108 Lattice="11.89117644291258 0.0 0.0 0.0 11.89117644291258 0.0 0.0 0.0 11.89117644291258" Properties=species:S:1:pos:R:3:forces:R:3 energy=-400.3212833822141 stress="-0.005633290738668625 0.0012557961038995194 -0.00014547942868409 0.0012557961038995194 -0.0078619907623308 0.0006540183395731212 -0.00014547942868409 0.0006540183395731212 -0.007880033473067836" free_energy=-400.3212833822141 pbc="F F F" Ti 0.03182856 0.02333526 0.01397469 0.28860155 0.48567813 0.29963515 Ti 2.01382969 2.00397909 0.03835210 -0.30056573 -0.29569113 -1.16430394 Al 2.01702150 0.03916236 1.96412653 -0.11933956 -0.44770198 0.69107969 Ti 0.01590085 2.01411997 1.97936129 -0.68889194 -0.65843583 0.34163784 Ti 3.94826651 0.02319428 0.00134657 0.38017290 -0.09173891 -0.22119487 Al 5.94065277 2.02261613 0.04055869 0.33066210 -0.24439239 -0.07928621 Al 5.99557582 0.01200313 1.95613088 -0.13878027 0.19335947 0.09658418 Al 3.94642173 1.99085904 1.96873942 0.22064063 -0.31928636 0.69223915 Al 7.92398063 0.02354000 0.02996936 -0.30177127 0.33932910 0.27792848 Al 9.93887200 1.94276605 0.02941727 -0.36730006 0.42881133 0.37237385 Al 9.87718502 0.02213107 1.98060146 -0.30528910 0.18895189 0.41392628 Al 7.94490347 1.99530755 1.98887164 -0.25363084 0.32224450 -0.21964292 Ti 0.00375891 3.92736981 0.03124586 -0.27634879 0.30708599 -0.44036277 Al 1.98140274 5.97428196 0.03913479 0.31341610 -0.05373215 -0.22738743 Al 1.95069321 3.95144298 1.94557580 0.82580951 0.68114400 0.74167518 Ti 0.03839899 5.98284639 1.99610083 -0.89199824 -0.23021978 -0.23549283 Ti 3.94801167 3.94196771 0.03732147 0.08079474 0.43756021 -0.87097797 Al 5.92937324 5.91793045 0.02252826 0.21192389 0.39700849 -0.23972677 Ti 5.90821124 3.98793245 2.01696086 0.63554914 -0.54226484 -0.18465780 Al 3.98139542 5.93680368 1.99926793 -0.30937315 0.64396943 -0.14847707 Al 7.95125483 3.97190613 0.01323571 -0.23843549 -0.33105830 0.16652637 Ti 9.93840482 5.96422680 0.05139357 -0.02802827 0.20198775 -0.20234455 Al 9.93692410 3.98889734 2.00009837 0.11290665 -0.64169988 -0.20539709 Ti 7.96050383 5.92346644 2.00151911 -0.58023305 0.25214692 -0.17837279 Al 0.03072955 7.93515799 0.01322633 0.12491257 -0.16604857 0.24632125 Ti 1.97433556 9.93304621 0.03057808 0.44803393 -0.19132764 0.06974251 Ti 1.98468316 7.92898046 2.01575545 0.37495899 0.14629488 -0.49593360 Ti 0.07066227 9.94103611 1.98513379 -0.11572096 -0.13921680 0.17573210 Al 3.95472450 7.94814168 0.03718880 0.21811342 -0.19745404 0.19459374 Al 5.97577262 9.90549159 0.01438533 -0.19598745 -0.07155909 0.19748710 Al 5.98355059 7.93946523 1.94923064 -0.69896684 -0.13323878 0.44134478 Al 3.94717856 9.90069787 2.05431001 0.14468786 0.21191315 -0.29136205 Ti 7.90985927 7.94593143 0.02516014 0.20373770 -0.36255519 -0.69119563 Ti 9.88538887 9.91022884 0.02443999 -0.24422872 -0.38563039 0.12452997 Ti 9.89732551 7.96626468 2.01993434 0.47279942 -0.04612316 -0.14448560 Al 7.92259519 9.93144383 1.96490816 -0.48645170 0.23383027 0.53301388 Al 0.01533237 0.00275134 3.96629057 0.29319745 0.40182080 -0.34546263 Ti 1.94862891 2.01122827 3.99185231 0.15915412 -0.63480854 -0.41803007 Al 1.95223227 0.01820298 5.93104243 0.15454993 -0.17944944 0.37485960 Al 0.02008554 1.97488079 5.96668023 -0.58151217 -0.41228875 -0.07190994 Ti 3.98038602 0.02156283 3.96833474 -0.49541929 -0.61428330 -0.30824242 Al 5.92438884 1.95596900 3.95303296 0.19387098 0.51935493 -0.75332823 Ti 5.91886276 0.01028840 5.91124754 -0.07643178 -0.77063638 0.66080694 Ti 3.94950932 1.97087879 5.98112875 -0.09627570 -0.04983166 -0.21759818 Ti 7.89281192 0.02610421 3.98720057 0.53396788 -0.77326666 -0.53675220 Ti 9.90715950 1.99346363 3.97151185 0.54966814 -0.23256935 -0.40324189 Ti 9.93705233 0.01305624 5.97859310 -0.02564270 -0.22326576 -0.14724895 Ti 7.92941097 1.94750263 5.93520766 -0.11437176 0.65003403 0.37651390 Ti 0.00474614 3.96383990 3.99096735 -0.65841230 -0.03509477 -0.07300767 Ti 1.94706946 5.96075936 3.96444841 0.53353667 -0.39384638 -0.08079849 Ti 2.00097631 3.92986599 5.98508325 -0.30484616 0.44013746 -0.07620790 Al 0.03072518 5.94083154 5.97773662 -0.38029570 0.40348921 0.23275052 Ti 3.89466995 3.93617800 3.97373790 0.33563668 0.07313905 -0.34283287 Al 5.91460453 5.94019540 3.97463250 0.40752671 0.69299626 -0.28174450 Ti 5.94635619 3.95401684 5.94037308 0.39901817 -0.25338679 0.03638355 Ti 4.00160133 5.92376725 5.92219578 -0.49052950 0.48044132 0.41140251 Ti 7.93602893 3.99174151 3.99045006 -0.14197555 -0.47497983 -0.29925967 Ti 9.90540340 5.95776926 3.96078832 0.72158564 0.18669542 0.41882970 Al 9.94013234 3.92560224 5.93483749 -0.09022086 0.31429367 0.68508848 Al 7.91747495 5.97356801 5.93382595 0.04073530 0.14197296 0.81622037 Ti 0.01194318 7.90964126 3.95707432 -0.83467740 0.40880915 0.14824620 Al 2.01626098 9.89085406 3.98931147 -0.48264852 0.85688969 -0.41521486 Ti 2.00329468 7.91115043 5.91412596 -0.26480666 -0.20199155 0.99496411 Ti 0.00384293 9.89340106 5.97130474 0.00396295 0.01714673 -0.07150504 Ti 3.94373087 7.94829871 3.99321342 0.70373600 -0.47368133 -0.65207583 Al 5.96089532 9.89244653 3.96599225 -0.11645183 0.32513906 -0.39483276 Al 5.93010274 7.96160353 5.97951780 0.28401651 -0.34113957 0.36746408 Ti 3.92650879 9.89770896 5.92895679 0.38849799 0.77629166 0.55303612 Ti 7.90924643 7.94280791 3.98358478 -0.09917086 -0.17101456 -0.25744585 Ti 9.87051881 9.91619288 3.99503232 0.20767001 0.28116942 -0.24845789 Al 9.90005622 7.96623772 5.97148768 0.18666974 -0.52447066 0.25797849 Ti 7.92194907 9.92634974 5.91025681 -0.16823577 0.50365260 0.78709198 Al 0.01931643 0.02293634 7.94390358 0.10656041 0.12267077 -0.29302653 Ti 1.95317585 2.01916199 7.92601106 0.43064094 -0.64370320 0.10639386 Ti 1.97229254 0.00036225 9.91923538 0.24285759 0.29333116 -0.15285262 Ti 0.02851398 2.01755473 9.85888007 -0.22797627 -0.06937230 0.25059509 Al 3.92995184 0.04445704 7.91832833 0.20138814 -0.33661974 0.12341222 Al 5.91193061 1.99312596 7.93592217 0.35407900 -0.14156240 0.46284921 Al 5.93769654 0.01152708 9.94422986 0.06734086 0.43085777 -0.46879044 Al 3.97270017 1.99936931 9.85925615 -0.26387721 -0.13409582 0.18234322 Ti 7.87111569 0.02007929 7.91166533 0.18286660 -0.30989226 0.51301663 Al 9.88230151 1.98106418 7.89041787 0.12370937 0.39185466 0.35104931 Al 9.91049287 0.03648502 9.90331343 -0.55781951 0.38126471 -0.59261934 Al 7.91566366 2.03729566 9.88975278 -0.07647600 -0.17256814 -0.17342428 Ti 0.00256134 3.95051068 7.89849050 -0.70347381 0.26708720 0.33063478 Al 1.99464109 5.91407428 7.96109079 -0.23748602 0.87368772 -0.16603181 Al 1.99158470 3.94317981 9.90208321 0.18925371 0.14743856 0.29161225 Al 0.03828866 5.93386666 9.88114681 0.26879773 0.03342691 -0.22740418 Ti 3.97265814 3.98881751 7.91457760 -0.18953159 -0.37660772 0.27612512 Ti 5.92255525 5.90625165 7.95047344 0.79568006 0.80753350 -0.01776221 Ti 5.91479065 3.98758866 9.91922555 0.51702746 -0.13902848 0.74207003 Ti 3.94780642 5.92916999 9.92920700 -0.13769428 0.50123696 0.70837094 Al 7.92169533 3.95135839 7.96692793 0.37206728 -0.10003672 -0.37927704 Al 9.89538915 5.98869823 7.93408324 -0.31544662 -0.07112678 -0.25151375 Al 9.90701845 3.94239968 9.88420982 -0.31423110 0.16526681 -0.28015908 Al 7.96651137 5.99438453 9.93691127 -0.41311293 -0.21932180 -0.17658243 Al 0.00440981 7.93623282 7.92015769 -0.07575644 -0.68892070 -0.04898471 Ti 1.96402204 9.88667954 7.94917694 0.20550414 0.53981861 -0.13062069 Al 1.94858466 7.95423380 9.91946005 0.40301774 -0.74534406 -0.00389127 Ti 0.03312059 9.89773808 9.91908919 0.08274719 -0.07803225 -0.28898878 Al 3.96857165 7.93143727 7.96363558 -0.15550864 -0.42378064 -0.36932584 Al 5.91841638 9.91203632 7.93848262 0.34573965 -0.10310012 -0.29755556 Al 5.94794078 7.94600662 9.87978819 0.32611497 -0.38917564 0.09074002 Ti 3.96846153 9.89581866 9.89949958 -0.22131373 0.24955922 0.25286654 Al 7.93528447 7.95286405 7.95630700 -0.50059823 -0.41490419 -0.50358042 Ti 9.90226095 9.93945882 7.93609441 -0.19624174 -0.10892539 -0.02520188 Ti 9.91855776 7.96033730 9.91721516 0.03755812 -0.02154700 -0.14318354 Al 7.89416096 9.88863018 9.87498776 -0.18786286 -0.15277764 -0.25351112