256 Lattice="16.278792462586107 0.0 0.0 0.0 16.278792462586107 0.0 0.0 0.0 16.278792462586107" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1096.86107525213 stress="-7.493265089300563 0.37374660505241586 -0.0075564447255729306 0.37374660505241586 -6.657776848175516 -0.7742604324739943 -0.0075564447255729306 -0.7742604324739943 -8.53432832303908" pbc="F F F" Ti 0.03036101 0.01310235 0.01708968 0.84738663 0.81468043 0.85404430 Ti 1.98931032 2.04971359 0.03399381 0.07112462 -0.46524938 -0.48114740 Ti 2.05055449 0.01640834 2.07518928 -0.36976076 -0.28756487 -0.35388589 Ti -0.00443191 2.03389758 1.99794991 -0.26829180 -0.27409266 0.25091455 Ti 4.08965330 -0.02806334 -0.02146025 -0.12783772 0.67598972 0.66501589 Ti 6.09372597 2.06203590 -0.02294713 0.17289806 -0.37945141 -0.20006262 Ti 6.11073608 0.01123428 2.05949972 -0.09202459 -0.24417354 -0.53745088 Ti 4.04251360 2.04172273 1.97413188 0.24355298 -0.21276581 0.36022669 Ti 8.16654897 -0.01704868 0.02165149 -0.11896530 0.63532363 0.49297059 Ti 10.20632958 2.06337912 0.03456767 -0.07261336 -0.33068516 -0.59037946 Ti 10.18291544 0.02458626 2.00143930 -0.03842881 -0.37364520 0.13830237 Ti 8.11248221 2.04935439 2.03664924 0.13484755 -0.29721197 -0.16042279 Ti 12.20314223 0.00798773 0.02270345 0.12406524 0.49909448 0.52122479 Ti 14.22023557 1.96190767 -0.02475120 -0.67675232 0.09886198 0.82839413 Ti 14.24030381 -0.00732108 2.07504406 -0.59824679 0.52370639 -0.29620547 Ti 12.20372691 2.00654622 2.03815324 0.46632657 0.10396245 -0.30032879 Ti 0.01261620 4.03105785 0.01471606 0.29270188 0.14991997 0.34724068 Ti 2.04771549 6.07495272 0.03667392 -0.28952194 0.19551712 -0.50130150 Ti 2.03468617 4.09278025 2.02217871 -0.21848708 -0.18868879 0.26011148 Ti -0.00769238 6.07667921 2.06238786 -0.23902040 0.21082222 -0.34470063 Ti 4.05561532 4.04589526 0.03369426 -0.01133546 0.08366935 -0.53563440 Ti 6.07264160 6.06053641 0.00266405 0.14714210 0.13694913 -0.21110295 Ti 6.14318815 4.05904673 2.03450638 -0.37168174 0.03290812 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4.13427945 0.68630682 0.61736515 -0.18663375 Ti 2.01840196 2.05456493 4.05880140 -0.18978559 -0.32691538 -0.10359000 Ti 2.07477727 0.00419061 6.13958488 -0.35651503 -0.26837977 -0.17508335 Ti 0.00134733 2.04387761 6.08856594 -0.24518994 -0.35508058 0.13269967 Ti 4.08058609 0.00661601 4.03748369 -0.08466685 -0.32649165 0.08270282 Ti 6.12147992 2.00624416 4.09007097 -0.18957492 0.27976060 -0.22457697 Ti 6.11745667 -0.02057333 6.14353040 -0.03440779 -0.46375580 -0.20844245 Ti 4.09074520 1.99908896 6.06751470 -0.06271980 0.19094976 0.21559254 Ti 8.11812216 -0.00756935 4.05290954 0.27313311 -0.24706681 0.02194132 Ti 10.19736721 2.06983355 4.04168967 -0.24434012 -0.32987106 0.19708227 Ti 10.14214928 -0.01069712 6.11335638 0.09398569 -0.18752333 -0.04828722 Ti 8.11190469 2.02101394 6.13195884 0.32253994 -0.05932640 -0.08286332 Ti 12.23795133 0.01235812 4.09060987 -0.16887183 -0.43440529 -0.07129159 Ti 14.21697096 1.99514405 4.02336124 0.36716327 0.22928841 0.26651352 Ti 14.20665542 0.02484720 6.15154452 -0.35254993 0.37681032 -0.08129469 Ti 12.17346240 2.03515591 6.09960991 0.33613073 -0.08850768 -0.03072556 Ti -0.02871925 4.09241800 4.08518610 -0.24648698 -0.28143183 -0.16361934 Ti 2.02221122 6.09112938 4.09975689 0.08042501 0.19779172 -0.20396888 Ti 2.06125896 4.03775524 6.09019819 -0.15718189 0.13959090 0.19175340 Ti 0.01905013 6.11243031 6.07929867 -0.43541917 -0.05702866 0.15255192 Ti 4.03262667 4.06322639 4.10491689 0.44019532 -0.04705758 -0.40242577 Ti 6.09112001 6.11116963 4.10532667 0.08394193 -0.31123166 -0.36428687 Ti 6.13537655 4.05385163 6.11248547 -0.26459325 0.17627346 0.00357798 Ti 4.07714685 6.12474559 6.12229391 -0.05759086 -0.39478772 -0.11954529 Ti 8.15404848 4.07166469 4.11005440 -0.06769922 -0.17708255 -0.22870604 Ti 10.23053354 6.06290874 4.04423504 -0.28243139 0.14622461 0.14597716 Ti 10.13631190 4.06573245 6.13499037 0.12350280 -0.06374504 -0.05277791 Ti 8.15462494 6.12659188 6.06352875 0.05592213 -0.05793774 0.29321396 Ti 12.20157585 4.09110484 4.07797022 0.16082543 -0.39715909 -0.15528377 Ti 14.23300172 6.06759312 4.05755307 0.31331302 0.34578675 0.09196359 Ti 14.26485448 4.09736288 6.11900070 0.25478490 -0.33841655 -0.32987950 Ti 12.16969782 6.07548825 6.10594654 0.32524225 0.19919447 0.03905537 Ti -0.03243291 8.12651857 4.06966473 -0.01360933 0.08863307 -0.15601096 Ti 2.06565612 10.20719601 4.05021630 -0.19662275 -0.43259912 -0.10105603 Ti 2.04328000 8.16267500 6.12752352 -0.19827276 -0.17365172 -0.41628048 Ti 0.02779198 10.14149460 6.10154373 -0.49111379 0.06784276 -0.06209999 Ti 4.08401751 8.09985003 4.10877475 -0.30066889 0.42277750 -0.40725095 Ti 6.12182339 10.19056636 4.03018071 -0.45495751 -0.16791752 0.14875988 Ti 6.08066798 8.11998603 6.08032899 0.33037704 0.37483747 0.19237140 Ti 4.03768477 10.14660887 6.10904523 0.37207186 0.35702187 -0.11745569 Ti 8.14670853 8.13216933 4.08897210 -0.12871685 -0.01529170 -0.19660819 Ti 10.16461758 10.17592031 4.04905299 0.02881990 0.30422986 -0.01616116 Ti 10.19367812 8.18083601 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10.13996157 -0.26681683 -0.20024767 0.46561404 Ti 4.04430895 2.05957975 10.14311559 0.30595717 -0.01290943 0.38314401 Ti 8.11132349 -0.00557992 8.19275993 0.27546295 -0.27562101 -0.27910887 Ti 10.19049284 2.05710763 8.12558895 -0.22830352 -0.30013077 0.28249998 Ti 10.09726437 -0.03779004 10.20078546 0.34017354 -0.15308729 -0.11499486 Ti 8.12207598 2.04992319 10.20221673 0.11763168 -0.05051500 -0.22490468 Ti 12.20027358 -0.02034463 8.16268275 0.09300811 -0.05832093 0.08802763 Ti 14.26383676 2.05964472 8.10397739 0.16472941 -0.33972312 0.24731417 Ti 14.25864717 0.01298643 10.17645033 -0.58329836 0.60855400 0.02113222 Ti 12.19519018 2.03569858 10.18728714 0.15534736 -0.36947254 -0.27636352 Ti -0.00558794 4.06032048 8.10933678 -0.24168150 0.12101926 0.10645961 Ti 2.04815467 6.11913346 8.08607232 -0.38972294 -0.23913709 0.28953106 Ti 2.03156196 4.05320879 10.13555591 -0.28953204 0.18118992 0.16270085 Ti -0.03166399 6.14095483 10.20870939 -0.08775202 -0.31067911 -0.16060286 Ti 4.09670093 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0.04838356 Ti 14.23326203 12.18979038 10.17637401 0.30250472 0.47647381 0.13688391 Ti 12.19932483 14.25889608 10.17762916 0.15323708 0.02072135 0.10837509 Ti -0.03187387 -0.01511281 12.20602903 0.94592053 0.92050701 0.02968766 Ti 2.04137990 2.05138998 12.20288596 -0.27764695 -0.48378920 0.17417061 Ti 2.05939806 0.02940777 14.21685761 -0.27750490 0.57598408 -0.64859738 Ti 0.00086084 2.05778271 14.26206252 0.75789959 -0.23012210 -0.71366581 Ti 4.04443505 -0.01394650 12.18076347 0.20223440 -0.02436213 0.20762382 Ti 6.11316869 2.06719665 12.20548285 -0.32222893 -0.34832921 0.19477480 Ti 6.10507978 -0.00672574 14.24362437 -0.11802509 0.63082528 -0.58884574 Ti 4.03975865 2.02637121 14.27342827 0.13865972 -0.18187999 0.02386023 Ti 8.11489538 0.00812777 12.21941450 0.00792581 -0.33109322 0.22694795 Ti 10.18700289 2.04234793 12.17010721 -0.14288686 -0.15626081 0.33420220 Ti 10.23014609 0.02802869 14.21095525 -0.07775852 0.35172233 -0.38503457 Ti 8.17948624 2.01361743 14.21712234 -0.14545048 0.04702246 0.24646834 Ti 12.17076893 0.00959246 12.18030500 0.55457209 -0.23306691 0.26953401 Ti 14.20467434 2.07256403 12.19300049 0.32962746 -0.58305112 0.44247888 Ti 14.27839387 0.01804642 14.26140792 -1.10171948 1.04221476 -1.07758917 Ti 12.19797623 2.05714025 14.24252807 0.37985441 -0.42061696 0.22543138 Ti 0.02775722 4.03976322 12.26750208 -0.40164142 0.10862562 -0.16353067 Ti 2.03143877 6.09581264 12.18419443 -0.17782313 0.21672279 0.29200685 Ti 2.05650156 4.08826028 14.21133630 -0.26844701 -0.04884854 0.57781122 Ti -0.03543110 6.09327116 14.25697177 0.66443830 0.05910043 -0.60790877 Ti 4.04706027 4.11542519 12.22333558 0.14339002 -0.32730767 -0.16367028 Ti 6.12145381 6.10839667 12.18223081 -0.13771065 -0.07636322 0.29735169 Ti 6.07306337 4.06506632 14.22637374 0.18938917 -0.08690848 0.28700278 Ti 4.07787193 6.12763604 14.27370835 -0.14975179 0.02875456 0.17361065 Ti 8.17925091 4.10664019 12.17436944 -0.11738119 -0.25441934 0.41229750 Ti 10.14934083 6.11256761 12.17630881 0.28538576 0.16172967 0.27824578 Ti 10.20276599 4.06374468 14.26451518 -0.08709742 -0.03767265 0.23313466 Ti 8.15898039 6.04838261 14.27487104 -0.10674885 0.18449151 0.21036958 Ti 12.17570652 4.05363291 12.22085743 0.17854738 0.29159051 -0.00066361 Ti 14.20355749 6.14227659 12.24703957 0.36642121 -0.20852423 -0.24844660 Ti 14.21738942 4.07428092 14.23680985 -0.36336032 -0.09778191 -0.42260885 Ti 12.22802091 6.08758370 14.23441167 -0.11451907 0.22704683 0.28969309 Ti -0.00241007 8.13392565 12.20829064 -0.13546595 0.22452467 0.17088871 Ti 2.05888789 10.19916611 12.16985475 -0.45511255 -0.25596699 0.36981426 Ti 2.02147661 8.16411059 14.21777277 -0.15365499 -0.11186156 0.17292658 Ti -0.00047989 10.17926487 14.26244843 0.57827441 0.06516399 -0.64559654 Ti 4.10880498 8.14572864 12.19800438 -0.41303369 -0.24697984 0.11766114 Ti 6.07835012 10.21167215 12.23549190 0.27046373 -0.32785718 -0.34953469 Ti 6.08730849 8.12959633 14.22894839 0.16399521 -0.03646762 0.46229302 Ti 4.07538538 10.17657878 14.23433235 -0.17049955 -0.03826870 0.45646844 Ti 8.11977982 8.13121748 12.24533436 0.15578928 0.15852779 -0.25424453 Ti 10.20867760 10.17797417 12.23381512 -0.31123726 -0.18818911 -0.10327191 Ti 10.16266276 8.15177250 14.27170656 0.13017808 -0.14612337 0.13829568 Ti 8.10845596 10.17877374 14.26231081 0.23918317 0.05446275 0.21537259 Ti 12.23646259 8.16655476 12.19197308 -0.17642299 -0.17657828 0.13957148 Ti 14.26166558 10.16248512 12.20391734 0.31853729 0.20431865 0.24514275 Ti 14.26143245 8.14470826 14.20768784 -0.42161994 0.03962014 -0.26137505 Ti 12.22415638 10.15639541 14.25135038 0.30786323 0.06379892 0.35639513 Ti 0.00133162 12.19198160 12.19214440 -0.24796190 0.24434278 0.57434176 Ti 2.03545515 14.23024425 12.19639623 -0.35103067 0.28183736 0.45911405 Ti 2.05279854 12.18013388 14.28012386 -0.39217808 0.38187177 0.02138342 Ti 0.00869332 14.26910435 14.20370152 0.96990956 -1.02407747 -0.93452328 Ti 4.03266735 12.20127948 12.22105314 0.18085717 0.30131325 0.08975593 Ti 6.13658009 14.28327216 12.19444730 -0.17702341 0.05244576 0.30089009 Ti 6.12190064 12.17206491 14.20879910 -0.11024860 0.64772823 0.39352494 Ti 4.07870773 14.25638766 14.21256231 -0.02003902 -0.58762110 -0.51466608 Ti 8.13728489 12.20946850 12.16901214 0.08731331 0.06443337 0.65370293 Ti 10.14024763 14.23177419 12.22425120 0.19067998 0.25459444 0.32315685 Ti 10.21238275 12.18015502 14.28326845 -0.24485290 0.39193944 0.16422391 Ti 8.10589269 14.26084582 14.26344481 0.10327545 -0.70157583 -0.60219314 Ti 12.17391440 12.18014403 12.24854608 0.58875845 0.64067791 0.07880052 Ti 14.23535150 14.24347839 12.21098775 -0.79837861 -0.75719447 0.05961977 Ti 14.26910002 12.22281998 14.21137061 -0.79908956 0.08044364 -0.67869694 Ti 12.21065531 14.27202381 14.26426051 0.07544441 -0.84944503 -0.84993445