108 Lattice="11.897851791971611 0.0 0.0 0.0 11.897851791971611 0.0 0.0 0.0 11.897851791971611" Properties=species:S:1:pos:R:3:forces:R:3 energy=-400.97107909234325 stress="-0.005229890413646281 -0.0005610114079747519 6.712753265333559e-05 -0.0005610114079747519 -0.006334370069270429 -0.0012561835732594264 6.712753265333559e-05 -0.0012561835732594264 -0.00793628025065379" pbc="F F F" Al 0.01241513 0.01240844 0.02621182 0.46305829 0.23869667 0.28568000 Al 1.95165102 2.01856630 0.03285111 0.73222609 0.15257856 -0.32993530 Ti 2.01227048 0.02419069 1.97835067 -0.15586540 -0.38100977 0.11500134 Ti 0.02965247 1.98183910 1.95155267 -0.84816182 -0.22919589 0.52888056 Ti 3.99562765 0.01734662 0.02832432 -0.24353432 -0.01684027 -0.22394278 Ti 5.96947229 1.96851144 0.01425035 0.18824515 -0.00760510 -0.58661541 Al 5.95357884 0.02806896 2.01316962 0.20958035 -0.19884570 0.30216155 Al 3.98926203 1.98278299 1.97637553 -0.15327190 0.38568960 0.33494126 Al 7.95973473 0.02459119 0.03563882 -0.49818940 -0.01494273 -0.18906765 Al 9.90812846 1.99059351 0.03856158 -0.03475909 0.12184040 -0.29309528 Ti 9.88318064 0.03511591 1.98429831 0.29428325 -0.25779956 0.33669768 Ti 7.95687018 1.95159865 1.97136239 -0.45154404 0.27969742 0.38091629 Al 0.00256149 3.99617769 0.03963278 -0.03073800 -0.41746903 -0.24702451 Ti 1.96728631 5.93562688 0.02019705 0.45713968 -0.37206644 -0.73488372 Al 1.95851951 3.91599911 1.98565879 0.81839747 0.20212277 -0.25691261 Ti 0.02219904 5.91645865 1.94499835 -0.54628763 0.40724424 0.87542329 Al 4.00376494 3.94947592 0.01000564 -0.43146718 -0.13709072 0.20054600 Ti 5.92809680 5.94340373 0.03070555 0.36258862 0.35051267 -0.76490877 Al 5.97936541 3.95461122 1.95702578 -0.52432878 -0.32768566 0.79317290 Al 3.95639098 5.96253627 1.98434571 -0.51151521 -0.38754588 0.51286613 Ti 7.95065182 3.98412758 0.03248266 -0.04615207 -0.14114391 -0.88585695 Al 9.90905566 5.98430869 0.00429675 -0.20688264 -0.12348176 0.07734735 Ti 9.87985267 3.96501693 1.96313284 0.90677705 -0.10083554 0.14026234 Ti 7.91908739 5.93005920 2.00251524 0.17276759 0.39172395 -0.53568700 Al 0.03508429 7.87696410 0.03362749 0.13088092 0.32526440 0.16193772 Al 1.96625045 9.91416141 0.00482767 0.30297855 -0.48531920 0.26805428 Al 1.98482120 7.91072614 1.94399231 0.06899835 0.56825649 0.92457484 Al 0.01086550 9.94615769 2.00125979 0.39815631 -0.65851317 0.39762627 Ti 3.94415593 7.89574746 0.03742999 0.08316672 0.54556699 -0.82442844 Al 5.93329071 9.92274064 0.02600274 0.17208892 -0.48070862 0.41762248 Ti 5.96238072 7.92996840 2.01452996 -0.22510398 0.35581426 -0.60725020 Al 3.95353327 9.90024662 1.95805877 -0.22960411 0.05552149 0.28895356 Al 7.95001784 7.92237894 0.00373544 -0.50498832 -0.02806294 -0.09561908 Ti 9.92815287 9.92322365 0.02102070 -0.37835227 -0.35649193 0.43858992 Ti 9.91383403 7.90275024 1.95322714 0.48449437 0.34768662 0.27589381 Ti 7.95649624 9.94945892 2.01681612 -0.16992146 0.29566195 -0.61446668 Al 0.03049285 0.01401371 3.98395060 -0.13821899 0.19074540 -0.33302338 Ti 1.96639334 1.99042305 4.00243103 0.31403275 -0.33068068 -0.49310906 Ti 1.92530709 0.02951460 5.97738085 0.44511547 -0.76581413 -0.30328241 Al 0.01497935 2.01000757 5.96425773 -0.46729914 -0.06777973 0.35973163 Al 4.00000309 0.02451815 3.94642275 -0.25595803 -0.13132602 -0.14926342 Al 5.92403549 2.01747763 3.97347890 0.26180243 -0.37249789 -0.84435329 Ti 5.94015148 0.03232499 5.96840163 0.47153720 -0.58308616 0.01908295 Ti 3.92901523 1.94901979 5.96937350 0.23267471 0.32414102 -0.22792485 Al 7.94857745 0.03816050 3.96676750 -0.35785514 -0.41547871 0.04340849 Al 9.89247419 1.95832891 3.99439098 0.48287193 0.21832640 -0.35560664 Al 9.89367961 0.03013035 5.94980802 -0.26992412 0.21811667 0.10554855 Ti 7.93786261 1.99209745 5.91754622 -0.07821795 -0.28243642 0.31540666 Ti 0.01769273 3.94113447 3.98590710 -0.59736764 0.26725569 -0.12743750 Al 2.01965344 5.96735642 3.97958654 -0.41154049 0.17253440 -0.67561293 Ti 2.00899260 3.96166910 5.97183587 -0.38172756 0.23986420 0.19974870 Al 0.00074032 5.95202206 5.95348432 0.03447857 0.12980563 0.30488723 Ti 3.92711814 3.95315030 3.95871471 0.39833667 0.06115407 -0.40600640 Ti 5.96154376 5.97131391 3.93432183 -0.32068487 -0.45990127 0.29918212 Ti 5.96656487 3.95079984 5.92240104 -0.08075646 0.59294959 0.24437938 Ti 3.94042097 5.96206196 5.91424400 0.30788474 0.00519832 0.87512105 Al 7.94813300 3.95483764 3.92846659 -0.53523195 -0.30040286 0.23312584 Ti 9.88592245 5.93703875 3.94578198 0.88222742 0.17663330 0.12026628 Ti 9.89156746 3.93354202 5.94493753 0.77573731 0.08374715 0.01400799 Al 7.96616105 5.95778166 5.96027016 -0.38560827 -0.14057684 0.26441838 Ti 0.02355411 7.90361363 3.99047957 -0.44827564 0.58867019 -0.78968264 Al 2.02714384 9.94164656 3.98292768 -0.11093873 -0.20059599 -0.45648740 Al 1.94387503 7.98018419 5.91390165 0.42128936 -0.31425624 0.78164454 Al 0.03811220 9.95432825 5.91276862 0.27473449 -0.31670012 0.20329905 Al 3.93024732 7.93517875 3.99524174 -0.50502932 0.17447939 -0.86036141 Ti 5.93732992 9.92609850 3.92902663 -0.18245128 0.61475817 0.01631634 Ti 5.97247145 7.94056473 5.95353142 -0.15396526 -0.11684519 0.02888272 Ti 3.98517916 9.93285489 5.94544385 -0.32718126 0.47797342 0.28855203 Ti 7.91019277 7.92022312 3.94657835 0.39711780 0.15771965 0.22048988 Ti 9.87651079 9.91820911 3.99598518 0.28310454 0.01060781 -0.16015409 Ti 9.93230866 7.95918711 5.98374419 0.49565077 -0.26141108 -0.20137772 Ti 7.91726372 9.94541475 5.96386511 -0.04291471 0.53323926 -0.04430115 Al 0.01047972 0.03640780 7.92252963 0.05859376 0.18052804 0.17208130 Al 1.95202753 2.00459028 7.92308011 -0.19183508 0.10584369 0.43979242 Ti 1.98916812 0.02324874 9.94070430 0.06420696 0.24537385 -0.24504752 Al 0.02223078 1.99217132 9.90551919 0.36548863 0.21634647 -0.23587510 Al 3.92877562 0.02897037 7.89591786 0.04248929 -0.45808649 0.53420896 Ti 5.99468222 2.02003056 7.92416500 -0.15444163 -0.57259860 0.11737448 Al 5.92654614 0.01412002 9.93046026 0.16977861 -0.03641269 -0.44760830 Ti 4.00262906 1.96143388 9.87860950 -0.61558132 0.10921200 0.61213386 Al 7.96186647 0.03962030 7.96352445 -0.16507105 -0.32983742 -0.41972243 Al 9.89038712 1.98612125 7.90887603 0.35127857 -0.20010827 0.27092089 Ti 9.94111357 0.01409218 9.92770225 -0.40349012 0.50003593 -0.23279347 Ti 7.90325922 1.96022994 9.92007370 0.37505438 0.29159728 0.57236391 Al 0.00637087 3.95789279 7.91354599 -0.08393387 -0.10524136 0.04827263 Ti 1.94832905 5.92931450 7.97034368 0.32876474 0.68157357 -0.38681441 Al 2.00642718 3.98855722 9.88075644 -0.27858499 -0.56818769 0.37127345 Al 0.00340983 5.96443593 9.91294906 0.11738078 0.13482023 -0.14382915 Ti 3.98665868 3.93901866 7.97013004 -0.17576539 0.55234748 -0.41510025 Al 5.98357857 5.97883350 7.96446008 -0.50494997 -0.12282615 -0.25061963 Al 5.91384001 3.96866672 9.91879525 0.46726144 0.17061876 0.43991934 Al 3.98250758 5.94128716 9.94602794 -0.16061490 0.34355825 -0.23116651 Ti 7.96390922 3.94151154 7.92825218 -0.22387837 0.32425345 0.37188746 Al 9.93140025 5.92583854 7.92753973 0.08405892 0.30036270 0.12524996 Al 9.89049504 3.98686448 9.94876452 -0.21626198 -0.28947957 -0.33920481 Ti 7.89658008 5.93324194 9.94044378 0.37542936 0.22585149 0.32985378 Al 0.03687130 7.97134729 7.97052589 -0.13145888 -0.62327302 -0.92895339 Al 1.95938675 9.88586078 7.92789402 0.64992839 -0.08088555 -0.49173513 Al 1.94964808 7.95656286 9.87900091 0.64032204 -0.49918377 0.17209215 Ti 0.03912033 9.89077567 9.86147406 -0.19746986 0.31050036 0.26852769 Al 3.97537918 7.91489807 7.92320523 -0.35805965 -0.22293092 0.31481680 Ti 5.94738314 9.94726763 7.92929322 -0.09072357 0.30652344 0.32165005 Al 5.93854756 7.95135496 9.94929046 0.10985622 -0.21370916 -0.16819508 Ti 3.97084689 9.92392046 9.90033145 -0.26680822 -0.04342258 -0.08470292 Ti 7.95372398 7.96246198 7.94128494 -0.02787803 -0.30351523 0.43283639 Ti 9.93815543 9.94674230 7.90857505 -0.07207318 -0.01910059 0.19767161 Ti 9.94416802 7.95235154 9.94563872 -0.30482277 -0.31964369 -0.29077398 Ti 7.94074840 9.91573660 9.93738610 -0.05879868 -0.07025927 -0.17775578