108 Lattice="12.11608885668735 0.0 0.0 0.0 12.11608885668735 0.0 0.0 0.0 12.11608885668735" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.8260542196963 stress="-0.0057390683343301946 0.0003336891720477615 0.0003364388599020596 0.0003336891720477615 -0.005624152941758861 4.338751366758362e-05 0.0003364388599020596 4.338751366758362e-05 -0.006130405674025324" free_energy=-441.8260542196963 pbc="F F F" Ti 0.01056711 0.00274790 0.03865263 0.78763596 0.84274324 0.76849132 Ti 2.04932600 2.00965286 0.00277858 -0.36967111 -0.11843621 -0.37868505 Ti 2.04041373 0.00209245 1.97401560 -0.25339858 -0.37584720 0.05932437 Ti 0.02622235 2.03646490 2.04624075 -0.48773844 -0.39887126 -0.45905433 Ti 4.05945425 0.00761084 0.02915305 -0.11983293 0.22254301 0.09304037 Ti 6.03346067 2.03760916 0.01440817 0.18817495 -0.09930370 -0.64543689 Ti 6.06620916 0.03330673 1.95605812 0.00072743 -0.58964302 0.31791398 Ti 4.05325639 2.05996738 2.02076915 -0.26253021 -0.36295292 0.02833380 Ti 8.10420125 0.01564220 0.02950791 0.12531175 0.59489974 0.40251790 Ti 10.13076965 2.05304277 0.00627902 -0.68215953 -0.14308722 0.62415788 Ti 10.06963171 0.00825277 2.05919985 -0.35644274 0.55685638 -0.19817593 Ti 8.07339375 2.02968972 2.03051209 0.19711869 -0.16606135 -0.29424637 Ti 0.02909013 4.04400914 0.02343403 0.16987746 -0.21033350 0.15037505 Ti 2.01615331 6.03154147 0.03508218 -0.23164746 0.33267956 -0.72609539 Ti 1.97366414 4.06633628 2.04656123 0.39074786 -0.37699746 -0.15331981 Ti 0.00721506 6.05030945 2.00611790 -0.62930596 0.26237560 -0.01615082 Ti 3.99990489 4.05326248 0.03401285 0.07118110 -0.09773372 -0.67626342 Ti 6.06279906 6.04763566 0.02674199 0.18033547 0.27069906 -0.69504457 Ti 6.05494538 4.07722378 2.00803602 -0.04764134 -0.35559793 0.37700209 Ti 4.04367844 6.08578851 1.98588082 -0.14235632 -0.27908126 0.47062983 Ti 8.04270476 4.03941472 0.03970434 0.50411728 -0.10109102 -0.61242087 Ti 10.08725888 6.04816659 0.00203233 -0.39903239 0.00896616 0.49188774 Ti 10.09940355 4.01411680 2.03447314 0.39701454 0.17935342 -0.17625975 Ti 8.07060030 6.05071111 2.05848083 0.32944380 0.18683893 -0.18864975 Ti 0.01823239 8.09911629 0.01253736 0.45331455 -0.09036054 0.33989632 Ti 2.01543971 10.09651174 0.00586367 0.10223446 -0.52556371 0.44307682 Ti 2.01910592 8.07818097 2.01760851 -0.17747627 0.22864333 -0.15507616 Ti 0.02762310 10.06668669 1.95865512 0.39747074 -0.37929708 0.23913564 Ti 4.04936927 8.03960074 0.00119836 -0.10458867 0.52848157 -0.50057253 Ti 6.10869047 10.08259637 0.03924630 -0.06264345 -0.35887893 0.26754803 Ti 6.04184139 8.08095552 2.05541970 0.30742660 0.14544915 -0.26799720 Ti 4.04998487 10.11348183 2.01530773 -0.09763156 0.30710341 -0.10614535 Ti 8.11443165 8.08086795 0.01162424 0.01606007 0.14020762 -0.36025175 Ti 10.12760182 10.12109558 0.02213917 -0.88204776 -0.81296421 0.78574417 Ti 10.06264305 8.12721500 2.01183982 0.70364276 -0.05925565 -0.22118187 Ti 8.09388627 10.10047160 2.03453067 0.13271116 0.57042704 -0.26131995 Ti 0.02222141 0.04574571 4.06119648 0.15224767 -0.09696599 -0.27971174 Ti 1.99809439 1.97380466 4.06707883 0.14114609 0.30605989 -0.58294002 Ti 2.05433974 0.03890698 6.06422379 -0.53381068 -0.89773381 0.32090354 Ti 0.01365228 1.99269055 6.02044151 -0.58503264 0.11418069 0.53563219 Ti 3.99745797 0.03498092 4.07309161 0.20909975 -0.82659156 -0.62062728 Ti 6.04705036 1.98022292 4.07178169 0.10098364 0.39164860 -0.39350999 Ti 6.04003676 0.01750280 6.03631880 0.20846809 -0.69212839 0.35709569 Ti 4.01816006 1.99482265 6.04046709 0.33515529 0.42600761 0.45704549 Ti 8.07872090 0.02534098 4.02082100 0.14820629 -0.60088473 0.05461550 Ti 10.09243163 2.04834689 4.05190718 0.55708882 -0.23039181 -0.07740523 Ti 10.13141117 0.01760127 6.02922618 -0.47660893 0.45278983 0.18417217 Ti 8.09609276 2.02536195 6.04509920 0.06207677 -0.16118878 0.32994867 Ti 0.02260313 4.01863648 4.02248973 -0.71208671 0.17898504 0.27688129 Ti 2.03490561 6.03334481 4.05385526 -0.06931740 0.25677788 -0.06272167 Ti 2.05496671 4.01055437 6.03265840 -0.33855551 0.16682400 0.31895069 Ti 0.01927751 6.09004811 6.08705778 -0.46754911 -0.20294132 -0.06111035 Ti 4.01809284 3.98571028 4.01534349 0.20980410 0.38071505 0.07489585 Ti 6.04844716 6.05174853 4.05656352 -0.07977038 0.01317091 -0.32114053 Ti 6.07131113 4.07508300 6.04879519 -0.35101327 -0.53640758 0.04651663 Ti 4.03410259 6.07996227 6.05845020 -0.16724745 -0.09337100 0.11273389 Ti 8.04226006 4.02031412 4.04741440 0.34436516 0.15524675 -0.03532473 Ti 10.13645366 6.09672409 4.04926149 0.26080223 -0.22199782 -0.09383370 Ti 10.12803681 4.03584627 6.09815049 0.28141477 0.10358957 -0.09676726 Ti 8.04586162 6.07673309 6.04325636 0.58803779 0.09885616 0.17461444 Ti 0.00485726 8.03922730 4.04874205 -0.33212686 0.38145049 -0.11071319 Ti 2.01543336 10.09427845 4.05084736 -0.15437245 0.35169833 -0.16584356 Ti 2.03043688 8.10345986 6.09643517 -0.03388121 0.07902896 -0.25383213 Ti 0.00170645 10.12391046 6.03775061 0.36982425 -0.44616438 0.09120166 Ti 4.01769753 8.03891075 4.01205632 -0.00036554 0.45358325 0.22115005 Ti 6.09485275 10.09919796 4.07420866 -0.31244249 0.48314062 -0.30109699 Ti 6.07032697 8.04058080 6.02583247 -0.12067152 0.32388771 0.43282824 Ti 4.04757315 10.12205242 6.06376469 -0.05790004 0.27461218 -0.08517792 Ti 8.10768687 8.10450059 4.02009488 -0.07157294 -0.25474779 0.08906178 Ti 10.08409319 10.08071700 4.09836871 -0.11507051 -0.13193849 -0.17529633 Ti 10.12194318 8.07295416 6.06700588 0.27995720 0.12643925 0.30345209 Ti 8.05533100 10.07663893 6.03223148 0.37408727 0.44147868 0.55793761 Ti 0.02129213 0.02667178 8.11392574 0.34263852 0.39637997 -0.14465739 Ti 2.02193950 2.00797955 8.10931070 -0.31942022 0.01908437 -0.09934397 Ti 1.98349674 0.02552029 10.07555344 0.13617643 0.31079858 -0.20402728 Ti 0.01461018 1.97894323 10.13101796 0.34718608 0.14364843 -0.49811934 Ti 3.99916047 0.00976085 8.08285893 0.26315030 -0.53593095 0.25884481 Ti 6.08179868 1.98451259 8.09668587 -0.13744672 0.22667118 -0.33381898 Ti 6.12361367 0.01107960 10.06935770 -0.19941529 0.15788635 -0.16327467 Ti 4.06530687 2.04146224 10.07796290 -0.08289538 -0.34344683 0.54692704 Ti 8.09060115 0.00518516 8.08914381 0.37608764 -0.59921725 -0.20528418 Ti 10.06988799 2.04159150 8.14238081 0.60754206 -0.28018269 -0.31611566 Ti 10.12295261 0.01463514 10.08497169 -0.76594778 0.68056162 -0.73845960 Ti 8.11525520 1.98139779 10.05671813 -0.04072038 0.20356159 0.77247390 Ti 0.02479095 4.04004911 8.07514886 -0.42046970 -0.16856489 0.14921545 Ti 1.99274218 6.09555161 8.10343227 0.19905903 -0.28723757 -0.00292520 Ti 2.01471954 3.98898671 10.09269106 -0.13906811 0.23803029 0.47251031 Ti 0.02137946 6.08359511 10.11094924 0.38142612 0.03613690 -0.36802300 Ti 4.02452104 4.03306864 8.03422558 -0.05339434 -0.07389890 0.13204767 Ti 6.02697909 6.02882250 8.08540627 0.22077296 0.48759191 -0.14603631 Ti 6.04208958 4.05441199 10.05843723 0.18974536 -0.22574860 0.67282504 Ti 4.03013233 6.06841393 10.07660049 -0.21234518 -0.10246141 0.61206077 Ti 8.03898169 4.07914999 8.04434445 0.39103712 -0.33018332 0.17139425 Ti 10.13391622 6.05058527 8.11553992 0.31315028 0.16896815 -0.17727928 Ti 10.07147565 4.06027739 10.08158221 -0.15105958 -0.17895143 -0.14164180 Ti 8.11125230 6.02009489 10.09009953 -0.15363484 0.25771719 0.52989502 Ti 0.03683183 8.11136067 8.08333292 -0.65374650 0.25100933 0.26176056 Ti 2.01860465 10.11838420 8.07565085 -0.19058573 0.52200790 0.19235272 Ti 2.04715026 8.12143979 10.09853999 -0.41824310 0.03402093 0.52986324 Ti 0.00567805 10.07983398 10.10166664 0.81352954 -0.75446579 -0.78003906 Ti 4.05258277 8.09905220 8.10929639 -0.06465513 0.04917302 -0.31017735 Ti 6.03517820 10.12223173 8.05871212 0.31096805 0.27156459 0.30466946 Ti 6.06219567 8.06152724 10.06239408 0.22543472 0.30757967 0.61182166 Ti 4.00918710 10.07568446 10.10733595 0.14146661 -0.11971431 -0.27039225 Ti 8.10431680 8.08894779 8.12991410 0.02937991 0.22515956 -0.25381195 Ti 10.13450102 10.11510336 8.07152219 -0.74996628 -0.66915149 0.06551514 Ti 10.05914675 8.06429197 10.10451116 -0.29679486 0.21978125 -0.39152474 Ti 8.10810211 10.10873981 10.12770337 -0.03071306 -0.58180477 -0.72853745