108 Lattice="12.136459168289184 0.0 0.0 0.0 12.136459168289184 0.0 0.0 0.0 12.136459168289184" Properties=species:S:1:pos:R:3:forces:R:3 energy=-459.179792776452 stress="-0.00403805338575672 -1.5587260018034585e-05 0.0005603450734233791 -1.5587260018034585e-05 -0.0038833516211324247 0.00014828103145526916 0.0005603450734233791 0.00014828103145526916 -0.0040583155762791935" pbc="F F F" Ti 0.01146958 0.02240111 0.02761687 0.35916053 0.28995152 0.38998207 Ti 1.98805327 2.03966731 0.01070520 0.22939081 -0.14260668 -0.28334261 Ti 2.08060283 0.01353083 2.02959236 -0.19940437 -0.28226704 -0.08113593 Ti 0.02943269 2.00808508 2.05111975 -0.36632759 0.16675758 -0.21164055 Ti 4.07644167 0.01332696 0.02194950 -0.15523222 0.20458436 0.09059536 Ti 6.08066801 2.00073875 0.03679921 -0.09965695 0.15544918 -0.43642263 Ti 6.10166777 0.02593883 2.02035571 -0.22742629 -0.28431416 0.19236364 Ti 4.02318962 2.04629648 2.08563935 0.28569547 -0.14815844 -0.16767908 Ti 8.05685397 0.02080031 0.00829008 0.21520948 0.06100422 0.16652031 Ti 10.10027196 2.01999249 0.01055100 -0.16812908 0.03755736 0.18649160 Ti 10.12611237 0.00230618 2.07355361 -0.25020347 0.18727679 -0.15560869 Ti 8.10166856 2.05707123 2.01821310 0.16323378 -0.22039653 0.13800611 Ti 0.01112957 4.07999861 0.01867382 0.03226686 -0.11958325 0.12634645 Ti 2.00354637 6.10005036 0.00771854 0.36031383 -0.15613776 -0.35759222 Ti 2.04858927 4.01408045 2.01018168 -0.22408071 0.31218609 0.15761513 Ti 0.03519149 6.09272253 2.02291216 -0.24194823 -0.20882424 0.24192440 Ti 4.05907141 4.00928973 0.00074587 -0.09634841 0.14014489 -0.26588259 Ti 6.10682610 6.06157688 0.02748264 -0.29727584 0.01294765 -0.26381649 Ti 6.09435635 4.00641830 1.98787573 -0.20626435 0.30503704 0.45089729 Ti 4.01971076 6.06825492 2.02576485 0.16383101 -0.17171070 -0.28481276 Ti 8.09188031 4.06645437 0.02917928 0.21294077 -0.13301377 -0.39541941 Ti 10.09770735 6.10421799 0.03892293 0.01941265 -0.05425210 0.01879932 Ti 10.15133546 4.00902944 2.05706140 0.18077142 0.25718344 -0.10330482 Ti 8.13091163 6.10611961 2.00297995 -0.12714732 -0.24412271 0.44586634 Ti 0.02376848 8.08217479 0.00917705 0.05320214 0.11886753 0.08946189 Ti 2.03384142 10.14330337 0.04530497 0.07819533 -0.20591451 -0.05848852 Ti 2.04766639 8.09501081 1.99178611 -0.18797547 0.13602793 0.23452412 Ti 0.00307730 10.14854162 1.99590745 0.18672429 -0.31359916 0.27444730 Ti 4.09358875 8.10234300 0.00494402 -0.06561805 -0.05849747 -0.30587145 Ti 6.10764394 10.14029787 0.00159243 -0.06254502 -0.11440901 0.26422158 Ti 6.06851749 8.07370721 2.06122028 -0.03161719 0.14043980 -0.14614490 Ti 4.02209497 10.08564622 2.02154568 0.16470885 0.31507954 0.13933030 Ti 8.04271210 8.09286799 0.01393611 0.19077444 0.13543453 -0.30184666 Ti 10.08570340 10.08754783 0.03488860 -0.36369315 -0.34349441 0.30949425 Ti 10.09975387 8.10395107 2.04828338 0.43967405 -0.10177773 -0.18101859 Ti 8.09531076 10.07433069 2.06069754 -0.17550734 0.46767261 -0.32076176 Ti 0.01751144 0.02300230 4.00633081 0.05486018 -0.12243803 0.04246216 Ti 1.99859942 2.02948520 4.06008314 0.38198832 -0.01884051 0.18721693 Ti 1.99710382 0.02778478 6.10066188 0.33315451 -0.28294635 -0.19488267 Ti 0.03817389 1.99207340 6.07469502 -0.42107669 0.27185054 0.06710652 Ti 4.04471976 0.00688521 4.06095137 -0.03273903 -0.18809172 0.01817177 Ti 6.10736586 2.03603594 4.08131948 -0.13982619 0.21542818 -0.18514051 Ti 6.06727212 0.03021215 6.04281504 0.11075512 -0.35320688 0.24348395 Ti 4.08079016 2.05418958 6.08855520 -0.27981598 -0.00325938 -0.24933782 Ti 8.06813334 0.00949691 4.01005083 0.21706588 -0.23735421 0.12236418 Ti 10.13418422 2.02068948 4.04499693 0.11019761 -0.01737303 0.15184114 Ti 10.08097237 0.00081054 6.10093274 0.03211242 -0.03661562 -0.11768632 Ti 8.12935341 1.99008501 6.09403342 -0.28440966 0.38658512 -0.11020350 Ti 0.02797793 4.01311093 4.07616630 -0.24780207 0.27681460 -0.17815059 Ti 2.06226676 6.08496811 4.05230902 -0.45875691 -0.25494366 -0.26204823 Ti 2.02736833 4.07057364 6.09403477 0.07192021 -0.19926991 -0.13008789 Ti 0.03467906 6.05254623 6.09854767 -0.46436117 0.08517444 -0.09367648 Ti 4.02629017 4.08507304 4.07585376 0.18082757 -0.34259290 -0.11311221 Ti 6.04399849 6.07472559 4.02763978 0.28913681 -0.00448631 -0.14388639 Ti 6.10759719 4.08214805 6.08954739 -0.15494561 -0.24015902 0.04264686 Ti 4.04934016 6.09852515 6.02911016 0.22373163 -0.12016280 0.50758261 Ti 8.09805255 4.08034406 4.04712379 0.05723154 -0.15130018 -0.14641191 Ti 10.14741931 6.10021788 4.07243768 0.17815487 -0.02326032 -0.16459503 Ti 10.11757102 4.07136677 6.06404864 0.21183535 -0.08995070 0.03486498 Ti 8.06453561 6.05160692 6.04727278 0.22071368 0.46931163 0.07064030 Ti 0.02996671 8.06992541 4.03719259 -0.30747183 0.05082040 -0.13439546 Ti 2.00341855 10.09797173 4.08247401 0.19136901 0.27218547 -0.38306113 Ti 2.03029422 8.05927004 6.03121567 -0.09557610 0.32719595 0.43265446 Ti 0.01761990 10.10932703 6.03029233 0.02443881 -0.19747164 0.30834376 Ti 4.02743733 8.05907666 4.04092512 0.17591257 0.48403708 -0.04935006 Ti 6.06171257 10.15355625 4.01840189 -0.13388534 0.13082996 0.09887397 Ti 6.07813234 8.12936132 6.07714175 0.08770468 -0.19322546 -0.22442084 Ti 4.03138361 10.09073272 6.08916405 -0.01857004 0.22749106 0.02249071 Ti 8.11185892 8.12914699 4.02973099 -0.36900065 -0.43844708 0.33281958 Ti 10.07401927 10.08356871 4.03102008 0.21428041 0.19927393 0.10350343 Ti 10.09120322 8.11542787 6.07673280 0.15547648 -0.09763362 0.19618855 Ti 8.08011138 10.15178466 6.05696869 0.13236460 0.20681989 0.15388514 Ti 0.02832559 0.03899485 8.07116509 0.11430833 0.10571433 0.27623939 Ti 2.05216469 2.06102396 8.11281256 -0.10293030 -0.41059410 -0.11077406 Ti 2.04882949 0.02274253 10.15095278 -0.02616252 0.20110818 -0.33590586 Ti 0.00226128 2.05576074 10.12214733 0.13036520 -0.18345214 -0.10643818 Ti 4.05019512 0.03237199 8.05819562 -0.08385766 -0.36391313 0.11291757 Ti 6.03952204 2.05555845 8.12035632 0.34284629 -0.14333846 -0.30238906 Ti 6.04134454 0.02721071 10.12186085 0.16430659 0.01704801 -0.13029773 Ti 4.05504167 2.00372226 10.10452367 -0.13989305 0.14751542 0.41569926 Ti 8.07620354 0.00001318 8.09253579 -0.12214720 -0.18802648 0.18675280 Ti 10.09168242 2.06135677 8.06424492 0.33308581 -0.05275957 0.32759848 Ti 10.12495241 0.00349076 10.10817000 -0.46597416 0.50824329 -0.49689133 Ti 8.08448621 2.05440005 10.08757214 0.21613733 -0.18781640 0.27583175 Ti 0.03742685 4.00404532 8.10726053 -0.44639087 0.14415100 -0.16534553 Ti 2.01858702 6.10566431 8.05717985 0.25818995 -0.15185382 0.35007390 Ti 2.02325095 4.00808952 10.09525022 0.14636721 0.38420468 0.39759114 Ti 0.01248733 6.09998342 10.05493000 0.13400807 -0.21175255 0.06817299 Ti 4.02422947 4.04034635 8.07707346 0.22450074 0.45279983 0.13746582 Ti 6.10776437 6.09572587 8.10288207 -0.36210055 -0.07814969 -0.04391482 Ti 6.06688022 4.01535126 10.12152186 -0.15330224 0.24776382 0.29883970 Ti 4.04541673 6.09237414 10.13865921 -0.07620255 -0.11212786 0.08350981 Ti 8.08954578 4.08310404 8.12371717 0.08771295 -0.27404045 -0.20891896 Ti 10.09817187 6.06143235 8.10618889 0.25928483 0.18520857 -0.11233406 Ti 10.15156404 4.07512752 10.14300284 -0.17664403 -0.13947583 -0.14367436 Ti 8.07957411 6.05582367 10.10662290 0.02789459 0.08214695 0.45877231 Ti 0.02267529 8.09447649 8.12656851 -0.37543236 0.19160590 -0.49283864 Ti 2.00200693 10.11009880 8.11945611 0.15635683 0.22033296 -0.47617107 Ti 1.99440061 8.13883338 10.10601035 0.23077809 -0.32792428 0.41355849 Ti 0.03905593 10.13807854 10.08224105 0.09776392 -0.19219760 -0.14344970 Ti 4.05452095 8.06451102 8.10573107 -0.10268455 0.14610691 -0.06743318 Ti 6.10464598 10.09796953 8.08406238 -0.15354139 0.40197885 0.13280645 Ti 6.10524641 8.12162590 10.10658122 -0.17310229 -0.08769644 0.40289144 Ti 4.00924684 10.10682715 10.09660572 0.18778654 -0.07993597 -0.10262421 Ti 8.09676919 8.10885028 8.12157760 0.25342576 -0.05917549 -0.31484005 Ti 10.15410950 10.10862580 8.12885824 -0.27713885 -0.17758211 -0.17338716 Ti 10.09314816 8.07887148 10.14773083 -0.06750772 -0.17382881 -0.14542355 Ti 8.12129940 10.09448377 10.12681922 -0.09620635 0.02840113 -0.11846159