256 Lattice="15.957792028905207 0.0 0.0 0.0 15.957792028905207 0.0 0.0 0.0 15.957792028905207" Properties=species:S:1:pos:R:3:forces:R:3 energy=-998.6263696253662 stress="-0.0055299188237828605 0.0011043472298774334 -6.35056246276951e-05 0.0011043472298774334 -0.0057583374320043885 5.360137127784685e-07 -6.35056246276951e-05 5.360137127784685e-07 -0.006508407571803089" free_energy=-998.6263696253662 pbc="F F F" Al 0.02130517 0.02468342 0.02557720 0.53821871 0.30870615 0.26323009 Ti 2.00351374 1.99551523 0.00068562 0.04897666 -0.26795030 -0.48543083 Ti 1.97450787 0.03579261 2.04279407 0.32413892 -0.73965140 -0.53164008 Ti 0.00569741 1.96731400 1.96491676 -0.55206945 0.34156497 0.24574011 Ti 4.02737733 0.01232997 0.04234712 -0.37438474 -0.23927147 -0.04601018 Ti 5.95418311 1.97946828 0.00031236 0.21327237 0.34839187 -0.42595737 Al 5.99372745 0.03793598 2.05635719 -0.40926923 -0.61741620 -0.05530757 Al 3.97753174 1.99114198 1.97770622 0.37282773 0.13588998 0.63415127 Ti 7.96273421 0.03058213 0.03966067 0.12060595 -0.03899366 -0.06819254 Ti 9.99687843 1.95792469 0.01010575 -0.30718688 0.46897236 -0.37100597 Al 9.97336784 0.01476039 2.02285268 0.28692242 -0.15736177 0.11182542 Ti 7.95357176 1.98668736 2.00056248 0.49635937 0.17504421 0.10457719 Al 11.95824990 0.00623192 0.01587832 0.03405944 0.39570374 0.26699038 Ti 13.99633616 2.03413401 0.00572230 -0.37888097 -0.23527610 0.31858110 Al 13.98550086 0.01274936 2.01319928 -0.35401064 0.50092207 0.01814913 Al 11.93200683 1.92481135 1.96310204 0.22782039 0.33044070 0.79414472 Ti 0.04012494 3.99651545 0.02049713 -0.13752850 -0.00422550 -0.12083957 Ti 2.02380202 5.98152134 0.01083875 -0.25029766 0.35035081 -0.43099590 Ti 2.01798052 3.98146103 1.99550245 -0.24493308 0.22076266 0.32835451 Ti 0.00050564 6.01295759 1.98100851 -0.32414307 -0.25968001 0.23060074 Ti 3.94983912 4.00906049 0.01740022 0.45935461 -0.12207775 -0.52732370 Ti 5.99095286 5.98280676 0.03947521 -0.20217596 0.31149701 -0.71524293 Al 6.00407999 3.99167367 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0.31396675 -0.09519776 -0.52983500 Ti 6.03330875 10.03606199 0.01030538 -0.31961702 -0.32673459 -0.34447998 Ti 6.00149667 8.01985879 2.02151425 -0.32589306 -0.53891937 -0.37938453 Al 3.96410745 9.94056760 1.97624364 -0.43164804 0.74847205 0.18748455 Al 7.99215877 8.01653545 0.01328837 -0.12967551 -0.18701990 -0.24245447 Al 10.00259101 9.94771069 0.00922077 -0.62252058 0.86939331 -0.27221133 Ti 9.93583459 7.99979449 1.96192138 0.64985152 -0.49407001 0.27931921 Al 7.99146029 9.93393474 2.02673903 0.36417523 1.22754730 -0.35552997 Ti 11.93319710 8.00662786 0.01255692 0.58163424 -0.60344690 -0.24804449 Al 13.99961505 9.93437621 0.01948623 -0.42727284 0.36621104 0.28908951 Al 13.97409225 7.99510678 2.01344802 -0.18543349 -0.26201993 0.01274115 Ti 11.98377004 9.95677007 1.97816044 0.16304635 0.12037833 0.35938826 Al 0.03763103 11.94544255 0.01915933 0.44028791 0.05855624 0.34300581 Ti 2.03688953 13.98915533 0.02195474 -0.25373672 -0.39345290 0.28351183 Ti 2.02479849 11.95546247 2.01340570 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3.97420670 -0.31713821 -0.10125802 0.40870941 Ti 1.97711779 1.97465872 3.96177122 0.49670103 0.45353949 0.46264428 Al 2.04687186 0.03083524 5.98208668 -0.12685324 -0.08267130 -0.04074171 Al 0.03774945 2.01219627 5.95736234 -0.15870836 -0.15494063 0.34355823 Al 3.95277005 0.04395111 4.01497163 0.26976941 -0.23084262 -0.12747103 Ti 5.96916910 1.97659380 3.99410787 -0.14589574 0.46250850 0.05186883 Al 5.94358617 0.04732068 5.97167561 0.03379153 -0.14057741 0.27002797 Al 3.98428106 2.02490126 6.01237873 -0.30580748 -0.56003937 -0.26996559 Ti 8.01820385 0.00412180 4.02585594 -0.13621426 -0.36864348 -0.08607065 Al 10.00040173 2.02671480 3.97443077 0.21510666 -0.22337153 -0.32070753 Al 9.94163609 0.02407446 6.05119489 0.38468101 -0.03357137 -0.19760528 Al 7.99953655 1.99143572 5.97159284 0.23930015 -0.16854571 0.41120630 Al 11.99388714 0.00926003 4.01105193 -0.51117028 -0.05383101 -0.10737130 Ti 13.95481846 1.96679334 4.00596767 0.15752897 0.19221486 -0.53151762 Al 13.97742596 0.03287935 5.97278918 -0.41085417 0.31633367 0.23373178 Ti 11.93485530 2.02691825 5.95689035 0.19037219 -0.66955749 0.49510725 Ti 0.02603539 3.95652002 3.99812279 -0.38814373 0.34480921 -0.21309046 Al 2.02704024 6.02334043 4.01789410 -0.02065057 -0.79455966 -0.35002113 Al 1.96112725 3.96499249 6.02083621 0.51119115 0.22697662 -0.44445449 Ti 0.02041444 6.02112230 6.00537936 -0.53305520 -0.29389211 -0.29062700 Al 3.95549040 3.97449337 3.98015707 0.20881651 0.24976607 0.19056285 Al 5.99353688 5.96826908 4.01967609 -0.20924248 -0.23895449 -0.43811903 Ti 5.96560501 3.97527392 6.01401407 0.25294156 0.13951644 -0.45956225 Al 3.97722253 6.00640369 5.99672225 -0.16712436 -0.36592131 -0.45969328 Ti 7.96882697 3.95296230 4.02467773 0.10336673 0.53542551 -0.43851624 Ti 10.01196296 6.01709919 3.96427289 -0.72728560 -0.47651731 0.22413563 Al 9.93586966 3.97328756 6.02191877 0.37028091 0.17625248 -0.13708321 Al 7.96222848 6.01505724 6.00488593 0.68799356 -0.22959565 -0.03473570 Al 11.94274643 3.98936190 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9.93901425 3.95158433 13.93135994 0.21924159 -0.17390275 0.18223855 Ti 8.01605906 5.94988526 13.98156731 -0.22182109 0.32386220 0.34960148 Ti 11.95221041 3.99653836 11.96299349 0.35830442 -0.25898510 -0.18553625 Al 13.90544249 5.94762004 11.94932347 0.15737262 0.22623187 0.10250834 Al 13.92749569 3.98178095 13.99913303 -0.40887868 -0.14222240 -0.43933939 Ti 11.94723279 5.98235538 13.96199593 0.11067671 -0.10974247 0.43814353 Ti 0.02789647 8.01789292 11.94639188 -0.54831150 -0.62366769 0.28086452 Al 1.98985048 9.94117069 11.96326729 0.36266369 0.97765295 -0.57549169 Ti 2.03937750 7.99016640 13.93845874 -0.28453230 -0.35415756 0.57460083 Ti 0.00328334 9.94101681 13.97031164 0.05501249 0.11696233 0.04385555 Ti 4.00783965 7.98813114 11.96302106 -0.27488774 -0.41085774 0.45027035 Al 5.95449157 9.93432392 12.00085665 0.64911784 0.65133442 0.26690038 Al 5.99235425 7.95976200 13.98090590 0.04264112 -0.08181879 -0.14397778 Ti 3.96855757 9.94218932 13.95683217 0.36744180 0.25329369 0.54141967 Al 7.96982761 7.97290010 11.98839010 -0.36078685 0.34470051 0.23401367 Al 9.96285559 9.98556528 11.95067212 -0.22820042 0.51202639 0.37722751 Ti 9.95182997 8.03677905 13.95592845 0.23301418 -0.33225751 0.59932785 Al 8.00329411 9.93784825 13.98409485 -0.46621469 0.51209778 -0.36497782 Ti 11.95285500 8.01671286 11.95235191 0.29853006 -0.33074846 0.06921554 Ti 13.96549005 9.98656326 11.95809071 0.58341550 0.27116889 -0.07425884 Ti 13.96732377 8.01752641 13.95729768 -0.08822376 -0.35510661 -0.17351279 Ti 11.98820441 9.97330789 13.96655134 -0.36126244 0.42985475 0.42017809 Ti 0.00348332 11.93563837 11.97975712 -0.17626211 0.31253475 -0.09967735 Ti 1.99891411 13.96759738 11.99925391 -0.20837661 0.16292949 -0.31881486 Ti 2.01777136 11.97567052 13.95084804 -0.29704567 -0.28720643 0.37651303 Ti 0.00267914 13.99442178 13.98206339 0.59065833 -0.68919249 -0.62343549 Al 4.01020977 11.93755187 11.95345708 -0.42350287 -0.29139509 -0.13531877 Ti 6.01581769 13.98505965 11.95038780 -0.32567047 0.20650361 0.32168572 Al 5.96100686 11.97412430 13.98261179 0.20675840 -0.28790666 -0.29446300 Ti 3.96204177 13.91090305 13.94343173 0.22325295 0.27403474 0.03008417 Al 7.94625082 11.97077645 11.97501655 0.26478436 -0.54257387 0.55412675 Ti 10.02137055 13.92418719 11.94944824 -0.24033055 0.33276362 0.48211621 Al 9.93921691 11.95962354 13.99677442 0.46375154 -0.25861389 -0.43049677 Ti 8.00349314 13.97970984 13.97004338 -0.07823712 -0.18899432 -0.21684493 Ti 11.98218804 11.94534427 11.94113780 -0.21270572 0.42070939 0.59551555 Al 13.98475639 13.96303488 11.96123099 -0.54135194 -0.37120581 -0.14311437 Ti 13.94743839 11.99710488 13.92334235 -0.21843454 -0.11120088 -0.13853948 Al 11.97207028 13.99257580 13.93574176 -0.26454068 -0.58943502 -0.39458555