 4.00502241 1.95346225 1.95671601 -0.10266616 0.21399069 0.66077637 Al 7.86819805 0.03910727 0.01538087 0.07154320 0.22686483 0.32730549 Ti 9.94495742 1.97314267 0.03334525 -0.24426906 0.15426051 0.07676082 Ti 9.92390441 0.04751921 1.99500132 -0.19647683 -0.04678678 0.00166561 Al 7.89550451 1.95835245 1.97516391 -0.31310567 0.34535608 0.18681735 Al 0.03072224 3.99083858 0.00112638 0.29369970 -0.12301728 0.13447496 Ti 1.99195787 5.95904376 0.00151025 -0.20915112 0.18976422 -0.64488111 Al 1.94525877 3.98365164 1.99714225 0.55003205 -0.36468887 -0.17591675 Al 0.01541747 5.94067148 1.98074418 -0.21453148 0.03081836 0.19045012 Ti 3.97758946 3.99566940 0.01356379 -0.23663971 -0.47461738 -0.61071157 Al 5.95673851 5.92507966 0.03984247 0.38966151 0.68823192 -0.35745038 Ti 5.92721421 3.97644375 2.01876946 0.55478758 -0.45160340 -0.65357476 Ti 3.93997699 5.92793295 1.95586209 0.15539747 0.22975733 0.18414558 Al 7.96919065 3.98330294 0.00341384 -0.46878193 -0.24541454 0.15844314 Al 9.88382899 5.94315934 0.02697874 -0.13772753 0.22748451 0.18245581 Ti 9.92355040 3.98117387 2.02282665 0.23767724 -0.10553861 -0.18612056 Ti 7.93723729 5.95453755 2.02225047 0.13575860 0.13496200 -0.76447125 Ti 0.00057158 7.96266607 0.01356891 0.28090742 -0.15091509 0.25902152 Ti 1.96896809 9.95126420 0.00599120 0.16085062 -0.31367822 0.28746347 Ti 2.00855994 7.90575541 2.01063978 -0.54475208 0.43019253 -0.22963764 Al 0.02158110 9.94278608 2.01817787 0.15066350 -0.32331358 0.07787529 Ti 3.96464529 7.96508085 0.00429899 0.10486856 -0.02290039 -0.54660999 Ti 5.95056105 9.94228072 0.03841128 0.01295218 -0.05194506 -0.19758436 Al 5.91878836 7.93959557 2.01906809 0.62623394 0.22428272 -0.78101398 Al 3.98172626 9.90265343 2.00889785 0.12358348 0.40543492 0.02698482 Al 7.92712904 7.95742999 0.00590088 -0.29995664 -0.31378628 0.31707755 Ti 9.94605229 9.89776496 0.01384704 -0.35138873 -0.14743488 0.15229315 Al 9.89539849 7.96857176 1.95759590 0.25470973 -0.48622940 0.12590133 Al 7.92431471 9.93278245 1.95324024 0.13904069 -0.19434728 0.51100687 Ti 0.01688627 0.02440881 3.99745389 -0.47926618 -0.28622335 -0.50260172 Al 1.94579086 1.97002587 3.95014179 1.22444261 0.58442947 0.13943328 Al 1.97351937 0.01815269 5.91913625 0.65639349 -0.22136571 0.39421801 Ti 0.00891771 1.94581310 5.97042386 -0.51389966 0.43007401 0.28989623 Al 3.98128589 0.00943391 3.91311105 -0.09929806 0.21371164 0.27894331 Al 5.95111278 1.98840263 3.95498586 0.11345556 -0.42091506 -0.17851104 Ti 5.96250457 0.03063176 5.95038252 -0.18912671 -0.58342478 0.18938619 Ti 3.95939950 2.00287909 5.96678032 -0.22417826 -0.50614721 -0.50978094 Al 7.93725135 0.03301849 3.97426202 -0.22834132 -0.16942280 -0.42584783 Ti 9.93421569 2.01183505 3.98417362 0.35588606 -0.05564601 -0.23329698 Ti 9.95161244 0.02104389 5.92015854 -0.12802241 -0.01260261 0.23402102 Ti 7.95685786 2.00049462 5.93793095 -0.13840476 -0.26319774 0.32378498 Ti 0.01138679 3.94413559 3.96892841 -0.75362768 0.22007084 0.14077667 Ti 1.99537469 5.92903800 3.97718794 -0.42777597 0.09564874 -0.23282627 Al 2.01381243 3.96064308 5.94807609 -0.77997285 -0.08164152 0.23041841 Al 0.03926972 5.93180010 5.96640748 -0.33017572 -0.00495430 0.19452047 Ti 4.00395021 3.98488810 3.95442652 -0.56669929 -0.70097404 -0.09594158 Ti 5.96606257 5.95360631 3.94986090 0.06324600 0.13722952 0.36394880 Al 5.97636109 3.95696349 5.96273662 0.34636210 0.19942409 -0.06170796 Ti 3.94819694 5.91844311 5.91566798 0.38070297 0.49206416 0.35309845 Ti 7.90004670 3.97899768 3.99672923 0.41996322 -0.27682502 -0.47520561 Al 9.90207183 5.97673184 3.99068897 0.51132141 -0.14082964 0.11628909 Al 9.87832789 3.96884986 5.95346311 0.48876804 -0.01966526 0.24711856 Al 7.97233994 5.94462514 5.94030115 -0.23403984 0.24946198 0.36568873 Al 0.02124415 7.95938707 3.99817013 -0.44051684 -0.32193532 -0.53102316 Ti 2.01242781 9.93607125 3.93371548 -0.20251523 0.37874697 0.19961689 Ti 1.94813653 7.89572887 5.91554898 0.38905833 0.59647101 0.69307608 Ti 0.07115092 9.94550635 6.00379106 -0.25978140 -0.03816654 -0.23620261 Ti 3.99969121 7.90675871 3.93262133 -0.18738048 0.30276153 0.55944069 Al 6.00513250 9.94048567 3.95519048 -0.15849739 -0.20723062 -0.29064629 Al 5.97476099 7.92242460 5.96154744 0.28978091 0.30233638 -0.13524870 Ti 3.95269627 9.90956344 5.92058596 0.12331704 0.39889261 0.33933698 Ti 7.96957859 7.90298376 3.89452340 -0.40482094 0.78357432 0.48145636 Al 9.92160094 9.87303224 3.99320611 -0.10005023 -0.02323951 -0.42928912 Al 9.93425883 7.96522341 5.91074450 0.25059616 -0.49944798 0.21193074 Ti 7.96411170 9.93170237 5.93071527 -0.20282365 0.28877795 0.07123476 Al 0.02974882 0.02307858 7.97030187 0.27465595 0.16236290 -0.26500876 Ti 1.98420224 2.01213596 7.99041599 0.06147078 -0.54813953 -0.54899718 Al 2.01439035 0.01455978 9.95476983 0.07701388 0.21972178 -0.21277534 Ti 0.05367315 1.98017870 9.94398904 -0.17622254 0.07713685 0.11207970 Al 3.90679020 0.05452185 7.95195431 0.30050710 -0.40255452 -0.08777840 Ti 5.95065532 2.01713225 7.89427510 0.33881654 -0.56705585 0.83209104 Al 5.96782626 0.02794764 9.92662114 0.30198998 0.47507057 -0.52297612 Al 3.98683345 1.91055739 9.92204555 -0.13310213 0.38792539 0.03924560 Al 7.94598286 0.03414079 7.97203966 -0.12793979 -0.05575764 -0.22923686 Al 9.89594634 1.96879155 7.91024345 0.03780235 0.33402239 0.11474461 Ti 9.90155790 0.00701130 9.95683537 -0.32409076 0.44357671 -0.29344542 Al 7.95883403 2.05149837 9.90623580 -0.38744487 -0.25782798 -0.15627858 Ti 0.02118777 3.96000686 7.96418115 -0.64369127 0.03454319 -0.38452577 Al 1.99888340 5.98483271 7.92619403 -0.27588327 -0.10934581 0.16092241 Ti 1.97213807 3.95186428 9.88216891 0.56001645 0.24184010 0.79616281 Al 0.01948803 5.92553422 9.90405296 0.13040212 0.19078067 -0.09828662 Ti 3.98508320 3.98587538 7.89584082 -0.33038260 -0.38153896 0.55960607 Ti 5.91815725 5.93970316 7.95643557 0.74274755 0.32089217 -0.45599022 Ti 5.92518176 3.96742929 9.92123816 0.25850309 -0.54576162 0.54659389 Al 4.00106214 5.92465107 9.88320179 -0.68761489 0.68251878 0.60562994 Al 7.96534893 3.99351243 7.94857837 -0.52002880 -0.54019442 -0.84910033 Ti 9.95195200 5.91092404 7.94585450 0.65358974 0.59676535 -0.31998062 Ti 9.89717690 3.98765632 9.89403421 0.61978757 -0.23498339 0.30864827 Ti 7.95014225 5.92731181 9.89592272 -0.40309257 0.56286822 0.71867055 Al 0.00303833 7.93030891 7.95631440 0.25672293 -0.36565272 -0.16814304 Al 1.95577522 9.92059758 7.95942911 0.45797504 -0.21740755 -0.04074470 Al 2.01448066 7.89762128 9.91396896 -0.09874627 -0.25887159 -0.22096011 Al 0.00142139 9.89415912 9.87758175 0.33141224 -0.26750647 -0.23860251 Ti 3.98287982 7.92804514 7.90800897 -0.36317265 0.44421461 0.10824905 Al 6.01453072 9.95560445 7.95447380 -0.17902434 -0.22936887 -0.22705208 Al 5.91339571 7.96622428 9.90874403 0.70869044 -0.40910590 0.14881510 Ti 3.94879701 9.88331497 9.90755969 -0.07222936 0.18456410 -0.07916586 Ti 7.98422845 7.93007836 7.92588565 -0.45788027 0.02470901 0.13811850 Ti 9.91936378 9.89909143 7.91758369 -0.11650770 0.08027976 0.07519454 Ti 9.91123936 7.94129653 9.93864812 -0.11363593 -0.09437312 -0.13561866 Al 7.91974230 9.93304691 9.90786541 -0.05286316 -0.43768189 -0.38072658