256 Lattice="16.33910852023542 0.0 0.0 0.0 16.33910852023542 0.0 0.0 0.0 16.33910852023542" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1125.7634640728522 stress="-0.002847958806852396 4.087668424743859e-05 -0.00019525374669539448 4.087668424743859e-05 -0.0025826787219816873 5.8305934510951165e-05 -0.00019525374669539448 5.8305934510951165e-05 -0.0029283699218347697" free_energy=-1125.7634640728522 pbc="F F F" Ti 0.00277926 0.03909365 0.03031991 0.36655844 0.42092049 0.40063132 Ti 2.03949130 2.04519885 0.02130595 -0.02699129 -0.14649229 -0.24371513 Ti 2.02237603 0.00211632 2.03221142 0.12577524 -0.09218227 0.13623357 Ti 0.02652155 2.06938686 2.06958801 -0.27122023 -0.08203286 -0.15419671 Ti 4.10577194 0.00769768 0.02948569 -0.22345833 0.14913467 0.14831170 Ti 6.06796314 2.04630781 0.01457257 0.26966258 0.05988523 -0.14704108 Ti 6.13957846 0.03368676 2.01417271 -0.07316286 -0.22628355 0.29569314 Ti 4.05479499 2.04331454 2.07537963 0.10364949 -0.18257259 -0.07114312 Ti 8.16923157 0.01582068 0.02785320 0.09206704 0.23774031 0.04908161 Ti 10.24636003 2.07646765 0.00635067 -0.27628020 -0.09834829 -0.11683647 Ti 10.18452450 0.00834693 2.08269498 0.23657405 -0.15370392 -0.23694497 Ti 8.16550982 2.03708889 2.02253702 0.10352418 0.12503653 0.06201633 Ti 12.22817478 0.02942205 0.00537347 -0.01171734 0.18694729 0.34916144 Ti 14.27401734 2.06608998 0.03548247 -0.24398735 0.04841637 0.25590391 Ti 14.28672031 0.02795537 2.09211810 -0.28755708 0.30691549 -0.06893619 Ti 12.22572175 2.04968594 2.03041814 0.13856297 -0.16723386 0.06090305 Ti 0.03440094 4.11398711 0.02704712 0.09740038 -0.19004001 0.02069654 Ti 2.03174297 6.16613279 0.00503900 0.19676017 -0.15479614 -0.17876262 Ti 2.06388791 4.05092795 2.00730497 -0.01882583 0.30190308 0.23807400 Ti 0.04015737 6.09872903 2.02291121 -0.23183953 0.07750055 0.15422661 Ti 4.08539790 4.02982032 0.00205552 -0.02716998 0.30054008 -0.18616846 Ti 6.14102624 6.13816537 0.01529757 -0.09258412 -0.12017257 -0.33595558 Ti 6.15358631 4.10142033 2.05628517 -0.23700556 -0.20206061 -0.24058457 Ti 4.10321755 6.11190058 2.01443783 -0.28869826 0.01527243 0.11527283 Ti 8.13738780 4.10328588 0.01268041 0.11914531 -0.17523787 -0.23770858 Ti 10.18970639 6.15464533 0.00593057 0.11192944 -0.20165034 -0.25641548 Ti 10.20634451 4.11041754 2.04062908 -0.17239582 -0.10500847 -0.03235095 Ti 8.16031267 6.15510397 2.01199162 0.17211006 -0.20544574 0.30112139 Ti 12.23053206 4.09557189 0.00121203 0.17529670 0.12893140 -0.18892968 Ti 14.32218132 6.14352031 0.03969410 -0.27868488 -0.07685835 0.14994617 Ti 14.25544112 4.08813682 2.07887170 0.12677967 -0.01225090 -0.10243411 Ti 12.23448105 6.14409783 2.01018707 0.09908300 -0.00243656 0.28159475 Ti 0.00771936 8.17306929 0.01175687 0.12925233 0.13429833 0.15083701 Ti 2.08953577 10.23657558 0.02239178 -0.18150510 -0.17019259 -0.17549370 Ti 2.00790185 8.20272401 2.03479457 0.43278136 -0.09605520 -0.10347024 Ti 0.01668190 10.21571628 2.05774433 -0.30083449 0.03106396 -0.12893259 Ti 4.10725209 8.14529508 0.02077447 -0.09031035 0.13926380 -0.15447203 Ti 6.14992261 10.19044657 0.02870639 -0.04868253 0.05891059 -0.39976473 Ti 6.16255655 8.15370120 2.02966188 -0.22186894 0.03067539 0.13576231 Ti 4.12412804 10.24397556 2.01340447 -0.16622271 -0.16543814 0.20618251 Ti 8.20244175 8.14259250 0.03538006 -0.10270824 0.26431702 -0.53730545 Ti 10.24673060 10.23349177 0.03346291 -0.30580747 -0.00583115 -0.34620849 Ti 10.19372969 8.18725677 2.02041504 0.11453213 -0.17190090 0.25410049 Ti 8.14878371 10.18713750 2.02461066 0.24462518 0.26330254 0.29750560 Ti 12.22877468 8.16657415 0.02563012 0.11733042 -0.06690386 -0.45043735 Ti 14.27864071 10.20758458 0.03041101 -0.20999917 0.15156734 0.02995149 Ti 14.28407518 8.20462031 2.00544700 0.26386689 -0.18778201 0.30010520 Ti 12.22730322 10.17152029 2.01114222 0.17168678 0.46508800 0.21225410 Ti 0.01780210 12.19792375 0.01988688 0.31295197 0.16878423 0.33269139 Ti 2.07500652 14.28362702 0.02286103 -0.17775346 -0.32446990 0.31113962 Ti 2.02209988 12.23793992 2.09433752 0.09372879 0.31484234 -0.35741931 Ti 0.00055029 14.33274493 2.06723029 0.26552258 -0.36995802 -0.16871102 Ti 4.05910144 12.24920406 0.03236884 0.22395830 0.05482381 -0.26495364 Ti 6.15651009 14.27588142 0.01341807 -0.13140339 -0.12574747 0.05638156 Ti 6.16396758 12.25294391 2.03774245 -0.25460273 0.04227752 0.23388097 Ti 4.10694505 14.27923089 2.00685519 -0.06256526 0.07880546 0.35859705 Ti 8.15096235 12.26314898 0.04016607 0.22479116 -0.16444795 -0.37590665 Ti 10.25106382 14.28390251 0.06708656 -0.11802579 0.06332609 -0.19544006 Ti 10.23072765 12.29489506 2.01049785 -0.20128729 -0.50413514 0.46460525 Ti 8.18441458 14.28176315 2.01062944 0.00652592 0.34786906 0.29074349 Ti 12.22024490 12.25924407 0.00534390 0.54760262 0.08122005 -0.08715591 Ti 14.32308467 14.33554874 0.00172592 -0.66187480 -0.63645529 0.64434517 Ti 14.32419971 12.22874690 2.06076768 -0.19789801 0.34272221 -0.22189466 Ti 12.21541049 14.26595472 2.07961687 0.65919583 0.10157986 -0.06099183 Ti 0.00248529 0.03591757 4.09520184 0.21090803 0.11225909 -0.00847918 Ti 2.00515677 2.05027539 4.09375528 0.18615624 -0.19041682 -0.12437414 Ti 2.06798908 0.03063996 6.15458302 -0.03715899 -0.19628214 -0.16265264 Ti 0.02388819 2.06787860 6.12267664 -0.27369707 -0.11924809 0.19482905 Ti 4.09384083 0.02153508 4.11175323 -0.13369387 -0.19967061 -0.19230023 Ti 6.12057067 2.04500949 4.07584690 0.12796101 -0.09018817 -0.08092449 Ti 6.16558760 0.02581147 6.10573667 -0.16174059 -0.05892153 0.05288599 Ti 4.06813573 2.08295813 6.09598681 0.13443376 -0.18474494 0.28781501 Ti 8.20422261 0.00987223 4.09103792 -0.21705394 -0.17564633 -0.02049717 Ti 10.23596812 2.00715554 4.10429057 -0.17904526 0.32626313 -0.17856972 Ti 10.25215577 0.01120602 6.09947024 -0.11621113 -0.20455937 0.20834718 Ti 8.19646847 2.09811575 6.10047812 -0.10922190 -0.23554576 -0.06244221 Ti 12.26769068 0.00524433 4.07844773 0.09627835 -0.31055934 -0.10198674 Ti 14.26956084 2.06488572 4.11676399 0.30041219 -0.05581299 -0.22428002 Ti 14.32323093 0.03969544 6.14268905 -0.07817763 -0.04208690 -0.12944212 Ti 12.28992998 2.00400520 6.08668646 -0.25988480 0.39144362 0.26746234 Ti 0.02507382 4.08614539 4.08250782 -0.29650294 0.12468716 -0.11098156 Ti 2.01547903 6.16510084 4.09772589 0.31897438 -0.26042237 -0.17726811 Ti 2.00392760 4.06858340 6.10140247 0.19890480 0.14966411 0.15456472 Ti 0.02162340 6.14894800 6.14153634 -0.27745499 0.00193486 -0.06020048 Ti 4.07044015 4.06257464 4.06359469 -0.22201697 0.19522119 -0.04615560 Ti 6.09574590 6.09761034 4.06677719 0.11218758 0.28737429 0.14254464 Ti 6.11336948 4.10067215 6.08842517 -0.00270530 -0.11586243 0.23044016 Ti 4.07611546 6.13526852 6.14489875 -0.14261811 0.09099564 -0.22246319 Ti 8.13070511 4.09419131 4.05135192 0.30398966 -0.11688647 -0.03937787 Ti 10.20930597 6.08258609 4.12335975 0.15282045 0.22093491 -0.34073517 Ti 10.18638949 4.10660448 6.14802941 0.32654160 -0.29336318 0.02985001 Ti 8.18636178 6.08878316 6.14454342 -0.41444692 0.16339392 -0.08327154 Ti 12.20869263 4.04963324 4.05953217 0.14126530 0.17672599 0.22387127 Ti 14.28969093 6.10589895 4.12202922 0.01878210 0.10003750 -0.35320877 Ti 14.29217484 4.09078525 6.12641371 0.10203962 -0.05886327 0.07106945 Ti 12.27622183 6.12540410 6.15528503 -0.03855337 -0.25123522 -0.17694475 Ti 0.03818362 8.17137406 4.04421084 -0.42660404 0.01748147 0.20385034 Ti 2.03191749 10.21293330 4.06767749 0.16778426 -0.08063770 0.20621784 Ti 2.04737069 8.18359919 6.14907246 0.20586316 -0.07724941 -0.13218162 Ti 0.03226785 10.18881569 6.15294756 -0.35979112 0.23247660 -0.37457484 Ti 4.10268712 8.18689439 4.06873078 -0.21327547 -0.05533277 -0.06305221 Ti 6.09242716 10.18209694 4.09793761 0.32799532 0.19179751 -0.20634605 Ti 6.13788183 8.19678569 6.13885276 0.09197370 -0.29878842 -0.17471070 Ti 4.11658388 10.25013397 6.14573786 -0.35976172 -0.31206078 -0.08642656 Ti 8.20126338 8.13153134 4.07152706 -0.14349603 0.07538705 0.20609043 Ti 10.21980193 10.19338281 4.09691313 -0.20644042 0.13302137 -0.13093602 Ti 10.24325877 8.13388161 6.11650301 -0.13579403 0.25538543 -0.18663454 Ti 8.13375795 10.23870136 6.16732242 0.08429910 -0.11985253 -0.23374506 Ti 12.27009064 8.20069714 4.04857152 0.03705151 -0.27548666 0.05584354 Ti 14.30286901 10.25620108 4.06166968 0.13639094 -0.23345696 0.11937893 Ti 14.30423114 8.14479182 6.09591282 0.15982069 0.28249010 0.14508724 Ti 12.23593585 10.18788264 6.17322861 0.29695437 0.09493217 -0.11640478 Ti 0.03723670 12.27261479 4.06480505 -0.34419803 -0.16891935 0.19019820 Ti 2.00480237 14.32248250 4.07361687 0.41346836 0.12073681 0.03819742 Ti 2.07365629 12.22388622 6.14789028 -0.19686565 0.27686393 -0.04946916 Ti 0.02549320 14.26672376 6.10138282 0.18584459 -0.16511730 0.09666977 Ti 4.05052334 12.23558272 4.11088505 0.14197801 0.30132352 -0.27692164 Ti 6.15317210 14.29574663 4.09955879 -0.08494980 0.04572217 -0.07876923 Ti 6.10751490 12.22073731 6.12948033 0.34335919 0.36539065 -0.07003443 Ti 4.11726819 14.28875266 6.14016090 -0.24836574 0.20231292 -0.10114068 Ti 8.17812040 12.28090022 4.10540530 0.03967545 -0.15386576 -0.13679612 Ti 10.24465670 14.30177908 4.08538415 -0.14075181 0.09511277 0.12384816 Ti 10.17911357 12.21386507 6.15955166 0.22582399 0.30606689 -0.24907328 Ti 8.20601935 14.32014242 6.16124530 -0.19150262 0.11890442 -0.26707078 Ti 12.24819180 12.20487484 4.11088157 -0.03106118 0.21490891 -0.18647333 Ti 14.31493467 14.33046285 4.08747318 -0.29201915 -0.27967341 -0.17973820 Ti 14.27498999 12.28811093 6.09308267 0.15617995 -0.21631936 0.23079877 Ti 12.27084202 14.28439252 6.12146442 -0.22821828 0.08129388 0.00615757 Ti 0.03150111 0.01743855 8.15697245 0.04362079 0.19237034 -0.00876101 Ti 2.06370262 2.00474208 8.19371913 -0.20672739 0.35974036 -0.25617239 Ti 2.02604357 0.01487330 10.18449860 0.10982891 -0.42720191 0.23120575 Ti 0.03921422 2.02280542 10.25278531 -0.33808898 0.21036483 -0.17632353 Ti 4.09508719 0.01842880 8.19213523 0.05074349 -0.27539467 -0.22360077 Ti 6.14682429 2.01880887 8.19665733 -0.27590521 0.17669835 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0.22449734 0.43905425 Ti 2.02178179 8.14428511 10.22221572 0.29557483 0.08856569 -0.16421302 Ti 0.00739388 10.20986708 10.23852414 -0.18680729 0.09475390 -0.21051372 Ti 4.11408766 8.19105284 8.14637013 -0.43610661 -0.08108261 0.06601991 Ti 6.09147280 10.22216303 8.18002488 0.36444797 0.05389845 0.14583162 Ti 6.13215678 8.15020783 10.17299303 0.30376179 0.17990426 0.12636994 Ti 4.06899443 10.19258907 10.18653417 -0.11599281 0.07969625 0.18854842 Ti 8.18686312 8.16921530 8.13135368 -0.08894164 -0.00509939 0.18434863 Ti 10.18109127 10.23521142 8.14405395 0.06927596 -0.21079399 0.27473971 Ti 10.22571297 8.15217028 10.21872757 0.27238230 0.15454429 -0.15323416 Ti 8.20167450 10.19210369 10.21967405 -0.18760170 0.17139466 -0.14794530 Ti 12.23069003 8.14187088 8.14223434 0.20835427 0.10645411 0.34605113 Ti 14.28182128 10.22493354 8.20210420 0.19604893 -0.03652211 -0.40120062 Ti 14.27528767 8.19591198 10.21631309 0.14849806 -0.13302460 -0.09731564 Ti 12.26979848 10.24761489 10.19519740 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8.16146014 -0.20721023 -0.26562356 0.16008282 Ti 14.26739555 12.22091819 10.21953931 0.17855811 0.47350311 0.11927596 Ti 12.21771870 14.32572183 10.24593000 0.28298994 0.08486450 -0.14177579 Ti 0.02930625 0.00778801 12.26035886 0.24095312 0.14022133 -0.04634229 Ti 2.04874377 2.04017428 12.21760394 0.05878380 -0.19509318 0.44810437 Ti 2.03997260 0.02415531 14.32453606 0.18358331 0.30897091 -0.39832055 Ti 0.02071590 2.05043099 14.26059563 0.21990243 0.11162568 -0.22497787 Ti 4.09493509 0.01703025 12.22243700 -0.16625294 -0.06533909 0.06074263 Ti 6.16461691 2.05212177 12.23917973 -0.28510439 0.01286628 -0.01840454 Ti 6.13580245 0.03366085 14.25688101 -0.09384700 0.01505528 -0.07468092 Ti 4.11718788 2.04050678 14.28964427 -0.19051026 0.09928227 0.05681439 Ti 8.14145021 0.03149607 12.24972233 0.04470363 -0.38645348 -0.16435062 Ti 10.18294648 2.01016457 12.28546728 0.08432364 0.22454848 -0.13288002 Ti 10.18077095 0.01134676 14.26322259 0.10314983 0.04206410 -0.09810135 Ti 8.14308469 2.02526685 14.25805585 0.10983584 0.20550162 0.40035103 Ti 12.29217583 0.00511802 12.27050940 -0.12549618 -0.20938845 -0.08668921 Ti 14.26038103 2.01710949 12.23989529 0.20810313 0.19479564 0.08284632 Ti 14.29653126 0.01463687 14.32194472 -0.42693861 0.46770325 -0.42586403 Ti 12.22383808 2.02361590 14.28809767 0.16363849 0.07193618 0.22287087 Ti 0.04001422 4.11061737 12.26004354 -0.36836554 -0.12665993 -0.31273329 Ti 2.03863990 6.08588702 12.27232822 0.23414932 0.21158070 -0.13428168 Ti 2.00646579 4.11058575 14.27368788 0.33407963 -0.26796762 0.35612366 Ti 0.01028839 6.11774106 14.27034925 0.04734745 0.16257836 -0.03535815 Ti 4.06464204 4.05026806 12.26267651 0.24593403 0.14689710 0.14607732 Ti 6.14640001 6.16408859 12.23693519 -0.08339025 -0.12713370 0.26115085 Ti 6.15404454 4.11049706 14.32306751 -0.23110057 -0.15557100 0.07250097 Ti 4.12389802 6.14147068 14.32998248 -0.09924408 -0.09873527 -0.00929850 Ti 8.14214933 4.10232860 12.28791274 0.21140581 -0.19808647 -0.11408893 Ti 10.18826762 6.15362182 12.24525413 0.27973283 -0.20569299 0.25506143 Ti 10.19377736 4.09729523 14.27834792 0.00554414 -0.09263619 0.24254248 Ti 8.15702663 6.09242985 14.30175773 0.09536575 0.35805133 0.20533613 Ti 12.19123684 4.06222308 12.28145453 0.30789956 0.08936654 0.04300352 Ti 14.28182182 6.14058989 12.23935768 0.22249943 -0.12385308 0.20176536 Ti 14.32547526 4.08323257 14.27987369 -0.32811035 -0.14947035 -0.33279517 Ti 12.28273435 6.10122839 14.32669202 -0.10312326 0.10918816 0.06804483 Ti 0.03552191 8.12945144 12.22064420 -0.25850155 0.16190143 0.32345453 Ti 2.01258137 10.20541072 12.23896560 0.24586338 -0.18014972 0.23141523 Ti 2.06580050 8.14983207 14.28708676 -0.08918553 0.05957846 0.03166167 Ti 0.00748446 10.22026562 14.33737333 0.18288176 -0.16463474 -0.33839494 Ti 4.11436739 8.15652561 12.23371616 -0.19792893 0.09909766 0.16698161 Ti 6.16056231 10.17438705 12.28550196 -0.20348753 0.17146294 -0.24778907 Ti 6.14991642 8.18804115 14.32219121 0.14182364 -0.12562447 0.13902773 Ti 4.09491735 10.18665484 14.29995733 -0.16742611 0.15750986 0.06132772 Ti 8.20616620 8.16580273 12.24220367 -0.31544338 -0.10801613 0.11967714 Ti 10.18904809 10.18968345 12.25936372 0.47555125 0.21546514 -0.13070812 Ti 10.19345859 8.19079138 14.28840072 0.15826210 -0.26162069 0.26113979 Ti 8.20836433 10.21324761 14.27155251 -0.24110923 0.02760394 0.41459383 Ti 12.27418077 8.13482156 12.29014689 -0.14463170 0.14055084 -0.11930518 Ti 14.26293747 10.19925245 12.22464384 0.23594032 0.12350894 0.23392566 Ti 14.31195176 8.19571933 14.30917936 -0.17050702 -0.08443579 -0.20482512 Ti 12.26159315 10.20380784 14.27429225 -0.11035424 0.10774033 0.16965970 Ti 0.02685770 12.22104355 12.24783479 -0.28428888 0.32781725 0.11334298 Ti 2.01966679 14.30890046 12.25893052 -0.08349163 0.17591159 0.18059566 Ti 2.00154672 12.23389230 14.27838408 0.15681994 0.15925599 0.19905656 Ti 0.01004784 14.32869947 14.31832280 0.46938088 -0.56284553 -0.53960474 Ti 4.04802178 12.25988275 12.26644963 0.14349963 -0.16562637 0.05279088 Ti 6.10653678 14.28811551 12.26761580 0.02064558 0.15026798 -0.16323004 Ti 6.10025839 12.27150509 14.27242922 0.08244966 -0.15208486 0.24045060 Ti 4.06679669 14.28900959 14.27943440 -0.16801364 -0.15723390 -0.13395586 Ti 8.17550169 12.23647435 12.28648925 -0.04728337 0.23733277 -0.26872682 Ti 10.23988093 14.26710533 12.24840237 -0.28908029 0.22102129 0.11095982 Ti 10.17281171 12.25647905 14.31051321 0.13182870 -0.00723788 0.17438833 Ti 8.13216510 14.31842492 14.27265655 0.12441543 -0.19693651 -0.17922262 Ti 12.23972507 12.25879081 12.28882883 0.07928454 -0.14101660 -0.11893400 Ti 14.28681316 14.28803873 12.28488451 -0.30983726 -0.25413274 -0.24297185 Ti 14.26805112 12.27732426 14.28534025 -0.19030747 -0.21604677 -0.19705382 Ti 12.19943175 14.26806005 14.27560338 0.03653650 -0.10211495 -0.07516292