108 Lattice="12.116077933986915 0.0 0.0 0.0 12.116077933986915 0.0 0.0 0.0 12.116077933986915" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.82602089981964 stress="-0.005740778273983758 0.00033345886649882074 0.0003361240020896195 0.00033345886649882074 -0.005626032286385677 4.339572296477875e-05 0.0003361240020896195 4.339572296477875e-05 -0.006132824897734384" free_energy=-441.82602089981964 pbc="F F F" Ti 0.01056710 0.00274790 0.03865261 0.78759179 0.84270634 0.76848768 Ti 2.04932417 2.00965104 0.00277858 -0.36971245 -0.11839258 -0.37873463 Ti 2.04041190 0.00209245 1.97401380 -0.25338835 -0.37590089 0.05937226 Ti 0.02622234 2.03646307 2.04623891 -0.48777721 -0.39892045 -0.45911228 Ti 4.05945060 0.00761084 0.02915304 -0.11977609 0.22249746 0.09301162 Ti 6.03345522 2.03760733 0.01440816 0.18816981 -0.09925815 -0.64539437 Ti 6.06620369 0.03330671 1.95605633 0.00070078 -0.58969441 0.31795357 Ti 4.05325274 2.05996554 2.02076733 -0.26253266 -0.36291208 0.02835322 Ti 8.10419395 0.01564219 0.02950790 0.12530822 0.59489762 0.40247505 Ti 10.13076053 2.05304093 0.00627902 -0.68217502 -0.14307174 0.62421711 Ti 10.06962262 0.00825277 2.05919801 -0.35639255 0.55680008 -0.19820394 Ti 8.07338648 2.02968789 2.03051027 0.19708292 -0.16598974 -0.29426334 Ti 0.02909012 4.04400549 0.02343402 0.16982556 -0.21031796 0.15031855 Ti 2.01615149 6.03153602 0.03508216 -0.23161497 0.33266536 -0.72619850 Ti 1.97366235 4.06633263 2.04655940 0.39083827 -0.37700984 -0.15328775 Ti 0.00721505 6.05030399 2.00611608 -0.62936068 0.26235522 -0.01615170 Ti 3.99990126 4.05325883 0.03401283 0.07118017 -0.09768564 -0.67623963 Ti 6.06279359 6.04763021 0.02674198 0.18034345 0.27061846 -0.69512797 Ti 6.05493992 4.07722012 2.00803421 -0.04764521 -0.35561028 0.37703750 Ti 4.04367479 6.08578303 1.98587902 -0.14238544 -0.27912295 0.47067501 Ti 8.04269750 4.03941108 0.03970432 0.50415430 -0.10115096 -0.61244777 Ti 10.08724978 6.04816113 0.00203233 -0.39895614 0.00893096 0.49180918 Ti 10.09939444 4.01411317 2.03447131 0.39701252 0.17934174 -0.17632029 Ti 8.07059303 6.05070566 2.05847898 0.32942475 0.18683589 -0.18862406 Ti 0.01823238 8.09910900 0.01253735 0.45329367 -0.09038730 0.33985816 Ti 2.01543789 10.09650264 0.00586366 0.10228012 -0.52549114 0.44306367 Ti 2.01910410 8.07817369 2.01760669 -0.17740378 0.22860543 -0.15510816 Ti 0.02762308 10.06667760 1.95865333 0.39743915 -0.37923942 0.23914044 Ti 4.04936562 8.03959348 0.00119836 -0.10459291 0.52849328 -0.50055419 Ti 6.10868498 10.08258728 0.03924628 -0.06269932 -0.35888151 0.26753774 Ti 6.04183593 8.08094824 2.05541786 0.30741437 0.14556670 -0.26796461 Ti 4.04998122 10.11347272 2.01530592 -0.09763449 0.30707047 -0.10619291 Ti 8.11442435 8.08086066 0.01162423 0.01604617 0.14024190 -0.36031624 Ti 10.12759270 10.12108646 0.02213916 -0.88204327 -0.81295673 0.78570378 Ti 10.06263397 8.12720770 2.01183800 0.70373783 -0.05925832 -0.22111813 Ti 8.09387898 10.10046249 2.03452885 0.13270251 0.57053908 -0.26133469 Ti 0.02222140 0.04574568 4.06119282 0.15219822 -0.09698811 -0.27970685 Ti 1.99809258 1.97380286 4.06707518 0.14116626 0.30600467 -0.58292301 Ti 2.05433790 0.03890696 6.06421832 -0.53376814 -0.89771924 0.32082811 Ti 0.01365227 1.99268874 6.02043607 -0.58505562 0.11420136 0.53566412 Ti 3.99745435 0.03498090 4.07308795 0.20907103 -0.82658827 -0.62062470 Ti 6.04704491 1.98022112 4.07177803 0.10100289 0.39165878 -0.39355484 Ti 6.04003131 0.01750279 6.03631335 0.20837705 -0.69216558 0.35706738 Ti 4.01815643 1.99482084 6.04046163 0.33528879 0.42596025 0.45702866 Ti 8.07871362 0.02534096 4.02081736 0.14818275 -0.60084843 0.05463301 Ti 10.09242253 2.04834506 4.05190353 0.55708980 -0.23037871 -0.07740888 Ti 10.13140205 0.01760126 6.02922074 -0.47657733 0.45275547 0.18416814 Ti 8.09608547 2.02536012 6.04509375 0.06209160 -0.16117524 0.32987850 Ti 0.02260312 4.01863285 4.02248610 -0.71213605 0.17903551 0.27694622 Ti 2.03490378 6.03333936 4.05385161 -0.06929020 0.25679128 -0.06274923 Ti 2.05496487 4.01055074 6.03265295 -0.33859315 0.16684151 0.31893893 Ti 0.01927750 6.09004263 6.08705231 -0.46755762 -0.20295923 -0.06110991 Ti 4.01808921 3.98570666 4.01533986 0.20987648 0.38070573 0.07485377 Ti 6.04844171 6.05174308 4.05655987 -0.07979099 0.01310442 -0.32114623 Ti 6.07130566 4.07507934 6.04878973 -0.35104925 -0.53641421 0.04650926 Ti 4.03409895 6.07995679 6.05844473 -0.16731535 -0.09329274 0.11270187 Ti 8.04225279 4.02031049 4.04741076 0.34428467 0.15525961 -0.03538901 Ti 10.13644453 6.09671861 4.04925784 0.26082766 -0.22198560 -0.09380261 Ti 10.12802770 4.03584263 6.09814501 0.28137818 0.10362643 -0.09674371 Ti 8.04585436 6.07672761 6.04325090 0.58812497 0.09885857 0.17457845 Ti 0.00485725 8.03922004 4.04873840 -0.33220821 0.38141857 -0.11070024 Ti 2.01543154 10.09426935 4.05084371 -0.15439105 0.35176691 -0.16587155 Ti 2.03043506 8.10345257 6.09642969 -0.03383069 0.07897399 -0.25382130 Ti 0.00170645 10.12390135 6.03774516 0.36985212 -0.44616664 0.09119676 Ti 4.01769390 8.03890349 4.01205270 -0.00034865 0.45356884 0.22119890 Ti 6.09484727 10.09918886 4.07420500 -0.31245752 0.48319328 -0.30107899 Ti 6.07032150 8.04057354 6.02582702 -0.12067478 0.32386034 0.43283202 Ti 4.04756950 10.12204331 6.06375923 -0.05789366 0.27458923 -0.08517889 Ti 8.10767957 8.10449329 4.02009125 -0.07158394 -0.25477645 0.08912894 Ti 10.08408409 10.08070790 4.09836503 -0.11509196 -0.13197763 -0.17527686 Ti 10.12193407 8.07294688 6.06700041 0.27989625 0.12645921 0.30355601 Ti 8.05532372 10.07662984 6.03222603 0.37412438 0.44143978 0.55795366 Ti 0.02129212 0.02667176 8.11391844 0.34259146 0.39633062 -0.14466469 Ti 2.02193767 2.00797774 8.10930340 -0.31947577 0.01909207 -0.09932775 Ti 1.98349494 0.02552027 10.07554435 0.13621081 0.31079107 -0.20398074 Ti 0.01461017 1.97894143 10.13100884 0.34719874 0.14367973 -0.49816318 Ti 3.99915685 0.00976085 8.08285165 0.26315820 -0.53594406 0.25882849 Ti 6.08179321 1.98451079 8.09667858 -0.13745246 0.22669347 -0.33381735 Ti 6.12360817 0.01107959 10.06934861 -0.19944406 0.15788606 -0.16320872 Ti 4.06530321 2.04146041 10.07795381 -0.08291139 -0.34341884 0.54692979 Ti 8.09059386 0.00518516 8.08913652 0.37609247 -0.59932317 -0.20527722 Ti 10.06987890 2.04158967 8.14237349 0.60765659 -0.28014268 -0.31614489 Ti 10.12294349 0.01463513 10.08496260 -0.76589134 0.68051749 -0.73837750 Ti 8.11524790 1.98139599 10.05670905 -0.04077697 0.20356993 0.77252808 Ti 0.02479094 4.04004547 8.07514158 -0.42044091 -0.16854560 0.14923413 Ti 1.99274037 6.09554613 8.10342498 0.19902319 -0.28731844 -0.00296614 Ti 2.01471772 3.98898310 10.09268196 -0.13905190 0.23805418 0.47250944 Ti 0.02137944 6.08358963 10.11094013 0.38139238 0.03608164 -0.36803595 Ti 4.02451741 4.03306501 8.03421832 -0.05336799 -0.07386649 0.13212277 Ti 6.02697364 6.02881705 8.08539898 0.22074944 0.48754558 -0.14593297 Ti 6.04208412 4.05440834 10.05842815 0.18972367 -0.22574831 0.67286008 Ti 4.03012870 6.06840847 10.07659140 -0.21232398 -0.10243693 0.61203097 Ti 8.03897443 4.07914633 8.04433718 0.39108010 -0.33013645 0.17136129 Ti 10.13390710 6.05057981 8.11553262 0.31303325 0.16901542 -0.17731348 Ti 10.07146657 4.06027374 10.08157312 -0.15102115 -0.17895712 -0.14157492 Ti 8.11124500 6.02008945 10.09009043 -0.15360790 0.25764929 0.52987772 Ti 0.03683182 8.11135337 8.08332563 -0.65375234 0.25102201 0.26183385 Ti 2.01860282 10.11837509 8.07564357 -0.19062172 0.52213626 0.19233031 Ti 2.04714842 8.12143248 10.09853088 -0.41828533 0.03398916 0.52992942 Ti 0.00567804 10.07982489 10.10165753 0.81354436 -0.75447781 -0.78000789 Ti 4.05257912 8.09904491 8.10928910 -0.06462904 0.04919027 -0.31020883 Ti 6.03517275 10.12222261 8.05870484 0.31097975 0.27161213 0.30461667 Ti 6.06219020 8.06151997 10.06238499 0.22537262 0.30760250 0.61189587 Ti 4.00918347 10.07567537 10.10732685 0.14148359 -0.11969057 -0.27033145 Ti 8.10430950 8.08894050 8.12990679 0.02945362 0.22515250 -0.25389629 Ti 10.13449189 10.11509424 8.07151491 -0.74995325 -0.66911884 0.06548938 Ti 10.05913766 8.06428470 10.10450205 -0.29673890 0.21979511 -0.39150702 Ti 8.10809482 10.10873070 10.12769425 -0.03067260 -0.58183275 -0.72853653