108 Lattice="12.136459006383399 0.0 0.0 0.0 12.136459006383399 0.0 0.0 0.0 12.136459006383399" Properties=species:S:1:pos:R:3:forces:R:3 energy=-459.19624931045325 stress="-0.00367899762102736 -0.00015096824973594684 0.0005090505832818598 -0.00015096824973594684 -0.004019999873866107 0.0006735677587900773 0.0005090505832818598 0.0006735677587900773 -0.004167995844556711" free_energy=-459.19624931045325 pbc="F F F" Ti 0.03952352 0.00649987 0.02829208 0.23667604 0.21100487 0.18328098 Ti 2.04631818 2.00073042 0.02148499 -0.23047462 0.20166339 -0.47210308 Ti 2.04600450 0.03887544 1.99461792 -0.05731611 -0.51187229 0.28175320 Ti 0.01501651 1.99474847 1.99662709 -0.26589027 0.23932267 0.21908894 Ti 4.06855559 0.02392604 0.01940363 -0.01052294 -0.10117741 -0.14788988 Ti 6.10475973 2.01141110 0.00199297 -0.23170500 0.30204919 -0.36206607 Ti 6.06767174 0.03100096 2.00745247 0.10003413 -0.46717675 0.12671701 Ti 4.03847915 1.98914372 2.00631069 0.18600867 0.46142437 0.18836364 Ti 8.06302448 0.02802657 0.03495311 0.14181295 -0.08508478 0.02086092 Ti 10.12499460 1.98686896 0.00938279 -0.16951443 0.23978072 0.24018073 Ti 10.13342921 0.00039993 2.02944992 -0.33927593 0.21122527 0.14486537 Ti 8.05719550 2.03988152 1.99890469 0.40401735 -0.05998880 0.34850149 Ti 0.00425149 4.08062334 0.03431846 0.06284609 -0.27350020 -0.16608046 Ti 2.03045575 6.09788746 0.00381604 0.11524512 -0.18733010 -0.40396528 Ti 1.98381772 4.05892425 2.00221172 0.30279716 -0.11727910 0.23736812 Ti 0.02345552 6.04891601 1.99479909 -0.39350469 0.22232240 0.39190313 Ti 4.01571434 3.99305686 0.02399371 0.15345146 0.25219244 -0.21450330 Ti 6.05374201 6.08220340 0.00001934 0.01710549 -0.17090719 -0.28386414 Ti 6.06469592 4.07099876 2.04067396 -0.05457753 -0.29646268 -0.12969140 Ti 4.07356795 6.08243489 2.04060897 -0.36389505 -0.18810010 -0.12459030 Ti 8.11871746 4.03408442 0.03052863 -0.13681461 0.01828337 -0.33049407 Ti 10.07062138 6.07498851 0.03419427 0.12786500 0.06609766 -0.00603309 Ti 10.12673918 4.05532222 2.06816220 0.34524817 -0.26191384 -0.20605844 Ti 8.12741758 6.06438825 2.01392221 -0.21844696 0.08992769 0.16261679 Ti 0.01836167 8.11818374 0.03773649 -0.12472477 -0.26138500 -0.06799321 Ti 2.00309506 10.08233524 0.02406498 0.27454860 0.10881593 0.07580679 Ti 2.01622482 8.06639955 1.98256864 0.01947627 0.25235600 0.40317715 Ti 0.00607387 10.13064850 1.99959070 0.16595286 -0.10172682 0.27201085 Ti 4.00610296 8.09790108 0.02501738 0.31662971 0.08866559 -0.32992628 Ti 6.10190298 10.12493860 0.01187602 -0.12654111 -0.20428164 0.14775326 Ti 6.06565382 8.06322113 2.03176774 0.09021785 0.35547620 -0.06273891 Ti 4.06929451 10.11960598 2.04991247 -0.05552237 0.22960415 -0.17354549 Ti 8.06548831 8.07816265 0.03029707 0.08797490 0.08401941 -0.37787190 Ti 10.09609519 10.13833903 0.03363542 -0.28577160 -0.39063056 0.19699081 Ti 10.09613911 8.12473234 2.03176685 0.39640100 -0.19524971 0.01781941 Ti 8.12263657 10.11068329 1.98900553 -0.27781818 0.36171660 0.35700631 Ti 0.02668479 0.00887322 4.02163893 0.09655609 0.12170472 -0.06610316 Ti 2.06300553 2.04092746 4.05167629 -0.16989229 -0.17112100 -0.20906955 Ti 2.01477471 0.00429833 6.03760444 0.27403997 -0.20388454 0.07744728 Ti 0.02616998 2.05109850 6.03543718 -0.36757530 -0.17868197 0.25754168 Ti 4.06599810 0.01838395 4.00571038 -0.18175040 -0.35950177 0.21122728 Ti 6.07044462 1.98640930 4.05233837 -0.09394868 0.50315723 -0.09838261 Ti 6.03302679 0.03373377 6.07209608 0.06731279 -0.45193070 0.08951904 Ti 4.03603006 2.04819593 6.12412984 -0.03521731 -0.17499774 -0.04661601 Ti 8.06909243 0.02574117 4.06381332 0.17305048 -0.33012530 -0.14294287 Ti 10.11511619 2.00202168 4.06028388 0.14238227 0.03014428 -0.19530409 Ti 10.13465508 0.02308068 6.07738289 -0.24016420 0.10926011 0.16468409 Ti 8.06058779 2.02085571 6.08905857 0.21434566 0.12270179 -0.03314413 Ti 0.01256454 4.01176656 4.07911631 -0.24426925 0.25000543 -0.30617016 Ti 2.04013383 6.09297824 4.04681927 -0.12394544 -0.24917576 -0.10794157 Ti 2.02037395 4.03042752 6.08610143 0.10558425 0.10646700 0.13100404 Ti 0.03965565 6.06531634 6.10794621 -0.31335410 0.12194847 -0.26262589 Ti 4.00738642 4.02150339 4.04564903 0.15234654 0.09452250 -0.12187202 Ti 6.07342091 6.06575890 4.00742236 -0.07562326 0.13562363 0.25878483 Ti 6.04243009 4.06435782 6.04981790 0.22331142 -0.15635603 0.12009047 Ti 4.04554037 6.05100532 6.09564575 0.16192409 -0.01376071 -0.33842305 Ti 8.11536587 4.04637119 4.02371368 -0.25565948 -0.20437219 0.12742058 Ti 10.10602328 6.06519588 4.06620007 0.28383119 0.29516023 0.00594300 Ti 10.12695729 4.01564548 6.05148530 0.16376036 0.14110696 0.20076160 Ti 8.06324212 6.06640071 6.04630916 0.34148720 0.00883860 0.19048965 Ti 0.03176184 8.11871161 4.02313350 -0.22370542 -0.12584035 0.07596562 Ti 2.03623492 10.12839346 4.04594985 -0.13046991 0.26084918 -0.17812998 Ti 2.09258392 8.05266273 6.04739307 -0.43367424 0.30193445 0.15578441 Ti 0.06485420 10.11611871 6.10268027 -0.00265390 -0.14472501 -0.18027182 Ti 4.00641245 8.12612898 4.01198658 0.33161967 -0.24907530 0.17456519 Ti 6.08378972 10.10298674 4.09528233 0.05135444 0.28268689 -0.18246107 Ti 6.09436059 8.08203226 6.07419125 -0.18263429 0.10320055 -0.15649403 Ti 4.01428024 10.10781142 6.08495931 0.16950386 0.29421534 0.03789640 Ti 8.08926350 8.12216434 4.02157265 0.12435924 -0.16301741 0.10533635 Ti 10.14150109 10.10225628 4.06816570 -0.13713694 0.00160296 -0.10680394 Ti 10.14523811 8.12384803 6.09610323 0.09611939 -0.36516092 -0.09243817 Ti 8.13139901 10.10382555 6.10380308 -0.23539534 0.21545982 0.08210780 Ti 0.02686699 0.00898588 8.04767719 0.10865737 0.17808657 0.08055097 Ti 1.98903270 2.01344764 8.11102221 0.21926126 0.08017901 -0.04711420 Ti 2.06078047 0.00494853 10.11705506 -0.16781660 0.11374801 -0.15829486 Ti 0.00184422 2.05542930 10.11703208 0.20585225 -0.03825418 -0.16119561 Ti 4.06532823 0.00535327 8.11318907 -0.11518092 -0.25998585 -0.11639809 Ti 6.10360973 2.00810466 8.10627095 -0.20745853 0.32437574 -0.11534906 Ti 6.11023512 0.07971622 10.13694955 -0.07018867 -0.22389606 0.04125733 Ti 4.05270710 1.98369158 10.12676692 -0.18406437 0.26930257 0.24003985 Ti 8.07394635 0.01285486 8.11619171 0.25383600 -0.28318861 -0.14950137 Ti 10.11644053 2.05299847 8.10725313 0.21485136 -0.15645892 -0.04623848 Ti 10.14746254 0.04001213 10.09321866 -0.46290941 0.40212494 -0.35572908 Ti 8.07285016 2.05225704 10.11926505 0.35841776 -0.02711519 0.36869317 Ti 0.00634123 4.07878924 8.11225121 -0.31908666 -0.17625143 -0.12187019 Ti 2.05521754 6.06744154 8.07577058 -0.10938564 0.08324437 0.15798734 Ti 2.03688714 4.08435102 10.07643646 0.10359917 -0.29852557 0.40326488 Ti 0.02771457 6.04661187 10.14135387 0.06625114 0.25061367 -0.16660221 Ti 4.06678173 4.04511341 8.13184410 -0.02547100 -0.09091411 -0.06873869 Ti 6.05602037 6.10550322 8.10385647 0.06065288 -0.47484018 0.11922442 Ti 6.03854766 4.01160384 10.13483255 0.11054908 0.26514191 0.20141050 Ti 4.02284380 6.10769329 10.14719690 0.15537849 -0.04696985 0.23131589 Ti 8.12504374 4.04382624 8.12540011 -0.24485276 0.27389744 -0.22869391 Ti 10.15147466 6.10469822 8.12580780 0.08416256 -0.12699815 -0.19430590 Ti 10.12127942 4.05659700 10.13489099 -0.11135004 0.02987334 -0.04408725 Ti 8.06835665 6.09890924 10.13392675 0.02312798 -0.11273494 0.26750051 Ti 0.01836833 8.09956333 8.06943185 -0.14361671 -0.13090913 0.16681944 Ti 2.00271575 10.13102098 8.07952169 0.26674400 0.11181170 0.14875901 Ti 2.03372091 8.09333630 10.07856484 -0.06345363 0.10199577 0.15922318 Ti 0.01952054 10.12699997 10.10987365 0.32747443 -0.39197804 -0.35769989 Ti 4.06429584 8.07053286 8.05462974 -0.28032429 0.15231112 0.11870941 Ti 6.03114943 10.10104173 8.12959189 0.41050307 0.38367636 -0.47851922 Ti 6.03218640 8.12456629 10.07950163 0.19686876 -0.26485540 0.56430421 Ti 4.08093753 10.09641783 10.06232715 -0.44383288 0.04553459 0.10212962 Ti 8.06809178 8.05329433 8.11961729 0.29081194 0.34349377 -0.08682904 Ti 10.11553597 10.07647678 8.09322529 -0.17624598 -0.05578778 0.15347898 Ti 10.13697709 8.10683732 10.13429084 -0.26170997 -0.08189010 -0.12303443 Ti 8.07416300 10.11285943 10.14826914 0.00213673 -0.24860175 -0.30249199