32 Lattice="8.245391845703125 0.0 0.0 0.0 8.245391845703125 0.0 0.0 0.0 8.245391845703125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.302305004 stress="-0.03282097137754089 -0.017899953157640286 -0.025471919907766063 -0.017899953157640286 -0.06966594540892432 0.002052577776486351 -0.025471919907766063 0.002052577776486351 -0.05927274198476958" pbc="F F F" Ti -0.18092382 -0.06363923 0.38433944 0.21178226 0.08980091 0.28802591 Ti 2.13953721 2.17645011 0.16726117 0.09688691 -0.41720719 -1.14966847 Ti 1.91849827 0.22294984 2.28444206 1.42671851 -0.53462650 -1.44510715 Ti 0.14074429 2.29101447 1.82236224 -1.01417298 -1.54053006 2.06796829 Ti 4.30383296 -0.11783204 0.16986776 -0.92059770 -0.42285245 0.28947968 Ti 6.01091574 1.83813933 0.00975214 0.97159608 0.60084931 -0.47686274 Ti 6.39697094 -0.12129480 2.06507849 -0.72721292 0.49623141 0.24156040 Ti 4.17671839 2.07410962 1.91364365 0.41123976 -0.33946572 1.31349050 Ti -0.24520479 4.09738945 0.12988511 0.59888593 1.50186097 -0.62360410 Ti 2.08435875 6.04426555 -0.22458667 -0.33603482 -0.63907074 0.98018651 Ti 2.12488770 4.04710226 2.26838062 0.24814503 0.99569887 -2.78954314 Ti 0.12027217 5.98423965 2.26842915 0.01159535 0.02061199 -0.48342892 Ti 4.33862834 4.28119030 0.16564762 -1.39264832 -1.15446777 -1.77368510 Ti 6.27472150 6.16681165 -0.02562292 0.47348162 0.16250300 0.02876204 Ti 6.22939872 4.04077093 1.87811222 0.78815332 0.06958664 0.67934761 Ti 4.23579698 6.23230664 1.83957709 -0.56739789 0.73425326 0.21955027 Ti 0.09783925 0.05502824 4.12847389 -0.33235171 0.61048846 1.00093054 Ti 2.19886257 2.24951528 4.06324859 -1.17572641 -3.26261153 1.19986147 Ti 2.42208229 -0.00036771 6.21999360 -0.23096210 0.29558437 -0.36551857 Ti -0.15297606 2.27785091 6.26408486 -0.19482338 -2.07274719 0.44076753 Ti 4.34889502 -0.08087218 4.20885304 -0.63511241 0.40601970 -1.79641941 Ti 6.39037027 2.15316715 4.06034756 -0.43812157 -0.48809044 0.21409133 Ti 5.97290657 -0.01081259 6.14119293 0.40248454 0.25266303 0.92307801 Ti 4.27972172 2.20352546 6.22560966 -0.89724442 -2.03681771 0.83966340 Ti 0.04985539 3.90829188 4.33359033 -1.25911341 1.54804759 -2.20729614 Ti 2.41881983 5.97400544 3.98044139 -1.32400723 1.98112266 0.56666015 Ti 1.88424671 3.91219944 6.08399225 1.67290003 0.11824361 1.96497337 Ti 0.38823531 6.03791545 6.40078510 0.39824895 0.57895913 -0.36517777 Ti 4.01999571 3.97461647 4.35986853 1.56845879 0.12741252 -1.96356040 Ti 5.83841631 5.89317913 3.93699331 0.03406350 0.55733686 0.60909243 Ti 5.96750131 4.06602004 6.04023653 1.78919593 1.16894653 0.91243993 Ti 3.75385170 5.94188239 6.25391815 0.34169075 0.59226649 0.65994257