108 Lattice="12.11607786348533 0.0 0.0 0.0 12.11607786348533 0.0 0.0 0.0 12.11607786348533" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.9918488296563 stress="-0.00516144316839024 -0.0005466427318561376 0.0001704472980663186 -0.0005466427318561376 -0.004384301784956531 0.00030904487628583634 0.0001704472980663186 0.00030904487628583634 -0.004647000294873809" pbc="F F F" Ti 0.03313059 0.02736637 0.02403840 0.74480818 0.71719186 0.77338631 Ti 2.01748399 2.01853855 0.01558761 -0.00427561 -0.16173496 -0.53507843 Ti 2.05176206 0.01266188 2.03028095 -0.23899772 -0.48685458 -0.24305371 Ti 0.03103841 2.02672459 2.00888974 -0.59715227 -0.22091226 -0.15064637 Ti 4.06487389 0.03052382 0.01338207 -0.16567453 0.19657340 0.21861082 Ti 6.02588140 2.04443330 0.02714584 0.28544952 -0.25603504 -0.62572457 Ti 6.02971477 0.03335629 2.04893848 0.49557719 -0.67006631 -0.34042775 Ti 4.05416070 1.99525663 2.05055298 -0.24362154 0.27637172 -0.24319409 Ti 8.13091990 0.03133391 0.00764289 -0.18023505 0.51322976 0.49824330 Ti 10.09250039 2.05242998 0.01020578 -0.29865186 -0.16419625 0.46756514 Ti 10.10551761 0.00297260 1.98196762 -0.51751882 0.56986338 0.09222370 Ti 8.07301604 2.00738945 2.01804827 0.40678881 -0.19703872 -0.08765278 Ti 0.01789252 4.03863099 0.00032480 0.30724091 -0.04711919 0.39289778 Ti 2.01597752 6.02723158 0.00810367 -0.07641192 0.22833910 -0.44392728 Ti 2.05786889 3.98414067 2.03900469 -0.27872176 0.42492346 -0.18830213 Ti 0.02716529 6.09555653 2.00780663 -0.42326195 -0.26190031 -0.04782226 Ti 4.04194019 4.07803983 0.02486494 -0.15688725 -0.51474154 -0.67972611 Ti 6.01886009 6.04031977 0.03234569 0.45633760 0.24178439 -0.67455257 Ti 6.07107296 4.01087064 2.02945700 -0.05777414 0.21676368 0.07450141 Ti 4.04391468 6.04070697 1.98674470 -0.18320451 0.12567515 0.49614475 Ti 8.11614368 4.00563243 0.01666413 -0.10177582 0.23162691 -0.44415746 Ti 10.12394398 6.02937460 0.02038107 -0.42048319 0.10412306 0.27781630 Ti 10.10858553 4.06940660 2.02103318 0.35516940 -0.17599918 0.02133104 Ti 8.04102308 6.07971047 2.04478666 0.35858807 -0.17399855 -0.23170471 Ti 0.03300812 8.04190702 0.02266399 0.29692630 0.24513731 0.32387822 Ti 1.99212034 10.06715840 0.03761077 -0.08614130 -0.21276501 0.32892947 Ti 1.99086851 8.11124223 2.02527791 0.16688238 -0.07669241 -0.17777459 Ti 0.01778960 10.12697392 2.05790277 0.35975097 -0.47929943 -0.16733357 Ti 4.02224609 8.13325333 0.03843997 -0.06522017 -0.20222123 -0.63388637 Ti 6.04216922 10.09863263 0.01313355 0.21757355 -0.38361400 0.34413769 Ti 6.02575236 8.06509449 2.04920233 0.32752048 0.10675553 -0.36244823 Ti 4.04662414 10.09410415 2.01915985 -0.02335297 0.64102816 -0.00035706 Ti 8.10041783 8.06509071 0.00911990 0.00303038 0.18905484 -0.38372823 Ti 10.10132507 10.09868418 0.03529668 -0.84129787 -0.84997842 0.85394452 Ti 10.08924216 8.03829288 2.00336284 0.43242069 0.28747928 -0.00097514 Ti 8.06408195 10.06133091 2.02808694 0.23224281 0.45942177 -0.37199859 Ti 0.03231941 0.00705541 3.98974707 0.30845099 0.30336506 0.09806698 Ti 2.00323198 2.03714623 4.05501408 0.09246667 -0.35125604 -0.01653164 Ti 2.05539924 0.00946076 6.07817747 -0.30482365 -0.61357874 -0.21687037 Ti 0.03320879 2.04009889 6.03777387 -0.59846021 -0.23191255 0.01485960 Ti 4.07471212 0.02280943 4.02914963 -0.36735894 -0.55313514 0.19945839 Ti 6.05550235 2.06440349 4.03652006 0.07658794 -0.19520304 0.19957912 Ti 6.02508240 0.00852542 6.04356661 0.03435857 -0.58647958 0.11287496 Ti 4.02818103 2.04210428 6.09387133 0.06602620 -0.16441387 -0.18844152 Ti 8.09312041 0.02411460 4.06146389 0.13359766 -0.48728409 -0.19260144 Ti 10.11659238 2.01270097 4.04495185 0.33543256 -0.19013007 -0.21749905 Ti 10.12330913 0.01409578 6.05919881 -0.42106350 0.37747345 0.13585828 Ti 8.03995199 1.98916482 6.08076385 0.37353019 0.24666153 -0.20941861 Ti 0.02107761 4.07856102 3.99527119 -0.47371921 -0.00680542 0.15750952 Ti 2.06777989 6.09424533 4.05290371 -0.27483113 -0.28902774 -0.33686303 Ti 2.05929273 4.06347111 6.04881006 -0.38196836 -0.06779867 0.30551783 Ti 0.00335828 6.07663994 6.08027381 -0.51080466 -0.10428176 -0.06783835 Ti 4.00649973 4.03186455 4.07493552 0.28915963 0.13143129 -0.39804511 Ti 6.09361035 6.01777169 4.07761087 -0.42945911 0.16995292 -0.37902950 Ti 6.02289618 4.06002103 6.04879428 0.28998429 -0.25819808 0.32458910 Ti 4.03231192 6.05122167 6.10335464 0.01133897 0.14289770 -0.15755909 Ti 8.07774438 4.02407774 4.04654838 0.22511545 -0.14468423 -0.07862009 Ti 10.11624151 6.03593944 4.07708014 0.32589495 0.23621154 -0.13390467 Ti 10.11166200 3.98623816 6.04624976 0.40922799 0.11552321 0.16665993 Ti 8.06739843 6.02042602 6.05567509 0.26195469 0.26358844 0.27285979 Ti 0.03334691 8.08796812 4.02349731 -0.71907382 0.24555549 0.08587220 Ti 2.04591548 10.11572628 4.01188563 -0.19478076 0.41634534 0.22068773 Ti 1.98503764 8.06130400 6.01600747 0.27687219 0.58339239 0.32588677 Ti 0.00744534 10.11633254 6.11084316 0.42308536 -0.41547519 -0.13280895 Ti 4.06331825 8.03481206 4.00703873 -0.14996155 0.23267614 0.27584722 Ti 6.08379891 10.07298078 4.05594268 -0.06551236 0.59800957 -0.03957521 Ti 6.03288180 8.02145755 6.07819714 0.18171535 0.36124315 0.08272040 Ti 4.06661628 10.11978110 6.02635643 -0.22992813 0.24995600 0.07662173 Ti 8.05532687 8.08659885 4.04843999 0.35585674 -0.05219686 0.09993415 Ti 10.07376995 10.10781291 3.99915305 -0.39844361 -0.42386566 0.03460608 Ti 10.06430769 8.11780158 6.06369916 0.38780972 -0.02842544 0.07392868 Ti 8.05468944 10.10436344 6.11084649 0.15453406 0.36271594 -0.08168061 Ti 0.02301879 0.02798834 8.10216286 0.32399722 0.35985368 -0.05366798 Ti 2.00359950 1.97293479 8.05174675 -0.06895374 0.42042344 0.49443861 Ti 2.04498051 0.02156775 10.06603816 -0.25628829 0.34832065 -0.17843950 Ti 0.00245519 2.03592106 10.07399698 0.54808205 -0.02601850 -0.42095851 Ti 4.01739367 0.02903288 8.12307856 0.20336693 -0.64328156 -0.16064037 Ti 6.08447932 2.02174938 8.04711324 -0.13860536 0.17403029 0.43348154 Ti 6.03578820 0.03514726 10.06649564 0.18327156 0.06167556 -0.10222453 Ti 4.06180935 1.99252189 10.12423188 -0.18655923 0.21733337 0.41408628 Ti 8.04069357 0.00873337 8.06892605 0.46259206 -0.64036151 0.17645054 Ti 10.06021227 2.03551528 8.07160180 0.53190408 -0.41532019 0.27304178 Ti 10.06838768 0.00868606 10.10344779 -0.78262312 0.79332159 -0.87474931 Ti 8.08265704 1.97845355 10.09373352 0.10262487 0.10638424 0.43122164 Ti 0.03164724 4.02596487 8.06264126 -0.42529003 0.08588248 0.20973601 Ti 2.04450442 6.09370655 8.07150546 -0.28727885 -0.15816700 0.24595607 Ti 2.03520021 4.07143875 10.07248436 -0.23335146 -0.32968928 0.46670235 Ti 0.01297193 6.05257213 10.11687981 0.36692425 0.07140219 -0.47789230 Ti 4.05606580 4.00662293 8.11765416 -0.24319307 -0.03373925 -0.10333428 Ti 6.02187488 6.03688726 8.10494231 0.18970811 0.16224996 -0.15324244 Ti 6.05265855 4.07536824 10.12882008 0.26904640 -0.45521378 0.45713080 Ti 4.05288955 6.04553368 10.11435961 -0.24971899 0.24828128 0.51413665 Ti 8.10104684 4.06363147 8.09337909 -0.22789084 -0.20127552 0.02895332 Ti 10.10192604 6.04616603 8.10047338 0.43006716 0.25020846 -0.00764250 Ti 10.09170365 4.02902994 10.08666299 -0.36408017 -0.04188227 -0.21926302 Ti 8.05346924 6.09252068 10.08681888 0.36024898 -0.12366725 0.63255876 Ti 0.01493950 8.09104174 8.09226473 -0.32571254 0.24653574 0.30388612 Ti 2.03785917 10.12881939 8.06837388 -0.18835074 0.22270192 0.29263151 Ti 2.02398220 8.06668778 10.11809820 -0.17603183 0.33963728 0.33637015 Ti 0.03942407 10.09749879 10.11957405 0.84955165 -0.83822392 -0.88945222 Ti 3.99961174 8.10854007 8.06829533 0.17005554 0.12967302 0.21069957 Ti 6.02977451 10.13363406 8.08392339 0.17798220 0.15755978 0.28049117 Ti 6.03483159 8.05202787 10.12773117 0.12557262 0.47869971 0.27851197 Ti 4.07636301 10.08661627 10.12491263 -0.22347999 -0.34864956 -0.37274800 Ti 8.04597212 8.05259312 8.10079066 0.27793915 0.45535276 0.09416816 Ti 10.08285403 10.10595786 8.07117610 -0.53976394 -0.58099459 0.21165350 Ti 10.05865112 8.10103124 10.13433182 -0.49967511 0.06339546 -0.64996189 Ti 8.10739095 10.12375844 10.10324899 -0.13454567 -0.66946102 -0.66787927