108 Lattice="12.13646227364642 0.0 0.0 0.0 12.13646227364642 0.0 0.0 0.0 12.13646227364642" Properties=species:S:1:pos:R:3:forces:R:3 energy=-459.29194009160733 stress="-0.003829594109893974 0.00023578404367546136 0.00019405465436680373 0.00023578404367546136 -0.0038446034158444264 0.0001172604900831044 0.00019405465436680373 0.0001172604900831044 -0.0036189596891644743" pbc="F F F" Ti 0.02686032 0.02519557 0.01401227 0.13989450 0.10973665 0.10931339 Ti 2.02090203 1.98475159 0.00140458 0.06274741 0.50244029 -0.42474012 Ti 2.01505312 0.03615793 1.98472122 0.05722803 -0.50403759 0.35524386 Ti 0.04016151 1.99134300 1.98374672 -0.42855636 0.31479162 0.37694072 Ti 4.04060359 0.04846238 0.03097770 0.14582228 -0.11335409 -0.15116110 Ti 6.10918539 2.05773156 0.02162983 -0.07459257 -0.08634639 -0.37936527 Ti 6.06349062 0.01022115 2.02075599 0.12661954 -0.22252449 0.12506952 Ti 4.04872371 2.01982134 1.98686922 -0.03204120 0.14847585 0.23595886 Ti 8.02836300 0.00300130 0.01725197 0.12462952 0.06036819 0.11203995 Ti 10.05561122 2.02513833 0.03026275 0.03416835 -0.00761468 -0.13846576 Ti 10.12259289 0.00066844 2.01003299 -0.20038259 0.07294575 0.03946962 Ti 8.11601962 2.04008168 1.99682271 -0.35693978 -0.10807286 0.32330467 Ti 0.01879635 4.06093116 0.02842247 0.15299748 -0.04251100 0.10496688 Ti 2.01576182 6.10851452 0.01059814 0.15963397 -0.09923361 -0.10852052 Ti 2.00520642 4.05315202 2.06030544 0.14338035 -0.10685247 -0.30054731 Ti 0.00487089 6.08007135 2.07455490 -0.29616109 0.07788864 -0.14781797 Ti 4.05832863 4.01225733 0.01546776 -0.32609093 0.05798762 -0.38559579 Ti 6.02927652 6.06960582 0.02638543 0.11503224 0.04644379 -0.36591308 Ti 6.06012104 4.03886777 2.01297733 0.15218104 -0.14350996 0.15151515 Ti 4.02753543 6.03704520 2.01098963 -0.12224239 0.26514501 0.16040760 Ti 8.09648119 4.07542955 0.00306198 -0.18496856 -0.08503882 -0.42271322 Ti 10.09299296 6.02789994 0.04571441 0.06477769 0.18545468 -0.08773149 Ti 10.10740450 4.02761358 1.99973645 0.29618181 0.19247647 0.33989820 Ti 8.05089103 6.03119981 2.01831843 0.21863250 0.22902830 0.23767178 Ti 0.01328878 8.07339846 0.02636488 0.08578470 -0.06343069 0.02132946 Ti 2.08102853 10.09426664 0.01459123 -0.11944188 -0.06983221 0.03377117 Ti 1.98884639 8.13090100 2.06057105 0.41086266 -0.47406272 -0.36483214 Ti 0.03406337 10.05823620 2.00403540 -0.08902648 0.21332154 0.06633404 Ti 4.06581643 8.12656240 0.00436185 -0.11929933 -0.15985194 -0.07875601 Ti 6.04350339 10.14330413 0.01921142 0.18851165 -0.16576988 0.17933822 Ti 6.03400483 8.09241952 2.06246463 0.06204338 0.03458483 -0.11792414 Ti 4.01612353 10.15392852 2.04870482 0.21632236 0.21843908 -0.08320189 Ti 8.08504396 8.05982691 0.01346518 -0.16359468 0.17808939 -0.13382004 Ti 10.08713297 10.11150827 0.01397665 -0.42239960 -0.31533195 0.34576405 Ti 10.12152373 8.08905909 1.98106083 0.05436579 -0.00771571 0.30078478 Ti 8.06124466 10.11954621 2.05956680 0.15483094 0.04422506 -0.14256022 Ti 0.02695326 0.03478930 4.07021689 0.06317877 0.08486498 -0.19982040 Ti 2.04781643 2.04734375 4.04430744 -0.10800876 -0.10805869 -0.14246256 Ti 1.99926415 0.00769331 6.07108661 0.19082613 -0.27407336 0.05313504 Ti 0.03343623 2.03340161 6.08047931 -0.37199633 0.05201561 0.11391759 Ti 4.01570868 0.02306053 3.99325941 -0.10745388 -0.38341572 0.11553152 Ti 6.05723983 1.98719510 4.04995962 0.16136553 0.16641245 -0.22894382 Ti 6.03166015 0.01020987 6.04505259 0.12510078 -0.33298512 0.14505718 Ti 4.03786203 2.01545351 6.06249054 -0.00461186 0.09625512 0.08714933 Ti 8.12317860 0.01577906 4.03855058 -0.19281184 -0.35091378 -0.22938929 Ti 10.11204744 2.03348299 3.99270406 0.32673231 0.00214657 0.19101041 Ti 10.07600548 0.01024196 6.07124939 0.19568767 0.05843517 -0.07235436 Ti 8.09302773 1.98933648 6.03645320 -0.05531660 0.44726331 0.14917410 Ti 0.01147932 4.06218461 4.05263094 -0.39856601 -0.31764757 -0.08746004 Ti 2.01666337 6.06716764 4.06510952 0.19005894 -0.03351881 -0.08934317 Ti 2.01555897 4.01969390 6.06743481 0.28235055 0.19588057 0.17609393 Ti 0.01015500 6.06036320 6.04407893 -0.31892497 0.14843333 0.27477124 Ti 4.08374734 4.01340320 4.01824072 -0.25835289 0.12115610 0.06028975 Ti 6.07512785 6.04457993 4.06711556 -0.15678529 0.21000572 -0.24001647 Ti 6.03891878 4.07421649 6.03396730 0.23765271 -0.26480758 0.24051899 Ti 4.03574088 6.07495260 6.05166715 -0.11813821 -0.20523706 -0.11689252 Ti 8.06448952 4.03810458 4.05200946 0.16284306 -0.07726527 -0.13614512 Ti 10.12416950 6.09404383 4.06510600 0.22892289 -0.11032379 -0.47807968 Ti 10.11637304 4.07035432 6.02942069 0.14974474 -0.33994970 0.26709243 Ti 8.12321221 6.08550766 6.05728226 -0.18023163 -0.22479844 0.28282152 Ti 0.03080133 8.11903970 4.05416249 -0.36567167 -0.05745494 0.21541586 Ti 2.03870906 10.12278227 4.01259646 -0.15632352 0.38315552 0.40242063 Ti 2.02781195 8.06006159 6.11158335 -0.03538801 0.40458629 -0.20876663 Ti 0.03042607 10.12225507 6.09934665 0.12447079 -0.12578350 -0.12031677 Ti 3.98553476 8.08898196 4.02358235 0.31872533 -0.01079658 0.16900494 Ti 6.06768826 10.13078476 4.05615332 -0.14544959 0.14159399 0.01734623 Ti 6.06871172 8.05695566 6.06242866 -0.23651988 0.32845625 -0.19124861 Ti 4.03680488 10.15335183 6.06472355 -0.10296940 -0.05459488 0.11056383 Ti 8.07615949 8.05360622 4.05471499 0.11982815 0.19198319 -0.25008695 Ti 10.10543618 10.08007060 4.08509501 -0.15725810 -0.13715760 -0.15846967 Ti 10.12272152 8.06202775 6.06667293 0.23609245 0.22165679 0.25950909 Ti 8.05066497 10.09206126 6.06672751 0.16879462 0.21644001 0.05110703 Ti 0.00629664 0.01016800 8.11508605 0.20744798 0.16603986 -0.07645722 Ti 2.03468798 2.02389734 8.11517466 -0.12626808 0.12850823 -0.15063273 Ti 2.07503527 0.06877247 10.12851667 -0.01626319 -0.14846429 -0.07005570 Ti 0.03184676 1.98872573 10.15232446 0.04040579 0.26983027 -0.20328365 Ti 4.02951499 0.02643545 8.07359812 0.07831833 -0.31908634 -0.05824198 Ti 6.09318863 2.05767420 8.08726272 0.02835685 -0.39685353 -0.28494019 Ti 6.03666876 0.02665733 10.10419506 0.24401878 0.03201857 -0.21270095 Ti 4.07367617 2.01415412 10.08042638 -0.07812870 0.14312426 0.43792136 Ti 8.11605528 0.01695392 8.05505361 -0.39908096 -0.38039536 0.22974396 Ti 10.10408933 1.99321122 8.11683436 0.32711285 0.48214714 -0.27253915 Ti 10.13913043 0.02325360 10.08373491 -0.32282759 0.18481602 -0.24568472 Ti 8.11615363 1.99994484 10.10101247 -0.09146569 0.08594334 0.36313987 Ti 0.01070232 4.07239705 8.11634715 -0.13879068 -0.17623258 -0.04138576 Ti 2.05509688 6.09032887 8.09660772 -0.22156882 -0.31644368 0.13063902 Ti 2.04515096 4.01828884 10.12815831 -0.04672304 0.02310203 0.18636102 Ti 0.01016423 6.05145067 10.12565058 0.17655528 0.12166530 -0.11213351 Ti 4.08366325 4.02584812 8.09578071 -0.40134502 0.11767624 -0.23453492 Ti 6.03175126 6.08860113 8.05178915 0.31938147 -0.18657770 0.38442642 Ti 6.05201437 4.00567858 10.08653650 0.23346291 0.27424737 0.47402773 Ti 4.03175523 6.03767012 10.14100935 0.11737967 0.21466649 0.20357806 Ti 8.06560457 4.04030471 8.09543745 0.29299291 0.08556324 -0.22350177 Ti 10.13692802 6.05369549 8.10432363 0.13142219 0.07351097 -0.05152188 Ti 10.12684176 4.06750402 10.14224615 -0.08868897 -0.25246576 -0.17677384 Ti 8.12016197 6.03453928 10.12663430 -0.34829645 0.15740098 0.08696274 Ti 0.02108186 8.11319987 8.11671474 -0.41853282 -0.38843002 -0.14411049 Ti 1.98613185 10.09993704 8.12000349 0.52570674 0.29652523 -0.08515887 Ti 1.99940624 8.10209886 10.14839547 0.26958699 -0.10788320 0.23091358 Ti 0.01450254 10.09494754 10.07983815 0.14621585 -0.16049262 -0.10231618 Ti 4.04917836 8.05243183 8.09146248 -0.04384885 0.56400918 0.23973997 Ti 6.06180657 10.13063408 8.08785715 -0.04375944 0.18857855 0.07555567 Ti 6.10052557 8.11844467 10.11525593 -0.15250911 -0.25376346 0.21117368 Ti 4.05052299 10.13605968 10.15127809 -0.09491786 -0.29527234 -0.30511942 Ti 8.05469609 8.08410444 8.07356800 0.33751136 -0.03093587 0.18458195 Ti 10.07731536 10.11727424 8.09610102 -0.19934558 -0.26454661 -0.15267968 Ti 10.10025172 8.08056597 10.11516708 -0.15913377 -0.08564732 -0.22372834 Ti 8.10538842 10.09858560 10.14759666 -0.12688908 -0.08459289 -0.22885454