108 Lattice="10.610921164846513 0.0 0.0 0.0 10.610921164846513 0.0 0.0 0.0 10.610921164846513" Properties=species:S:1:pos:R:3:forces:R:3 energy=-325.1918434601706 stress="-0.006857153175808382 -0.00022030305088109874 0.0008405496705281227 -0.00022030305088109874 -0.006777392630229063 -0.000247147792817874 0.0008405496705281227 -0.000247147792817874 -0.006954132765451828" pbc="F F F" Cu 0.00701189 0.01521109 0.02205388 0.53981683 0.46498751 0.46184570 Cu 1.79859715 1.76421757 0.00361062 -0.28631807 -0.28555223 -0.37056402 Cu 1.78683829 0.03253067 1.80013285 -0.05935230 -0.57521681 -0.32180376 Cu 0.01222821 1.73700865 1.77480292 -0.40050690 0.14315803 -0.15819353 Cu 3.51894560 0.00076945 0.00169722 0.10845241 0.22185586 0.30965950 Cu 5.26698462 1.79691662 0.00670415 0.08712097 -0.21863512 -0.28220188 Cu 5.34004282 0.01819200 1.79115804 -0.39571613 -0.35370183 -0.25075767 Cu 3.51860937 1.76994630 1.80237134 0.30551043 -0.27021517 -0.40835970 Cu 7.05663092 0.01767911 0.01034807 0.03012576 0.25423144 0.15834971 Cu 8.87230442 1.73663486 0.00633901 -0.44554548 0.20557732 0.33779746 Cu 8.84165468 0.03054844 1.74604681 -0.25438951 0.13668342 0.05688127 Cu 7.05267204 1.73855947 1.74738670 0.33907312 0.33300820 -0.11714777 Cu 0.01604984 3.50930737 0.00541738 0.11944220 -0.06038254 0.09409877 Cu 1.74213429 5.33157866 0.02291723 0.05414953 -0.06116348 -0.39946869 Cu 1.74676507 3.49239880 1.73359846 0.08402059 0.31134345 0.26424405 Cu 0.01222897 5.27154830 1.76038156 -0.38326090 0.17155797 -0.10693289 Cu 3.50170170 3.51655929 0.00003836 0.10900680 0.22343582 -0.29417669 Cu 5.30986047 5.28572452 0.01527380 -0.14463706 0.12032504 -0.24108965 Cu 5.28594690 3.51183034 1.79794493 0.15163388 0.30906477 -0.35690999 Cu 3.50656488 5.33265234 1.74406771 0.12031564 -0.20639004 0.06959226 Cu 7.07061740 3.56066471 0.01139542 0.16379531 -0.25395996 -0.19054607 Cu 8.82643859 5.32901254 0.03530951 0.00155275 -0.13451888 -0.07734895 Cu 8.84881371 3.57054305 1.76778432 0.13071494 -0.30628082 -0.09134276 Cu 7.07546269 5.33629766 1.76721733 -0.17421398 -0.34569602 0.23877362 Cu 0.03048685 7.09082183 0.00308397 0.06499596 -0.10012843 0.19179183 Cu 1.73552418 8.83694288 0.00826096 0.14744003 -0.16228525 0.16959914 Cu 1.73188937 7.11113630 1.78362628 0.28385820 -0.11478247 -0.09219068 Cu 0.01497268 8.80949046 1.75741614 0.04410210 -0.03286896 0.08727651 Cu 3.53369138 7.10369527 0.02958732 -0.06373380 -0.03468503 -0.34317829 Cu 5.28177556 8.83646339 0.02132143 0.15257884 -0.17160866 0.13794222 Cu 5.31407369 7.10278150 1.79608919 -0.09584178 -0.16574703 -0.32120707 Cu 3.51649898 8.86861729 1.75967825 -0.13701777 0.20037180 0.08214479 Cu 7.08827843 7.04429326 0.01839245 -0.14521610 0.41704174 -0.38854513 Cu 8.85795200 8.82389385 0.02493592 -0.54506442 -0.50050543 0.50771636 Cu 8.82874176 7.04511956 1.74373500 0.44008272 0.41670432 0.21114560 Cu 7.04637921 8.84909267 1.77410416 0.36570724 0.27147785 -0.16324036 Cu 0.02716831 0.04479823 3.52987701 0.01990307 -0.06148312 0.03359187 Cu 1.79241449 1.75229718 3.50399048 -0.23313479 0.31754402 0.45055865 Cu 1.75408750 0.02620957 5.32297142 0.01619777 -0.50071543 -0.11524936 Cu 0.02294182 1.77565785 5.28047588 -0.40099398 -0.06340378 0.15662550 Cu 3.56802436 0.02151084 3.58316751 -0.14403804 -0.56819050 -0.24985183 Cu 5.29815632 1.78042008 3.55795820 0.19637897 -0.27378171 -0.11397034 Cu 5.30289849 0.01177362 5.30217729 0.18637128 -0.28832948 0.24360951 Cu 3.53662083 1.76080297 5.29541033 -0.07105257 0.18484098 0.20426616 Cu 7.06567897 0.00532822 3.51586984 0.16573856 -0.37240648 0.13140023 Cu 8.81349383 1.76073222 3.52116944 0.44279436 0.08410673 -0.17663819 Cu 8.85810182 0.03382646 5.27390848 -0.25894957 0.11997376 0.17546524 Cu 7.10744686 1.77190436 5.27786093 -0.12662148 -0.12336360 0.45411981 Cu 0.00946179 3.56503594 3.54842826 -0.30842803 -0.24674098 -0.13341617 Cu 1.77395697 5.30577995 3.51653053 0.09983060 -0.11401024 0.05571649 Cu 1.73592721 3.54451073 5.33551422 0.50527269 -0.20404758 -0.48473090 Cu 0.03047152 5.30985857 5.30840273 -0.58796762 0.11527182 -0.14310248 Cu 3.57205223 3.51138735 3.51783262 -0.50759913 0.35910476 0.24621141 Cu 5.27384497 5.33185095 3.55332050 0.37468977 -0.21950147 -0.25087346 Cu 5.32638852 3.50631609 5.32038145 -0.18335584 0.21712413 0.11026238 Cu 3.55026751 5.30466858 5.29088962 -0.06870902 -0.10190638 0.33927307 Cu 7.04239691 3.51094294 3.52965669 0.28018912 0.26318056 -0.15090126 Cu 8.84965301 5.27847410 3.54991406 0.25442804 0.22365105 -0.07755942 Cu 8.87350698 3.55114528 5.28679528 0.11695595 -0.13757318 0.20194653 Cu 7.05731319 5.30374922 5.27222601 0.20885040 0.05742194 0.12960820 Cu 0.00552331 7.04742101 3.51902231 -0.40157393 0.10313029 0.11248607 Cu 1.73322860 8.84117458 3.56110328 0.21310335 0.25110190 -0.11841111 Cu 1.76414726 7.07682357 5.32452431 0.14463203 0.07286257 -0.16336385 Cu 0.02537785 8.82580953 5.29421399 0.01895749 -0.18135414 0.14416644 Cu 3.56117321 7.04647823 3.54948425 -0.44315209 0.43121506 -0.14819769 Cu 5.27079722 8.84646571 3.51046783 0.21067090 0.41556172 0.10564005 Cu 5.33571027 7.10410043 5.30318507 -0.09334002 -0.11841195 0.05111805 Cu 3.55904313 8.84811756 5.28227215 -0.21960762 0.25832659 0.07230887 Cu 7.11065990 7.09816096 3.51699694 -0.02032677 -0.05085520 0.12782542 Cu 8.86143576 8.86178066 3.54702774 -0.19657966 -0.29282556 -0.19412554 Cu 8.85483347 7.09125286 5.32891217 0.26965383 -0.05852081 -0.17462695 Cu 7.10140147 8.83264366 5.27057344 -0.10685175 0.40382708 0.16099855 Cu 0.03250408 0.01937132 7.10662187 0.14529381 0.24945723 -0.08589300 Cu 1.79277079 1.74205392 7.05124867 -0.23676353 0.22304242 0.36352718 Cu 1.77106865 0.03342062 8.83712143 -0.00004515 0.21765457 -0.13750472 Cu 0.02773052 1.80588304 8.81417339 0.27731599 0.00317544 -0.23832308 Cu 3.52607896 0.01258495 7.09697556 0.15276793 -0.36337618 0.01313202 Cu 5.28384737 1.78637942 7.10943218 0.18859701 -0.25132100 -0.27153903 Cu 5.33433653 0.02176717 8.84301124 -0.14665805 0.06684239 -0.08113184 Cu 3.54672342 1.77532761 8.87194843 -0.09660400 -0.09510742 0.30865824 Cu 7.04772140 0.00079788 7.09340125 0.19358866 -0.22007638 -0.26710976 Cu 8.82379982 1.76713942 7.09093547 0.24895789 0.08024638 -0.07533767 Cu 8.81049827 0.03294685 8.81422229 -0.33103093 0.28801089 -0.32623872 Cu 7.07553451 1.74174831 8.82936762 0.08285720 0.20760137 0.39261102 Cu 0.03105524 3.56214606 7.05458288 -0.54128050 -0.25111827 0.28490331 Cu 1.75510764 5.28244737 7.04645757 0.27514227 0.28626397 0.22460043 Cu 1.79427591 3.56320663 8.82504552 -0.23737030 -0.18263099 0.39705852 Cu 0.03382265 5.34033047 8.82807170 -0.00073276 -0.21081563 -0.06509409 Cu 3.51616804 3.52022300 7.09592715 0.24617354 0.17392042 -0.20762917 Cu 5.33869989 5.32783113 7.08110187 -0.26953546 -0.06388788 -0.09363645 Cu 5.32780526 3.53615577 8.83143784 -0.14421209 0.08742796 0.48135983 Cu 3.51845279 5.32838616 8.82162050 0.12135210 -0.17608989 0.38441599 Cu 7.06061067 3.55923639 7.09576957 0.37448005 -0.23541529 -0.20102834 Cu 8.81587051 5.33018961 7.07068106 0.35314565 -0.18510717 0.04707917 Cu 8.81701400 3.55395099 8.87723460 -0.14712526 -0.12979638 -0.29865386 Cu 7.09442463 5.28442678 8.86146929 -0.07488957 0.27368376 0.33616384 Cu 0.02076799 7.04134305 7.06766494 -0.33203677 0.41782007 0.09348306 Cu 1.78521166 8.87464938 7.05645889 -0.10490703 0.10329045 0.20148417 Cu 1.75073927 7.04045131 8.83537504 0.04393283 0.47667310 0.23242683 Cu 0.02356924 8.84713893 8.81049724 0.51664268 -0.53094370 -0.50672752 Cu 3.51675479 7.08305702 7.10248277 -0.02086367 0.06431048 -0.22851092 Cu 5.27033863 8.80971835 7.06538161 0.23326951 0.41492896 0.23267866 Cu 5.27353229 7.05979430 8.83680823 0.28808794 0.28142365 0.35751305 Cu 3.51325407 8.87502991 8.87505880 -0.05878000 -0.37794371 -0.32744220 Cu 7.09151170 7.08232708 7.08155184 -0.12144991 0.08377179 0.10515721 Cu 8.81493867 8.82698311 7.08149720 -0.08846731 -0.14551884 -0.04508460 Cu 8.82536436 7.06300650 8.83698144 -0.20974189 0.05120567 -0.19020522 Cu 7.10916722 8.86636858 8.80856352 -0.24412919 -0.37892600 -0.22499553