256 Lattice="16.27878936781429 0.0 0.0 0.0 16.27878936781429 0.0 0.0 0.0 16.27878936781429" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1097.2767942743592 stress="-0.004069403891356508 0.00019348418243949323 -0.00043023145794507286 0.00019348418243949323 -0.004229606897411541 -0.0002188936182640363 -0.00043023145794507286 -0.0002188936182640363 -0.004236095095623099" free_energy=-1097.2767942743592 pbc="F F F" Ti 0.01669165 0.02497310 0.01741927 0.78291333 0.80047328 0.79596650 Ti 2.06058863 1.98905641 0.03055050 -0.26801113 0.18574903 -0.50568021 Ti 2.04922845 0.02929705 1.98932179 -0.24359055 -0.58669279 0.09397980 Ti 0.02813061 2.02934271 2.02565946 -0.47373122 -0.17032589 -0.17221485 Ti 4.06902514 0.00968042 0.01744034 0.16003980 0.35649793 0.35732995 Ti 6.13310338 2.06975817 0.03095731 -0.16475474 -0.47979032 -0.63406335 Ti 6.13943050 0.01389898 2.05484403 -0.19459558 -0.36621976 -0.13783534 Ti 4.08211998 2.03475496 1.99791298 -0.10549713 -0.11490572 0.31162392 Ti 8.18760396 0.03903792 0.03395293 -0.23226872 0.12214068 0.10846090 Ti 10.18277307 1.99864615 0.03924904 0.24849008 0.10767815 -0.64783570 Ti 10.15886032 0.00351414 2.01765626 0.31057075 -0.39872494 0.18593000 Ti 8.13231041 2.00951106 1.99797543 0.09962060 0.10271794 0.55450943 Ti 12.21109260 0.03585212 0.00850962 0.17091288 0.52892674 0.62602372 Ti 14.26442354 2.01535031 0.02199007 -0.69434493 -0.00271204 0.72715320 Ti 14.23443766 0.03283781 2.07081585 -0.63332996 0.55896702 -0.13234993 Ti 12.19841025 2.03726526 2.04161842 0.42873426 -0.27757305 -0.17766047 Ti 0.03902002 4.01492021 0.00527476 0.45885254 0.06040334 0.42700547 Ti 2.05652366 6.10001561 0.00041509 -0.34919570 -0.16944821 -0.38186669 Ti 1.99978553 4.09219153 2.07137319 0.31550130 -0.26336708 -0.34123437 Ti 0.02769092 6.08030759 2.06573215 -0.49677898 0.05204442 -0.46039589 Ti 4.07890342 4.06654524 0.04046571 -0.25085945 -0.00960258 -0.49362176 Ti 6.07303929 6.13386679 0.01121756 0.22960696 -0.19907123 -0.28181450 Ti 6.10425770 4.04159092 2.00868736 0.22440044 0.36060753 0.17511191 Ti 4.03953742 6.13055723 2.01970027 0.11145828 -0.14832352 0.20587803 Ti 8.16614929 4.03991011 0.00453617 -0.14128870 0.22526801 -0.42263273 Ti 10.18678342 6.06382755 0.00515099 -0.06643000 0.21778803 -0.36550631 Ti 10.14596504 4.01709528 2.01918195 0.22929453 0.29325143 0.38280394 Ti 8.17911748 6.12366826 2.04755737 -0.32650164 -0.23644710 -0.16096372 Ti 12.24937212 4.07272629 0.02769591 0.06435367 -0.21720020 -0.28197591 Ti 14.20828524 6.12904361 0.03037315 -0.31365282 0.02013442 0.38846353 Ti 14.26532025 4.09193910 2.04720389 0.22720478 -0.17337782 -0.37906349 Ti 12.16763462 6.14303732 2.00919923 0.13871957 -0.25193285 0.14583181 Ti 0.03632757 8.10954717 0.00927443 0.38784869 0.05977174 0.48475365 Ti 2.02225068 10.19354567 0.03992460 -0.22426024 -0.02393126 -0.44328654 Ti 2.03681610 8.12467727 2.00809823 -0.14811550 0.17269600 0.19611944 Ti 0.01988526 10.18032363 2.06792727 -0.42989503 0.03983125 -0.33812780 Ti 4.03836667 8.13631375 0.00175235 0.08425666 0.22910738 -0.45697928 Ti 6.14087732 10.17616080 0.03610970 -0.33864644 0.27141978 -0.48950410 Ti 6.10989568 8.16389015 2.00636832 -0.03778900 -0.25549791 0.27396005 Ti 4.06862436 10.15601378 2.05801780 -0.04749319 0.25575625 -0.20534378 Ti 8.10666911 8.16833331 0.02504013 0.37756661 -0.22622559 -0.57061943 Ti 10.23875846 10.19469003 0.02682158 -0.22727383 -0.09061158 -0.49404399 Ti 10.13822476 8.17562345 2.04049814 0.47885507 -0.14213390 -0.15685950 Ti 8.16094216 10.16597322 2.02331103 -0.23970133 0.44827327 0.11243337 Ti 12.19414344 8.14384000 0.00055813 0.23668276 0.13742192 -0.21304390 Ti 14.27940306 10.18992845 0.02260537 -0.56561012 0.02863717 0.45422084 Ti 14.24723458 8.18126958 2.03299822 0.32784352 -0.22413514 -0.30806341 Ti 12.23907123 10.20326058 2.07198824 0.12946514 -0.27973535 -0.44996547 Ti 0.02032046 12.25328814 0.00712654 0.62105041 -0.02436285 0.64264839 Ti 2.06927830 14.22820820 0.02532231 -0.11296854 -0.57066588 0.65349721 Ti 1.99970087 12.17387457 2.06085505 0.11568764 0.45134311 -0.23744202 Ti 0.03880792 14.22600562 2.04155281 0.54103649 -0.55656545 -0.05375987 Ti 4.02726797 12.20004509 0.01945323 0.09223939 0.12823884 -0.31159200 Ti 6.08428302 14.25417131 0.02077622 0.06181741 -0.47672169 0.42534374 Ti 6.06845958 12.25954570 2.00401408 0.41302241 -0.26701484 0.25866729 Ti 4.08696586 14.20688886 2.07259746 -0.22638937 0.42119302 -0.25127052 Ti 8.16632762 12.21877560 0.03178601 -0.04957044 0.18410624 -0.34392772 Ti 10.15182499 14.26958460 0.01471059 0.18233842 -0.59202326 0.51230869 Ti 10.20803533 12.17712080 2.03589410 -0.13145124 0.55950539 -0.14016252 Ti 8.17456552 14.22392220 2.05592563 -0.16041547 0.24993669 -0.12646892 Ti 12.21898125 12.17973532 0.02348177 0.37031399 0.57602038 -0.21552847 Ti 14.25570234 14.25301584 0.03612943 -0.96876113 -0.95334168 0.94494009 Ti 14.28336563 12.21673726 2.03165513 0.07472078 0.32914774 -0.16781080 Ti 12.18009446 14.28062516 2.03644081 0.39108238 -0.01316444 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0.18262840 Ti 14.23822756 0.00887373 6.07169302 -0.45393584 0.44828352 0.06312295 Ti 12.22158934 2.04977736 6.13193556 0.20385175 -0.04312435 -0.28869078 Ti 0.03622179 4.06297326 4.08527698 -0.55119742 -0.22720712 0.04525545 Ti 2.00040053 6.11642125 4.09392549 0.55192280 0.12314854 -0.12762178 Ti 2.06408908 4.09792907 6.13511882 0.17047389 -0.42816937 -0.23127223 Ti 0.03793458 6.09093145 6.07720671 -0.59369644 0.20130041 0.24573960 Ti 4.10603559 4.08821979 4.03231367 -0.45900452 -0.20165109 0.17456730 Ti 6.08441853 6.08857857 4.03617496 0.25451195 0.28558679 0.10469663 Ti 6.12118723 4.03787322 6.08800221 -0.33419222 0.39722983 0.29697845 Ti 4.05106671 6.14613060 6.09985552 0.06802503 -0.26024495 -0.09084538 Ti 8.10308554 4.07119348 4.08920774 0.20478475 -0.09002534 -0.45587868 Ti 10.14921516 6.13943244 4.08275697 0.32995498 -0.21043444 -0.22860087 Ti 10.14185812 4.10919999 6.03475483 0.31987808 -0.25420206 0.37377351 Ti 8.14813299 6.09034562 6.13736491 -0.21513781 0.15824307 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0.30663695 Ti 10.20068396 8.12767744 6.12788314 -0.16281201 0.09584607 -0.25327355 Ti 8.17208758 10.20285250 6.07265092 -0.20230483 -0.45452359 0.18686062 Ti 12.24064859 8.13368380 4.04579139 -0.30908318 0.01884710 0.15756334 Ti 14.25143170 10.13957129 4.04947922 0.42550126 0.31380833 0.19918038 Ti 14.27911973 8.13540711 6.09760243 0.19862692 -0.02064539 -0.01240607 Ti 12.17385269 10.15687521 6.10229449 0.18225534 0.14876602 -0.05819299 Ti 0.00142658 12.21297080 4.10147647 -0.39072979 0.19777313 -0.18988305 Ti 2.06644745 14.21465878 4.04575153 -0.20237883 0.25197854 0.15975006 Ti 2.01182160 12.17581271 6.11888667 0.24912660 0.46214110 0.01750335 Ti 0.00919076 14.23315370 6.06858652 0.54862164 -0.42494569 0.12707874 Ti 4.10350347 12.16988361 4.10044375 -0.17252362 0.27493843 -0.16179869 Ti 6.11437714 14.27706641 4.10988873 -0.02809307 0.19657658 -0.29536377 Ti 6.13655778 12.22515318 6.07512554 -0.20141192 -0.13806561 0.40483690 Ti 4.06645686 14.21704887 6.13913487 -0.07554782 0.34071102 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0.43459290 Ti 6.08716475 0.02486189 10.18108724 0.15320879 -0.47466433 -0.09723122 Ti 4.08177623 2.06891623 10.23069861 -0.18049230 -0.17587175 -0.32983418 Ti 8.17903884 0.00310342 8.11318626 -0.19468472 -0.39250303 0.26418816 Ti 10.22077995 2.05653855 8.12200665 -0.20079956 0.14759056 0.20116473 Ti 10.13996443 0.00820657 10.15885674 0.13964947 -0.26434442 0.28061153 Ti 8.11582669 2.02731552 10.14700810 0.09978670 0.11682943 0.30835234 Ti 12.17929602 0.00828976 8.17293470 0.33218529 -0.39571232 -0.13294237 Ti 14.23581535 1.98867793 8.11296868 0.26808018 0.10908913 0.08082354 Ti 14.26687771 0.01546738 10.14560138 -0.50768480 0.37971003 0.14443087 Ti 12.24324684 2.02491251 10.20089055 -0.13867706 0.06218885 -0.16763033 Ti 0.00678818 4.03694084 8.11127167 -0.28229200 0.21669579 0.28213842 Ti 2.02653314 6.12565196 8.13266247 -0.00629831 -0.14827687 0.22724031 Ti 2.06956157 4.04678128 10.16938819 -0.29835810 0.13301878 0.12114221 Ti 0.00619818 6.08769375 10.21263053 -0.42544773 -0.23724786 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0.44624624 Ti 2.01797755 8.10171408 10.20986661 0.41453055 0.23583732 -0.10557036 Ti 0.00394574 10.15699016 10.18815114 -0.41174156 0.19181224 -0.04162951 Ti 4.04014282 8.17174775 8.13470184 0.07608651 -0.10372323 0.28306214 Ti 6.14002216 10.16234382 8.16209264 -0.22459964 0.17385821 -0.17077262 Ti 6.07476910 8.11705303 10.15196788 0.26953041 0.19801056 0.16149578 Ti 4.04843284 10.19417471 10.20600528 0.08221381 -0.29942938 -0.22778245 Ti 8.15531818 8.12152649 8.10011446 -0.13267814 0.17515051 0.25606697 Ti 10.13453487 10.14186056 8.15739350 0.48337306 0.32605495 -0.07183843 Ti 10.19162616 8.11993239 10.21096442 -0.00735953 0.15861049 -0.14084559 Ti 8.17998703 10.19316589 10.16594993 -0.11956219 -0.36939628 0.30016287 Ti 12.23409626 8.16576345 8.13156804 -0.15789473 -0.18577681 0.29563472 Ti 14.25209187 10.15243283 8.17226865 0.25573436 0.17587412 -0.10952642 Ti 14.28337556 8.12197013 10.15806933 0.12958895 0.14202354 0.26504899 Ti 12.17861344 10.15412305 10.21434119 0.19428806 0.20807099 -0.19935334 Ti 0.02850350 12.23577381 8.16055870 -0.30346689 0.10737247 -0.02599010 Ti 2.07446530 14.26374927 8.13420881 -0.44714364 0.22623497 -0.01179722 Ti 2.03538776 12.18140259 10.21425267 -0.16878884 0.43090311 -0.22975182 Ti 0.03652549 14.23269040 10.13447647 0.49682950 -0.44059486 0.28179614 Ti 4.04680272 12.23176555 8.17509829 0.20859049 -0.40319309 -0.11648631 Ti 6.05968083 14.26001679 8.16049229 0.25008368 0.10918665 0.04331165 Ti 6.14488411 12.16991995 10.21056041 -0.41730034 0.22745708 -0.32679119 Ti 4.02977042 14.27910368 10.18119563 0.08361718 0.11635684 0.14059277 Ti 8.15447650 12.18281888 8.10513794 -0.06272260 0.43021609 0.16711610 Ti 10.20729415 14.26865873 8.07212254 -0.16041193 0.20168769 0.28935726 Ti 10.19958606 12.24492183 10.18203238 0.07964804 -0.12322657 -0.11123240 Ti 8.13435506 14.20407598 10.17033150 0.09040274 0.44146267 -0.07692515 Ti 12.24617087 12.22596203 8.09926622 -0.39789429 -0.29949239 0.27368533 Ti 14.21105684 14.23071536 8.15154746 -0.19865833 -0.28266774 -0.08523807 Ti 14.21309726 12.21508175 10.17173707 0.29481227 0.01213756 0.15674658 Ti 12.22764286 14.24893892 10.14026085 -0.02572978 0.29125402 0.25344189 Ti 0.02020778 0.03209524 12.25961087 0.42974235 0.37791355 0.01970739 Ti 1.98001175 1.99969784 12.23385298 0.25991788 0.16730867 0.29143453 Ti 2.05042631 0.00197774 14.27609957 -0.01095028 0.60444186 -0.65650713 Ti 0.01631027 1.98836303 14.26643048 0.60102414 0.11183849 -0.53698564 Ti 4.09185818 0.03826790 12.20323061 -0.35788798 -0.57514308 0.17711701 Ti 6.07593011 2.04037334 12.18466762 0.48869259 0.18055624 0.32314609 Ti 6.07845874 0.03401182 14.23601243 0.13344466 0.35570655 -0.32388993 Ti 4.09315747 2.01088292 14.21359383 -0.41145366 0.10720317 0.38336435 Ti 8.10906035 0.00875777 12.25592112 0.10572661 -0.15939916 -0.02527518 Ti 10.19138377 2.03165223 12.19834518 -0.23280908 -0.10944568 0.06104502 Ti 10.17609340 0.00871679 14.23571168 0.07653771 0.49801597 -0.42574975 Ti 8.16653983 2.05236786 14.25817003 -0.21694930 -0.18615515 0.14030142 Ti 12.20263470 0.02158687 12.23409836 0.28845800 -0.36294759 0.02105406 Ti 14.26326654 2.01450375 12.17486244 0.18374368 -0.12872826 0.50012130 Ti 14.22984164 0.01093386 14.25571136 -0.85637757 0.88393188 -0.92084287 Ti 12.24230576 2.02444410 14.23108666 0.26566708 -0.11278704 0.22136389 Ti 0.02985463 4.07870408 12.22295697 -0.45044128 -0.27502283 0.17766837 Ti 1.99882685 6.09014277 12.20617100 0.36198774 0.04378192 0.27878661 Ti 2.00749523 4.10074519 14.24604981 0.07340080 -0.24968842 0.27356648 Ti 0.00606450 6.12910457 14.26108894 0.44428867 0.04211964 -0.48392120 Ti 4.07654708 4.10664230 12.21687141 -0.26691737 -0.21687645 0.17176169 Ti 6.06418864 6.14125605 12.24611188 0.40154896 -0.30640675 -0.42524031 Ti 6.06094394 4.06775379 14.26899415 0.20061568 -0.11481831 0.28324574 Ti 4.10044014 6.13780083 14.25678933 -0.41547092 -0.13926755 0.48475361 Ti 8.10223845 4.10369508 12.23837608 0.01974648 -0.26307765 -0.24905896 Ti 10.19102173 6.07979014 12.20433210 -0.15988703 0.09017044 0.23875148 Ti 10.20759994 4.01802762 14.23660526 -0.08913656 0.23100957 0.39429815 Ti 8.11472525 6.12910411 14.22132221 0.11450281 -0.25122470 0.51886535 Ti 12.17925900 4.09353623 12.21895981 0.61025147 -0.24606279 0.20653782 Ti 14.26468760 6.13237744 12.19295755 0.15633983 -0.12920199 0.33926758 Ti 14.27351387 4.09037753 14.21668414 -0.66338867 -0.04343495 -0.61824822 Ti 12.18885170 6.14150809 14.27586806 0.35801071 -0.18690011 0.13731582 Ti 0.00842982 8.10370699 12.17105637 -0.49501995 0.15840129 0.43831963 Ti 2.01205623 10.19328926 12.18571609 0.18251606 -0.23369608 0.33522040 Ti 2.04387863 8.17456181 14.20493943 -0.24983214 -0.31166262 0.36434021 Ti 0.03952112 10.13764631 14.20706821 0.28728865 0.10773603 -0.30340812 Ti 4.09690141 8.12119734 12.24816649 -0.53247300 0.12952127 -0.50828641 Ti 6.07911507 10.14508057 12.24015532 0.30615394 0.08407929 -0.36193848 Ti 6.10027475 8.16851089 14.21586059 0.12161320 -0.10283900 0.78877520 Ti 4.05400925 10.13840998 14.25429657 -0.17390536 0.38882170 0.37332168 Ti 8.14608735 8.12239591 12.21899683 -0.07643713 0.22464263 -0.29195873 Ti 10.19528790 10.16775009 12.27164414 -0.26759977 0.19856653 -0.19298722 Ti 10.14486386 8.12330695 14.23343756 0.19856419 0.08409825 0.45736969 Ti 8.11058828 10.15467817 14.27976497 0.17472898 0.32126022 0.18416306 Ti 12.19972877 8.12697285 12.21674643 0.43810002 0.04716545 0.27221513 Ti 14.26618304 10.16281402 12.20239180 0.09919773 0.02932969 0.29817212 Ti 14.27519733 8.09593605 14.28012622 -0.65614126 0.11330176 -0.67282512 Ti 12.22108438 10.19324899 14.24838777 0.32542009 -0.13145524 0.29596816 Ti 0.01314758 12.16848113 12.23158743 -0.38858726 0.55463903 0.05738171 Ti 2.04961070 14.25211246 12.22241791 -0.29588183 0.19209348 0.07104732 Ti 2.02480715 12.25703689 14.21567955 -0.12696585 -0.07962817 0.33764249 Ti 0.00970538 14.26004525 14.20510414 0.87726892 -0.85839354 -0.85865566 Ti 4.08602966 12.17987218 12.20889369 -0.21972942 0.41937795 0.19010639 Ti 6.06116552 14.24569398 12.18182363 0.10491834 0.24999528 0.38184325 Ti 6.06852247 12.20322319 14.20789817 0.16053436 0.33920305 0.37779180 Ti 4.00441003 14.24769433 14.28368678 0.14163855 -0.50699831 -0.61660785 Ti 8.11898617 12.18883129 12.17535937 0.32900364 0.24172809 0.70896077 Ti 10.18962521 14.27781096 12.21260993 -0.02948807 0.07079695 0.18407501 Ti 10.18719786 12.24027785 14.27822526 -0.17009695 0.09025334 0.07694916 Ti 8.15084848 14.25599463 14.25193762 -0.06927919 -0.67096808 -0.71466394 Ti 12.19784058 12.19772598 12.23328273 0.31231399 0.41328003 0.14691143 Ti 14.22672764 14.22779420 12.18566483 -0.70078606 -0.61199540 0.16619762 Ti 14.23265185 12.25385827 14.23924018 -0.69937130 0.00436675 -0.70837750 Ti 12.17223191 14.25448527 14.25467275 0.19505078 -0.64904195 -0.69495771