32 Lattice="6.970852838986199 0.0 0.0 0.0 6.970852838986199 0.0 0.0 0.0 6.970852838986199" Properties=species:S:1:pos:R:3:forces:R:3 energy=-109.953704839 stress="-0.08644009234076318 -0.08710944377628199 -0.03659867280694918 -0.08710944377628199 -0.15157556673340547 -0.06550243178005442 -0.03659867280694918 -0.06550243178005442 -0.09834943481792152" pbc="F F F" C 0.14150665 -0.02976987 0.01820241 1.75951835 3.09113784 2.71053323 Ti 1.86787607 1.85396821 0.12182415 -2.78051188 -3.85351702 -2.64097960 Fe 1.72691747 0.13993000 1.77649859 -0.13999281 -0.88425825 0.14274565 Fe -0.15578742 1.61331343 1.54475563 0.16267049 -1.94352995 -0.60875177 C 3.48482884 0.19963978 -0.16956552 -0.53134590 -1.89534167 0.07158225 C 5.15295587 1.86278702 -0.14769768 0.92534255 0.64266819 -0.33783762 Ti 5.40233085 -0.17008326 1.78266872 -3.03015455 2.97456556 -0.01908550 C 3.45104966 1.77648608 1.52118893 -1.64276035 1.50641048 2.61741869 Ti -0.07293527 3.76246494 0.11757870 -0.34344661 -1.31934165 -2.43042935 C 1.57812907 5.18960677 -0.23049744 1.17267042 -0.66641421 1.17417001 Fe 1.84230970 3.42981932 1.85474285 -1.08601387 -0.06813079 -1.30162996 Fe 0.05598148 5.04674494 1.93000554 -2.52239789 1.59063857 -0.42690455 Ti 3.30149308 3.80046210 -0.04908462 3.79594639 0.15961964 -0.87701616 C 5.46271391 5.27155630 -0.14406624 -2.30402760 -0.66227125 0.63882607 C 5.42803099 3.49156624 1.74692639 -0.94489167 3.76309146 2.10605891 Ti 3.26538325 5.37695722 1.81231631 1.67693758 2.88818814 -3.40810462 C -0.13019810 -0.17417836 3.44545755 1.48757318 -0.06403218 -1.22624246 Fe 1.96030610 1.92798501 3.46815149 -1.28721235 -8.11880251 -6.65905378 Ti 1.51060578 0.16447080 5.23260468 -1.11517404 -2.11787157 -0.46196174 C 0.11546698 1.74242538 5.21024017 0.71109223 3.13158909 -1.48408029 C 3.30924931 0.14684337 3.73627750 -1.95472900 -2.07981410 0.03170335 C 4.98676478 1.77540396 3.38283747 2.90850978 0.32331329 0.96528899 Fe 5.36589186 0.19194802 5.31119828 -0.46480040 0.33186605 -1.83841616 Ti 3.48243037 1.79458795 5.10243615 3.20137964 -3.16247992 2.43805480 Fe -0.01618020 3.16419961 3.56613594 -2.22912113 -0.54512832 0.80003203 Fe 1.52558770 5.24163325 3.32519315 1.31146971 1.30201144 3.91819834 Ti 1.77430222 3.26371846 4.99186585 -4.59313731 5.62147854 7.83636165 Fe 0.15848220 5.22344034 5.24146984 0.18827187 0.02535481 0.09681361 Ti 3.57406836 3.73326059 3.49615042 3.77404229 -2.94594570 -3.01231772 Fe 5.29256259 5.26733375 3.10841480 1.44419508 -0.86481234 -0.39406719 Fe 5.04807096 3.35564892 5.43519347 2.32977336 1.75616245 0.31038500 Ti 3.43373689 5.33363536 5.26406999 0.12032443 2.08359587 1.26870590