64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-137.70051502587498 stress="-241.1820412683043 -63.668188135958665 3.104961498790999 -63.668188135958665 -223.3578412066341 -9.797886254989393 3.104961498790999 -9.797886254989393 -213.97305293105234" pbc="F F F" Ti -0.26830928 -0.17934997 0.06076336 -1.66462855 -1.31451486 -1.47341999 Ti 1.05226607 0.92420956 1.13465067 3.20744182 -6.39459218 -0.90337454 Ti 1.99916772 2.58575492 -0.09448792 0.76792180 1.31949964 -2.78625254 Ti 3.31833338 3.50777777 1.68676112 3.39113139 -3.81940863 -3.06936027 Ti 3.46218886 0.34836566 2.14981165 -1.90823985 -1.74349137 -2.27316173 Ti 4.17532873 1.36920319 3.86839780 -2.95491407 -1.20294876 2.74589551 Ti 0.49568208 2.33895030 1.96225158 -4.22425294 5.28129272 3.70602873 Ti 1.74440990 3.83709541 3.38663542 -2.85051423 0.86622311 4.49338754 Ti 5.15649193 0.01831772 -0.03251201 -0.90328286 -0.51750146 -1.62794337 Ti 6.00391425 1.04005465 1.73751989 -3.20466265 0.35131444 0.04109900 Ti 7.08695912 2.37905724 0.18903695 0.46835349 1.67921172 -0.75259387 Ti 8.73983044 4.12216539 1.54854626 -0.92943260 -0.37100090 0.25043009 Ti 7.51397313 0.15235498 1.77091915 5.81062494 -3.79432825 0.09286411 Ti 8.30674320 1.36709042 4.16718886 10.44037034 -13.29716117 -10.86591530 Ti 5.19043104 2.67296034 2.85933324 -6.71140315 -3.96898716 -8.16868492 Ti 6.16217446 3.67869982 3.51041789 6.92584153 5.83555891 4.74421298 Ti -0.09311220 5.19022902 0.08004274 -0.70606585 -1.71736198 0.00025193 Ti 1.52907522 6.66251581 0.79587726 -23.12367957 -22.48814514 17.20507343 Ti 2.21968342 7.46763330 0.21430809 20.76202546 24.54428907 -21.04555261 Ti 3.49178589 8.67230826 1.41352489 2.59690391 1.75897885 2.78039211 Ti 2.32960201 5.14163085 2.06037196 -0.41005604 4.65304958 -0.61750371 Ti 4.03996588 6.10502645 3.76024180 -19.17783880 -7.39520069 5.10528916 Ti -0.24069542 7.99797760 2.97514941 -5.88490584 -1.52128448 -5.60429231 Ti 1.01066074 8.20237483 4.05602904 -0.47092199 1.59084047 2.62602763 Ti 5.09636834 5.16277211 0.30719846 -3.10670049 -5.12264224 -2.53098169 Ti 5.94831467 6.50306836 1.07362887 1.21769975 2.41158837 3.28728870 Ti 7.17670380 7.53229395 -0.03246019 2.28515932 1.87023691 -2.47101369 Ti 8.57104319 8.77881557 1.20701615 -0.06032284 -0.14166346 1.15005111 Ti 7.20267555 5.18675433 3.33294561 4.16414323 2.87112176 -2.44704855 Ti 8.83949368 6.81866708 4.36225589 20.49318194 -4.22672679 -4.38881552 Ti 5.14713072 6.79780858 3.29114484 15.89759199 11.41199507 -7.10646215 Ti 6.12172894 8.80156401 3.39374095 0.57562772 3.11032927 -0.68011140 Ti 0.78871695 -0.19928206 4.93633917 -0.89287720 -2.24740517 -1.20246264 Ti 1.70876449 1.62514664 5.88269961 -7.25380555 -4.59350797 23.63301624 Ti 2.06947767 2.04388240 4.63495144 5.32951995 6.80087669 -20.43075020 Ti 4.27159534 3.61932009 6.51231548 -0.74521483 -1.99023736 1.29257769 Ti 3.31777263 0.48340045 7.30829075 -1.94007378 -2.95007817 -8.32117093 Ti 3.55945596 0.74800569 8.85741053 0.71459095 1.41261490 10.35331422 Ti -0.02265906 2.24710467 8.29924625 0.22391413 -0.76379333 -0.78367188 Ti 1.30866074 4.13974970 8.46475159 -4.53705088 -2.77881763 3.74939057 Ti 5.17383054 0.07784186 5.15715807 -2.26519339 -8.94096910 -7.17932079 Ti 5.77270453 0.88076190 6.39655315 5.23678054 4.49400674 7.75735017 Ti 7.49949709 2.31423933 4.94671599 -15.40750351 2.55874283 4.35432011 Ti 8.36024924 3.34836202 5.80898852 7.25775649 9.75151768 8.06764677 Ti 7.64903959 -0.24410382 7.90304701 -0.58433120 -0.85639875 -0.41388796 Ti 8.54609583 1.59397550 8.42955791 1.27354810 0.65877933 -0.10829560 Ti 5.30556394 2.53147559 8.03571455 -10.23655407 -5.92935244 1.63785680 Ti 6.63988671 3.26232711 8.30074168 10.95825379 5.39116241 3.70876485 Ti 0.16294126 4.72724451 5.71360238 0.42037546 -1.62969914 -0.71834126 Ti 0.63493496 6.77728204 6.69538734 3.44620960 -1.18925469 -11.02254985 Ti 2.70206652 7.99534309 4.65412581 4.38589994 -1.69218853 1.15035109 Ti 3.63861785 9.22346738 5.96678582 1.71621209 1.15331284 2.14041714 Ti 2.55424963 4.91484569 7.54510282 3.08841639 2.83167393 -4.47173262 Ti 3.86196727 6.22455501 9.01532117 -1.28906151 -1.01256268 4.09790053 Ti 0.19869916 7.15968910 8.19376232 -6.72488305 -1.74076110 9.13264363 Ti 1.33456358 8.47886836 8.71734856 4.54275412 4.39848916 1.80097054 Ti 4.31632469 4.48911902 4.82366581 -1.00764638 -2.00255866 0.92194715 Ti 6.27961966 6.09408336 6.70407375 -8.81263359 4.46117038 -12.07653444 Ti 7.51566051 7.17498390 4.69611908 -17.23643030 7.15736921 6.40317141 Ti 8.26921710 9.09616764 6.80684407 -0.73890059 -1.39546806 0.00705142 Ti 7.34585423 5.37034144 7.45084756 12.36289868 -7.63768799 6.81856859 Ti 8.58348534 6.54578704 8.83207674 1.07219176 1.56338425 0.87710403 Ti 4.86110765 7.05248891 7.56639832 -5.56926559 3.70448803 -2.30804189 Ti 6.35752553 8.16125412 8.53000970 2.49990709 2.49458199 1.71659326