108 Lattice="12.136462251164222 0.0 0.0 0.0 12.136462251164222 0.0 0.0 0.0 12.136462251164222" Properties=species:S:1:pos:R:3:forces:R:3 energy=-459.15520514724864 stress="-0.004062512649906411 0.00011854239493605653 -0.0005553048406448864 0.00011854239493605653 -0.003946526783087376 -0.000712548257373519 -0.0005553048406448864 -0.000712548257373519 -0.0041033209819811125" pbc="F F F" Ti 0.01856066 0.03012649 0.03812037 0.34181377 0.34853039 0.30198541 Ti 2.08010580 2.00786088 0.03514866 -0.25840930 0.20282236 -0.44819533 Ti 2.04742061 0.03561046 2.01187024 -0.08986387 -0.47903212 0.16519904 Ti 0.03833942 2.04414360 2.02861214 -0.46760534 -0.10179134 -0.17238574 Ti 4.06717070 0.02328431 0.01673386 0.01635451 -0.17029056 -0.11487811 Ti 6.04378080 2.05782694 0.03958117 0.15944972 0.16577057 -0.46755900 Ti 6.04663124 0.01031811 2.03828561 0.19452546 -0.55831370 -0.04056140 Ti 4.08437031 1.99216445 1.99548267 -0.35908807 0.56249912 0.49063214 Ti 8.03630438 0.03988205 0.01568559 0.07293312 0.06577067 0.09602941 Ti 10.14198790 2.01223477 0.03400589 -0.23840658 0.16818494 0.15737580 Ti 10.12051780 0.02812886 2.03551790 -0.22841698 0.06405492 0.07052432 Ti 8.05193104 1.99715153 2.01429605 0.27874935 0.43502080 0.10400708 Ti 0.03844024 4.06990547 0.01557579 -0.01837816 -0.21314090 -0.10601628 Ti 2.03142273 6.07710493 0.00154017 -0.14312951 0.14049531 -0.41605669 Ti 1.98379844 4.06257614 1.99972992 0.51035210 -0.23464921 0.34647768 Ti 0.01572292 6.05382060 2.01998689 -0.35414642 0.24535964 0.17008770 Ti 4.02095902 4.07483200 0.01383251 0.03557169 -0.16197950 -0.30691688 Ti 6.07475401 6.04246794 0.00529242 0.07620040 0.25855408 -0.10436689 Ti 6.04464478 4.07555725 2.05876551 0.16566126 -0.20310843 -0.20218297 Ti 4.01704480 6.04537776 2.01900587 0.07530985 0.02723091 0.11152567 Ti 8.12707705 4.06222053 0.00802953 -0.13233097 -0.22667759 -0.09315000 Ti 10.11508324 6.06631102 0.02751324 -0.07478413 0.15259274 0.09290613 Ti 10.12015677 4.05761918 2.06290308 0.10340060 -0.10432975 -0.05036569 Ti 8.10266936 6.05145978 2.06231549 -0.05027772 0.13696893 -0.40896283 Ti 0.00058291 8.12042321 0.01383774 0.22323044 -0.09882728 0.28600171 Ti 2.00797749 10.14841964 0.00610989 0.15437257 -0.23599132 0.27016382 Ti 2.04835373 8.07616107 2.01320101 -0.28158766 0.15549958 0.09606971 Ti 0.03286549 10.13977356 2.09390400 0.14088003 -0.26304843 -0.09262484 Ti 4.01786887 8.07154758 0.00438416 0.17858612 0.15548518 -0.26843349 Ti 6.07688437 10.11306635 0.03099355 -0.12770781 -0.12706564 -0.00419625 Ti 6.03605200 8.09689563 2.05907007 0.32514191 -0.19154631 -0.43642903 Ti 4.06061262 10.09884580 2.03547812 -0.09397452 0.34139806 -0.17632566 Ti 8.08418212 8.11508339 0.00601779 -0.08589847 -0.24824464 -0.16477920 Ti 10.14310447 10.09386048 0.01412138 -0.35157967 -0.24121150 0.24611674 Ti 10.09144712 8.12644590 1.99637999 0.33368735 -0.19527310 0.14952484 Ti 8.08131203 10.12957173 1.99193804 0.13200731 0.22576904 0.24768019 Ti 0.01722082 0.05455982 4.07665184 -0.12982032 -0.18622927 -0.32331550 Ti 1.98434107 2.00905622 4.02840240 0.68286152 0.29530799 -0.00615643 Ti 2.01261894 0.01851233 6.03640678 0.29313483 -0.27063689 0.27418619 Ti 0.00909439 1.98436375 6.09499967 -0.28656601 0.36076900 0.15687271 Ti 4.06016352 0.00962082 4.02882966 -0.16212549 -0.25412602 0.17026338 Ti 6.06861444 1.99295985 4.03334244 -0.04191846 0.30882832 0.12847290 Ti 6.09940093 0.03123863 6.06827210 -0.16129043 -0.35701188 0.19098457 Ti 4.03784352 2.04256033 6.08499476 -0.08326781 -0.31036935 -0.27108700 Ti 8.09450497 0.03367265 4.05300049 0.17411767 -0.40114575 -0.07717804 Ti 10.13103336 2.05169372 4.02410073 0.13809637 -0.05634211 0.07295010 Ti 10.14877478 0.01109478 6.09713458 -0.14554562 0.01305349 -0.12034696 Ti 8.12515028 1.99647078 6.05557384 -0.13756608 0.21283336 0.04242340 Ti 0.01161238 3.98408556 4.06552614 -0.38702850 0.25190880 0.05186751 Ti 2.00254444 6.04650470 4.05598438 0.17388537 -0.04874889 -0.23383875 Ti 2.05371028 4.03911174 6.06591997 -0.19880027 -0.02721360 0.10540787 Ti 0.04004772 6.05358026 6.08461454 -0.43876297 -0.10177249 0.17307908 Ti 4.08327686 4.06383710 4.07943029 -0.28935120 -0.22119624 -0.26811596 Ti 6.10677457 6.08637770 4.02811595 -0.18669216 0.00080342 0.27756095 Ti 6.09476535 4.03535925 6.08087096 0.15278235 0.25126255 -0.00820673 Ti 4.05637127 6.10577859 6.06747813 0.08078651 -0.21903118 -0.03225860 Ti 8.05004113 4.05782998 4.07591282 0.23957460 -0.31257731 -0.17200634 Ti 10.09825267 6.09106256 4.06975290 0.53121493 -0.12290869 -0.16866143 Ti 10.07403832 4.04748112 6.08094618 0.42318117 -0.16747741 -0.20420380 Ti 8.13028873 6.09654243 6.05799099 -0.37813551 -0.02557113 0.21269022 Ti 0.02166504 8.09235308 4.07738227 -0.23507810 0.04853776 -0.18655582 Ti 2.07881006 10.13292569 4.01165065 -0.10024957 0.05716968 0.22703566 Ti 2.01816263 8.05215985 6.03274844 0.15766564 0.51994418 0.23654593 Ti 0.03653639 10.14254771 6.10599936 0.12770876 -0.14699810 -0.16580734 Ti 4.07893349 8.04544330 4.01053483 -0.26285798 0.16922214 0.23115070 Ti 6.09360486 10.11568499 4.03355111 0.10943965 0.18587885 0.08043619 Ti 6.09313355 8.07938447 6.07965821 0.17679807 0.17071463 -0.07566821 Ti 4.06930151 10.10589271 6.03788521 -0.14949964 0.08547516 0.19763287 Ti 8.12747267 8.05955847 4.00641034 -0.26547667 0.46964094 0.10329528 Ti 10.11816870 10.09203605 4.07231991 -0.06992467 0.07320651 -0.34244337 Ti 10.13107736 8.12303121 6.02784877 0.32369184 -0.20518474 0.27075681 Ti 8.12189748 10.12847025 6.04603041 -0.24092658 0.13918187 0.04457699 Ti 0.03033821 0.02353581 8.09540783 0.16468421 0.06798897 0.04047043 Ti 2.02351345 2.05200059 8.12469105 0.05226806 -0.30287179 -0.13642632 Ti 2.01715123 0.01484824 10.15199472 0.04145760 0.14469508 -0.17379908 Ti 0.00325501 2.02418203 10.14683396 0.08105921 -0.00191109 -0.10039696 Ti 4.01632664 0.02565378 8.11800132 0.07117290 -0.24502436 -0.17584094 Ti 6.06855030 2.05709587 8.05067728 0.18367689 -0.19236422 0.33299244 Ti 6.08606143 0.02850134 10.12328836 0.03411355 0.06159530 -0.16363092 Ti 4.06582099 1.98689140 10.14588693 -0.11259013 0.27317052 0.17060205 Ti 8.10340947 0.02520361 8.12998250 -0.09764871 -0.41412379 -0.21748734 Ti 10.08682699 2.00779745 8.06218246 0.45931777 0.12544465 0.23010552 Ti 10.09772856 0.00715021 10.15410118 -0.27383748 0.35166525 -0.39844381 Ti 8.11651525 2.01567647 10.07788748 -0.20557474 0.24825153 0.36538798 Ti 0.02160754 4.01422061 8.12196830 -0.35428435 0.10023299 -0.32077498 Ti 2.03848547 6.10340481 8.10094000 0.04908668 -0.21522958 -0.19375549 Ti 2.01121027 4.03015902 10.07795544 0.35317307 0.06015789 0.42252270 Ti 0.03008344 6.06839424 10.06870115 -0.07266731 0.02046755 0.04990031 Ti 4.06403606 4.02488607 8.05227401 -0.20842007 0.17225979 0.29013213 Ti 6.03540838 6.08210732 8.11406927 0.45525025 -0.09428117 -0.26191575 Ti 6.04257206 4.04603240 10.11779872 0.22991588 -0.24270095 0.22428461 Ti 4.08033158 6.04203086 10.07900878 -0.32731925 0.02676299 0.44014455 Ti 8.12315921 4.07263229 8.10605640 -0.43010732 -0.15763505 -0.18203857 Ti 10.14912106 6.02803187 8.03454945 0.32770346 0.46934867 0.23593579 Ti 10.09326077 4.06666016 10.09005582 0.12578686 -0.19485996 -0.00485581 Ti 8.10765127 6.04474431 10.09198173 -0.20251294 0.31279152 0.25247138 Ti 0.00309853 8.12344915 8.11394570 -0.26422948 -0.24340431 -0.27498982 Ti 1.99452324 10.11714545 8.11712211 0.39531147 0.09922333 -0.22943611 Ti 2.03505133 8.05408976 10.11038551 0.07980504 0.18522481 0.30312439 Ti 0.00144955 10.09018319 10.07327740 0.28272224 -0.24523617 -0.10103948 Ti 4.06178903 8.08511637 8.08142264 -0.22333673 0.37808530 -0.04767396 Ti 6.10121290 10.15284588 8.09024935 -0.08507655 0.11628722 -0.13996196 Ti 6.03055250 8.12405190 10.10505706 0.28965046 -0.14267424 0.25441250 Ti 4.02703098 10.10962614 10.09945292 -0.05688713 -0.05316893 -0.12061472 Ti 8.12456785 8.08125866 8.08291409 -0.11206154 0.02308434 0.08027826 Ti 10.11588721 10.09749179 8.05282139 -0.16072681 -0.12421111 0.12617291 Ti 10.09231386 8.09863029 10.13555361 -0.18845567 -0.14221984 -0.33008026 Ti 8.05325073 10.12984143 10.10416104 0.10288305 -0.20150462 -0.16603579