256 Lattice="16.278792245085683 0.0 0.0 0.0 16.278792245085683 0.0 0.0 0.0 16.278792245085683" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1097.2767876837265 stress="-0.004068799634724344 0.00019345606563548573 -0.0004304000890826937 0.00019345606563548573 -0.0042290737203866694 -0.00021883982394084206 -0.0004304000890826937 -0.00021883982394084206 -0.004235663149265321" free_energy=-1097.2767876837265 pbc="F F F" Ti 0.01669166 0.02497311 0.01741928 0.78293895 0.80046246 0.79596260 Ti 2.06058900 1.98905675 0.03055051 -0.26796581 0.18574553 -0.50557933 Ti 2.04922881 0.02929706 1.98932213 -0.24355569 -0.58666946 0.09401541 Ti 0.02813062 2.02934307 2.02565982 -0.47372614 -0.17026970 -0.17227623 Ti 4.06902586 0.00968042 0.01744035 0.16000123 0.35656942 0.35730367 Ti 6.13310447 2.06975854 0.03095732 -0.16475241 -0.47981768 -0.63407876 Ti 6.13943159 0.01389898 2.05484440 -0.19452527 -0.36621699 -0.13783940 Ti 4.08212071 2.03475532 1.99791333 -0.10549852 -0.11495972 0.31164162 Ti 8.18760542 0.03903794 0.03395294 -0.23228266 0.12219243 0.10851697 Ti 10.18277487 1.99864650 0.03924905 0.24842421 0.10770228 -0.64774669 Ti 10.15886212 0.00351414 2.01765661 0.31053620 -0.39863273 0.18597132 Ti 8.13231184 2.00951141 1.99797578 0.09962778 0.10265781 0.55449938 Ti 12.21109476 0.03585213 0.00850962 0.17082262 0.52881859 0.62592434 Ti 14.26442607 2.01535066 0.02199008 -0.69424221 -0.00268782 0.72708193 Ti 14.23444017 0.03283782 2.07081622 -0.63323486 0.55892612 -0.13225380 Ti 12.19841240 2.03726562 2.04161878 0.42870150 -0.27756198 -0.17761539 Ti 0.03902004 4.01492091 0.00527476 0.45885647 0.06040739 0.42702942 Ti 2.05652403 6.10001669 0.00041509 -0.34917916 -0.16946653 -0.38181751 Ti 1.99978588 4.09219226 2.07137356 0.31546854 -0.26327271 -0.34129763 Ti 0.02769093 6.08030866 2.06573252 -0.49663793 0.05201569 -0.46038476 Ti 4.07890414 4.06654596 0.04046572 -0.25094229 -0.00965599 -0.49364351 Ti 6.07304036 6.13386788 0.01121757 0.22960909 -0.19897523 -0.28177014 Ti 6.10425878 4.04159163 2.00868771 0.22443854 0.36056724 0.17512262 Ti 4.03953813 6.13055832 2.01970062 0.11140183 -0.14827186 0.20584978 Ti 8.16615074 4.03991082 0.00453617 -0.14134023 0.22520720 -0.42262809 Ti 10.18678522 6.06382861 0.00515099 -0.06643349 0.21783492 -0.36547991 Ti 10.14596682 4.01709598 2.01918231 0.22926511 0.29321243 0.38278791 Ti 8.17911894 6.12366935 2.04755774 -0.32651868 -0.23642146 -0.16093471 Ti 12.24937429 4.07272701 0.02769592 0.06429897 -0.21718196 -0.28199996 Ti 14.20828775 6.12904469 0.03037316 -0.31362153 0.02018464 0.38841705 Ti 14.26532277 4.09193983 2.04720425 0.22726016 -0.17340260 -0.37902741 Ti 12.16763676 6.14303841 2.00919958 0.13871618 -0.25201682 0.14581993 Ti 0.03632758 8.10954859 0.00927444 0.38791300 0.05970253 0.48478823 Ti 2.02225103 10.19354748 0.03992461 -0.22422488 -0.02395601 -0.44321900 Ti 2.03681646 8.12467870 2.00809858 -0.14815822 0.17261011 0.19606248 Ti 0.01988527 10.18032543 2.06792764 -0.42998092 0.03989292 -0.33815675 Ti 4.03836738 8.13631519 0.00175235 0.08425061 0.22905893 -0.45693303 Ti 6.14087841 10.17616260 0.03610972 -0.33865128 0.27143305 -0.48945263 Ti 6.10989676 8.16389159 2.00636867 -0.03783785 -0.25545286 0.27392903 Ti 4.06862508 10.15601557 2.05801817 -0.04745588 0.25580065 -0.20539360 Ti 8.10667054 8.16833476 0.02504014 0.37752561 -0.22626013 -0.57060925 Ti 10.23876028 10.19469184 0.02682159 -0.22729843 -0.09060560 -0.49409277 Ti 10.13822655 8.17562490 2.04049850 0.47882549 -0.14210348 -0.15689020 Ti 8.16094361 10.16597501 2.02331138 -0.23975686 0.44826728 0.11246534 Ti 12.19414559 8.14384144 0.00055813 0.23669084 0.13744904 -0.21302317 Ti 14.27940559 10.18993025 0.02260537 -0.56560218 0.02860929 0.45419427 Ti 14.24723710 8.18127103 2.03299858 0.32783295 -0.22411749 -0.30810143 Ti 12.23907340 10.20326238 2.07198861 0.12945237 -0.27965466 -0.44996090 Ti 0.02032047 12.25329031 0.00712655 0.62103229 -0.02434526 0.64260776 Ti 2.06927867 14.22821071 0.02532232 -0.11294298 -0.57064964 0.65346786 Ti 1.99970122 12.17387671 2.06085542 0.11574989 0.45130746 -0.23747488 Ti 0.03880794 14.22600813 2.04155317 0.54099875 -0.55652355 -0.05379776 Ti 4.02726867 12.20004725 0.01945324 0.09228169 0.12821652 -0.31149095 Ti 6.08428409 14.25417383 0.02077623 0.06177549 -0.47672195 0.42535377 Ti 6.06846064 12.25954788 2.00401443 0.41295070 -0.26703936 0.25862491 Ti 4.08696659 14.20689137 2.07259784 -0.22630714 0.42117990 -0.25130644 Ti 8.16632907 12.21877776 0.03178602 -0.04958246 0.18405933 -0.34397274 Ti 10.15182678 14.26958713 0.01471060 0.18237226 -0.59201988 0.51234675 Ti 10.20803715 12.17712294 2.03589446 -0.13142109 0.55952456 -0.14015143 Ti 8.17456697 14.22392471 2.05592599 -0.16041780 0.24995549 -0.12646874 Ti 12.21898341 12.17973747 0.02348177 0.37032427 0.57600087 -0.21548716 Ti 14.25570486 14.25301836 0.03612944 -0.96879109 -0.95330856 0.94493002 Ti 14.28336816 12.21673942 2.03165549 0.07470454 0.32917885 -0.16772041 Ti 12.18009661 14.28062769 2.03644117 0.39110894 -0.01321348 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0.18260470 Ti 14.23823008 0.00887373 6.07169409 -0.45394627 0.44828805 0.06311086 Ti 12.22159150 2.04977773 6.13193665 0.20388304 -0.04319597 -0.28867178 Ti 0.03622180 4.06297398 4.08527770 -0.55123995 -0.22715566 0.04522065 Ti 2.00040088 6.11642234 4.09392622 0.55188983 0.12317517 -0.12763382 Ti 2.06408945 4.09792980 6.13511991 0.17046626 -0.42814486 -0.23122698 Ti 0.03793459 6.09093252 6.07720778 -0.59368924 0.20129085 0.24573413 Ti 4.10603632 4.08822051 4.03231438 -0.45908662 -0.20165855 0.17453405 Ti 6.08441961 6.08857965 4.03617566 0.25464929 0.28553840 0.10472482 Ti 6.12118832 4.03787393 6.08800328 -0.33417489 0.39725285 0.29704142 Ti 4.05106742 6.14613169 6.09985659 0.06802778 -0.26023072 -0.09085127 Ti 8.10308697 4.07119420 4.08920847 0.20486093 -0.08999597 -0.45587988 Ti 10.14921695 6.13943353 4.08275769 0.32991746 -0.21038102 -0.22859290 Ti 10.14185991 4.10920073 6.03475588 0.31981358 -0.25418644 0.37373405 Ti 8.14813443 6.09034669 6.13736600 -0.21518644 0.15825563 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0.30661547 Ti 10.20068576 8.12767888 6.12788423 -0.16279788 0.09582755 -0.25328961 Ti 8.17208903 10.20285431 6.07265199 -0.20233866 -0.45454826 0.18684046 Ti 12.24065075 8.13368523 4.04579211 -0.30911377 0.01882305 0.15759289 Ti 14.25143422 10.13957307 4.04947993 0.42553650 0.31383520 0.19916449 Ti 14.27912226 8.13540855 6.09760350 0.19864576 -0.02062136 -0.01237616 Ti 12.17385484 10.15687700 6.10229557 0.18223623 0.14884476 -0.05817768 Ti 0.00142658 12.21297296 4.10147720 -0.39076958 0.19776830 -0.18984188 Ti 2.06644782 14.21466129 4.04575224 -0.20241937 0.25196540 0.15977307 Ti 2.01182195 12.17581485 6.11888776 0.24908805 0.46219714 0.01751716 Ti 0.00919077 14.23315622 6.06858759 0.54861933 -0.42492521 0.12707979 Ti 4.10350420 12.16988575 4.10044448 -0.17253480 0.27497484 -0.16178034 Ti 6.11437823 14.27706894 4.10988947 -0.02811739 0.19656222 -0.29538273 Ti 6.13655887 12.22515534 6.07512661 -0.20138781 -0.13808630 0.40489877 Ti 4.06645758 14.21705138 6.13913596 -0.07559744 0.34073856 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0.43461852 Ti 6.08716583 0.02486190 10.18108904 0.15325849 -0.47467794 -0.09724461 Ti 4.08177695 2.06891660 10.23070043 -0.18043993 -0.17586605 -0.32994127 Ti 8.17904029 0.00310342 8.11318769 -0.19463899 -0.39255795 0.26423756 Ti 10.22078177 2.05653892 8.12200809 -0.20085345 0.14749259 0.20120173 Ti 10.13996621 0.00820657 10.15885853 0.13970210 -0.26425214 0.28051646 Ti 8.11582812 2.02731587 10.14700988 0.09975276 0.11685123 0.30832111 Ti 12.17929817 0.00828976 8.17293616 0.33212584 -0.39565202 -0.13295240 Ti 14.23581787 1.98867827 8.11297011 0.26805988 0.10910665 0.08085134 Ti 14.26688024 0.01546738 10.14560316 -0.50769348 0.37973675 0.14446366 Ti 12.24324901 2.02491286 10.20089235 -0.13868285 0.06216575 -0.16761321 Ti 0.00678818 4.03694155 8.11127309 -0.28234219 0.21672220 0.28212208 Ti 2.02653350 6.12565304 8.13266391 -0.00631170 -0.14827339 0.22719047 Ti 2.06956194 4.04678199 10.16938998 -0.29831358 0.13305703 0.12113558 Ti 0.00619819 6.08769482 10.21263235 -0.42532091 -0.23719637 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0.44628487 Ti 2.01797791 8.10171551 10.20986842 0.41450879 0.23585250 -0.10555243 Ti 0.00394574 10.15699195 10.18815294 -0.41170924 0.19176239 -0.04165196 Ti 4.04014353 8.17174920 8.13470327 0.07610319 -0.10371563 0.28305908 Ti 6.14002325 10.16234562 8.16209409 -0.22453848 0.17389866 -0.17074003 Ti 6.07477017 8.11705446 10.15196967 0.26954495 0.19797405 0.16140032 Ti 4.04843355 10.19417651 10.20600709 0.08214365 -0.29937338 -0.22781812 Ti 8.15531962 8.12152792 8.10011589 -0.13271397 0.17517342 0.25609983 Ti 10.13453665 10.14186235 8.15739494 0.48338486 0.32595935 -0.07188332 Ti 10.19162797 8.11993382 10.21096623 -0.00748764 0.15858983 -0.14085901 Ti 8.17998848 10.19316770 10.16595172 -0.11957139 -0.36949390 0.30015186 Ti 12.23409843 8.16576490 8.13156948 -0.15787823 -0.18576985 0.29561930 Ti 14.25209439 10.15243462 8.17227010 0.25568826 0.17580361 -0.10958308 Ti 14.28337809 8.12197156 10.15807113 0.12959746 0.14205696 0.26502616 Ti 12.17861558 10.15412484 10.21434300 0.19440628 0.20806941 -0.19943460 Ti 0.02850351 12.23577598 8.16056015 -0.30348620 0.10737524 -0.02606754 Ti 2.07446567 14.26375179 8.13421025 -0.44709320 0.22628361 -0.01175289 Ti 2.03538812 12.18140474 10.21425448 -0.16871332 0.43089168 -0.22967013 Ti 0.03652550 14.23269291 10.13447825 0.49686069 -0.44063609 0.28181655 Ti 4.04680343 12.23176771 8.17509974 0.20867805 -0.40321067 -0.11638813 Ti 6.05968190 14.26001932 8.16049373 0.25002822 0.10915938 0.04332216 Ti 6.14488520 12.16992209 10.21056222 -0.41738835 0.22743315 -0.32684369 Ti 4.02977112 14.27910621 10.18119743 0.08361721 0.11629130 0.14052293 Ti 8.15447794 12.18282103 8.10513936 -0.06277793 0.43022176 0.16709354 Ti 10.20729596 14.26866126 8.07212396 -0.16044215 0.20170404 0.28938971 Ti 10.19958787 12.24492400 10.18203419 0.07960531 -0.12315834 -0.11122798 Ti 8.13435650 14.20407848 10.17033329 0.09035712 0.44149761 -0.07694528 Ti 12.24617304 12.22596419 8.09926764 -0.39783742 -0.29960406 0.27364505 Ti 14.21105935 14.23071788 8.15154890 -0.19863551 -0.28265255 -0.08527148 Ti 14.21309977 12.21508391 10.17173887 0.29485023 0.01213522 0.15685501 Ti 12.22764503 14.24894144 10.14026263 -0.02572799 0.29131879 0.25346475 Ti 0.02020778 0.03209525 12.25961305 0.42968225 0.37789134 0.01975704 Ti 1.98001209 1.99969819 12.23385515 0.25990613 0.16733708 0.29154310 Ti 2.05042667 0.00197774 14.27610210 -0.01095264 0.60439425 -0.65647833 Ti 0.01631028 1.98836338 14.26643300 0.60100822 0.11188812 -0.53706127 Ti 4.09185890 0.03826791 12.20323276 -0.35787711 -0.57517613 0.17708623 Ti 6.07593118 2.04037370 12.18466977 0.48874462 0.18055626 0.32309392 Ti 6.07845981 0.03401183 14.23601495 0.13347252 0.35566884 -0.32382680 Ti 4.09315820 2.01088327 14.21359634 -0.41140234 0.10721268 0.38347042 Ti 8.10906178 0.00875778 12.25592330 0.10570540 -0.15938403 -0.02525702 Ti 10.19138558 2.03165259 12.19834734 -0.23283639 -0.10938956 0.06113255 Ti 10.17609519 0.00871679 14.23571419 0.07654799 0.49805458 -0.42575126 Ti 8.16654128 2.05236822 14.25817255 -0.21690768 -0.18618515 0.14024113 Ti 12.20263685 0.02158687 12.23410052 0.28844079 -0.36295633 0.02105926 Ti 14.26326906 2.01450410 12.17486458 0.18374112 -0.12868412 0.50005523 Ti 14.22984415 0.01093387 14.25571388 -0.85636862 0.88391949 -0.92081662 Ti 12.24230793 2.02444446 14.23108917 0.26564195 -0.11277193 0.22127919 Ti 0.02985464 4.07870480 12.22295913 -0.45047430 -0.27508723 0.17769893 Ti 1.99882720 6.09014384 12.20617315 0.36193149 0.04382797 0.27876274 Ti 2.00749558 4.10074592 14.24605233 0.07335563 -0.24964131 0.27354855 Ti 0.00606450 6.12910566 14.26109146 0.44428219 0.04213315 -0.48389758 Ti 4.07654781 4.10664303 12.21687357 -0.26688485 -0.21690170 0.17168014 Ti 6.06418970 6.14125715 12.24611405 0.40160394 -0.30637512 -0.42517384 Ti 6.06094500 4.06775451 14.26899667 0.20063291 -0.11484813 0.28325037 Ti 4.10044087 6.13780192 14.25679185 -0.41547413 -0.13924875 0.48480113 Ti 8.10223987 4.10369581 12.23837825 0.01972150 -0.26307965 -0.24914241 Ti 10.19102354 6.07979121 12.20433425 -0.15988741 0.09020295 0.23875714 Ti 10.20760175 4.01802832 14.23660778 -0.08912136 0.23093292 0.39427980 Ti 8.11472668 6.12910519 14.22132472 0.11449794 -0.25117787 0.51887847 Ti 12.17926115 4.09353696 12.21896198 0.61023691 -0.24612680 0.20652860 Ti 14.26469012 6.13237853 12.19295970 0.15636068 -0.12920897 0.33923990 Ti 14.27351640 4.09037826 14.21668665 -0.66342752 -0.04348239 -0.61825340 Ti 12.18885385 6.14150918 14.27587059 0.35796651 -0.18686882 0.13740304 Ti 0.00842983 8.10370841 12.17105852 -0.49506211 0.15840050 0.43833038 Ti 2.01205658 10.19329107 12.18571824 0.18250875 -0.23370718 0.33521908 Ti 2.04387900 8.17456326 14.20494193 -0.24984115 -0.31164778 0.36434667 Ti 0.03952113 10.13764810 14.20707071 0.28732155 0.10771176 -0.30344725 Ti 4.09690214 8.12119877 12.24816866 -0.53242563 0.12956369 -0.50831449 Ti 6.07911614 10.14508236 12.24015749 0.30615437 0.08412066 -0.36189966 Ti 6.10027583 8.16851234 14.21586310 0.12164203 -0.10282443 0.78871891 Ti 4.05400996 10.13841176 14.25429909 -0.17393790 0.38883820 0.37327329 Ti 8.14608879 8.12239734 12.21899899 -0.07638664 0.22465555 -0.29198861 Ti 10.19528971 10.16775189 12.27164632 -0.26762417 0.19858938 -0.19293999 Ti 10.14486565 8.12330838 14.23344007 0.19855777 0.08413764 0.45738315 Ti 8.11058971 10.15467996 14.27976750 0.17474356 0.32118329 0.18418485 Ti 12.19973092 8.12697428 12.21674859 0.43809797 0.04721661 0.27228062 Ti 14.26618557 10.16281582 12.20239396 0.09918809 0.02929897 0.29812508 Ti 14.27519986 8.09593748 14.28012875 -0.65612447 0.11337235 -0.67276211 Ti 12.22108654 10.19325080 14.24839029 0.32537441 -0.13152488 0.29590849 Ti 0.01314758 12.16848327 12.23158960 -0.38852677 0.55465824 0.05741466 Ti 2.04961106 14.25211498 12.22242007 -0.29587859 0.19204152 0.07104792 Ti 2.02480751 12.25703906 14.21568206 -0.12694163 -0.07961898 0.33754854 Ti 0.00970539 14.26004777 14.20510664 0.87726988 -0.85841802 -0.85865849 Ti 4.08603039 12.17987432 12.20889585 -0.21971905 0.41933900 0.19011302 Ti 6.06116658 14.24569649 12.18182577 0.10492926 0.25003721 0.38188408 Ti 6.06852354 12.20322535 14.20790067 0.16054459 0.33922917 0.37780685 Ti 4.00441073 14.24769685 14.28368931 0.14164518 -0.50703054 -0.61662837 Ti 8.11898760 12.18883344 12.17536151 0.32895307 0.24167092 0.70902133 Ti 10.18962701 14.27781349 12.21261209 -0.02945686 0.07086034 0.18416509 Ti 10.18719967 12.24028002 14.27822779 -0.17002682 0.09025880 0.07694937 Ti 8.15084992 14.25599715 14.25194014 -0.06930238 -0.67099759 -0.71470667 Ti 12.19784273 12.19772814 12.23328490 0.31230948 0.41331494 0.14701940 Ti 14.22673015 14.22779672 12.18566698 -0.70078843 -0.61202013 0.16624707 Ti 14.23265436 12.25386045 14.23924269 -0.69942676 0.00441700 -0.70842226 Ti 12.17223405 14.25448779 14.25467527 0.19501038 -0.64911520 -0.69502134