108 Lattice="10.60362819861616 0.0 0.0 0.0 10.60362819861616 0.0 0.0 0.0 10.60362819861616" Properties=species:S:1:pos:R:3:forces:R:3 energy=-322.31356700516824 stress="-1.9366120446592543 -0.9415900710737621 0.13023899443827158 -0.9415900710737621 -2.305758778735425 0.30078201658810855 0.13023899443827158 0.30078201658810855 -2.31772235072825" pbc="F F F" Cu -0.02089052 -0.02083774 -0.02718580 0.54202156 0.57019111 0.61285816 Cu 1.77546666 1.70701191 -0.00973411 -0.21615787 0.14257582 -0.15469282 Cu 1.77931069 -0.02079832 1.73964600 -0.23712507 -0.09895320 0.15118323 Cu 0.00204341 1.77362879 1.79028980 -0.06476279 -0.18394288 -0.11154866 Cu 3.56058091 -0.03013544 -0.00563689 -0.02567345 0.21999114 0.11435869 Cu 5.30676572 1.79791121 -0.01356667 -0.15291616 -0.18183943 -0.31691163 Cu 5.27504418 0.01744541 1.76297444 0.21979077 -0.29421531 -0.06844354 Cu 3.52386890 1.77545847 1.75480875 -0.06141387 -0.08255454 -0.07946330 Cu 7.07946194 0.01287731 0.00035536 -0.20568606 0.14383213 0.23735861 Cu 8.81320953 1.75449508 0.06100009 -0.09314865 0.27542283 0.03664117 Cu 8.86449481 -0.01839205 1.73589570 -0.33884567 0.23030343 0.20252078 Cu 7.02718604 1.79059038 1.73657256 0.36839754 -0.22115499 0.06750776 Cu 0.01333378 3.54158420 0.01782970 0.14869847 -0.21822945 0.09339053 Cu 1.74935763 5.28906452 -0.01270780 0.01020294 0.24699758 -0.14337066 Cu 1.77769968 3.52191603 1.77318844 -0.18573909 0.02617676 -0.01857826 Cu -0.01802244 5.27156259 1.78669382 -0.16507015 0.15702939 -0.20293857 Cu 3.49262962 3.53229590 -0.01698285 0.15463036 0.04795923 -0.23834470 Cu 5.32801692 5.31620587 0.03264171 -0.33723003 0.10228929 -0.35323949 Cu 5.27452520 3.52474734 1.76967055 -0.03895999 0.26216257 -0.19892112 Cu 3.50231444 5.31022790 1.79123208 0.27338216 0.13829817 -0.49136558 Cu 7.04224924 3.56160542 -0.00674916 0.30061243 -0.14104205 -0.28411113 Cu 8.86038281 5.31460014 -0.00065898 -0.18529614 0.01259816 0.05974719 Cu 8.84933628 3.57180976 1.77411033 0.14162181 -0.17751602 -0.06100477 Cu 7.07731850 5.29449737 1.73270824 -0.00493450 0.16737484 0.37543877 Cu -0.01659457 7.08562020 -0.02711889 0.29862090 -0.13676366 0.44369748 Cu 1.77907074 8.80386587 -0.01373294 -0.09567369 -0.15533456 0.31835128 Cu 1.74110120 7.03915670 1.77152857 0.06674733 0.44794496 -0.26824995 Cu -0.01496645 8.85874211 1.79240606 0.32988302 -0.36871694 -0.09903269 Cu 3.53903218 7.09532614 -0.00591587 -0.08211781 -0.34413365 -0.16787337 Cu 5.28459031 8.84230918 0.03828022 0.27701073 0.07047090 -0.20827679 Cu 5.33534131 7.12770648 1.74305456 -0.18086750 -0.51176700 0.28487593 Cu 3.55855206 8.84838872 1.73301901 -0.39522793 0.13413912 0.47945990 Cu 7.09963142 7.10198003 -0.02225630 -0.06660861 -0.06429238 -0.17163512 Cu 8.84957411 8.80759807 0.01561514 -0.40488064 -0.38512141 0.51482313 Cu 8.81693902 7.03589315 1.77618512 0.30890143 0.12421844 -0.07405765 Cu 7.06644937 8.82713809 1.80142250 0.15419739 0.36032758 -0.28379301 Cu -0.01600162 -0.01110240 3.56292388 0.29904240 0.28379982 -0.15126896 Cu 1.78900388 1.78514931 3.54375972 -0.26697120 -0.15836113 -0.11532165 Cu 1.77167785 -0.01333144 5.28174950 -0.08292032 -0.05921982 0.12365248 Cu -0.00349181 1.79936115 5.29878795 -0.29943566 -0.26970278 0.04631234 Cu 3.53960094 0.02305088 3.52439386 -0.11864598 -0.43434443 -0.04678778 Cu 5.28479597 1.78352856 3.50870787 0.16888119 -0.25148938 0.20139871 Cu 5.29642838 -0.01915710 5.28940875 0.12613833 -0.11692189 0.07019481 Cu 3.55946664 1.77895773 5.27427098 -0.24095552 -0.18155628 0.32214416 Cu 7.09093452 0.03502480 3.51114046 -0.18159640 -0.28935748 -0.05026255 Cu 8.81847063 1.76138968 3.49939294 0.30508361 0.12474093 -0.03369126 Cu 8.82122206 0.03803855 5.30601574 0.07975641 -0.08436764 -0.15042234 Cu 7.08377421 1.76094579 5.33597748 -0.19677238 -0.01062902 -0.32071093 Cu -0.00560542 3.57195983 3.56746820 -0.24016104 -0.19861058 -0.22917563 Cu 1.78412014 5.32342121 3.54384832 -0.32765808 -0.35273124 0.09699129 Cu 1.71994232 3.52119958 5.33280195 0.29591385 0.12694394 -0.34213629 Cu -0.03439550 5.29882107 5.31736926 -0.18141293 0.16882327 -0.05402536 Cu 3.55277353 3.58442137 3.55826519 -0.24430995 -0.34057353 -0.10327488 Cu 5.29244698 5.33575663 3.51262022 0.27479613 -0.13245355 0.03549686 Cu 5.28915061 3.49088615 5.33337254 0.22752879 0.22593559 -0.21133174 Cu 3.51195169 5.26974595 5.33341015 0.20831390 0.22357208 -0.24583655 Cu 7.04013845 3.49915973 3.51243648 0.21811800 0.33216962 0.20458164 Cu 8.85127816 5.29015080 3.56298197 0.07351870 -0.05382824 -0.13189536 Cu 8.83560797 3.53718468 5.31037197 0.23134811 -0.22063237 0.04553450 Cu 7.04135435 5.26850789 5.33185077 0.18650648 0.10969438 -0.29362891 Cu 0.02736587 7.04421114 3.51842635 -0.42131223 0.16954374 0.17627954 Cu 1.73252558 8.85363241 3.55013725 0.27614890 0.11183757 -0.15479783 Cu 1.79764692 7.05483783 5.29932504 -0.56501070 0.24627969 0.18279893 Cu -0.00652878 8.84009885 5.30689880 0.21135348 -0.31763653 0.09427117 Cu 3.51584223 7.05925288 3.55935211 0.14370291 0.34001748 -0.37348092 Cu 5.31661395 8.81669444 3.57213332 -0.09040997 0.38270193 -0.17892781 Cu 5.31929186 7.05111428 5.28157143 -0.02552245 0.05494201 0.26361188 Cu 3.54900466 8.80876409 5.31625928 -0.12539854 0.54832122 -0.05288936 Cu 7.10008772 7.07820366 3.55979683 -0.17878401 -0.39785188 -0.28336492 Cu 8.82094363 8.81968184 3.50061843 0.14988658 0.00620741 0.01484337 Cu 8.85080768 7.05213205 5.27345708 0.26808167 0.07330259 0.29420017 Cu 7.12113928 8.80579395 5.28629897 -0.16031190 0.38240521 0.21103297 Cu -0.00643553 0.03114347 7.06464025 0.33258261 0.24068592 -0.08464216 Cu 1.77742072 1.79717916 7.05430593 -0.17091535 -0.36869499 0.12588714 Cu 1.79974750 -0.02164873 8.81761673 -0.11138980 0.34385881 -0.21844146 Cu 0.03114399 1.78631946 8.83024744 0.16334518 -0.09062960 -0.19681438 Cu 3.50287015 0.01446874 7.05989696 0.27288005 -0.28822866 -0.06021209 Cu 5.32386343 1.75093990 7.10360097 -0.12035792 -0.28281398 -0.20899949 Cu 5.34815627 -0.02643329 8.87162561 -0.05352423 0.17944206 -0.33988040 Cu 3.56770214 1.74933340 8.80300723 -0.20451573 -0.03810636 0.42918574 Cu 7.09747953 -0.02856313 7.04735896 -0.23872446 -0.29959437 0.29206587 Cu 8.81185705 1.70311561 7.09147920 0.42654443 0.34241602 0.12287635 Cu 8.83895874 -0.02626956 8.85766923 -0.53876748 0.46625875 -0.45292884 Cu 7.07040999 1.76059419 8.83225968 0.12648446 -0.13579208 0.33130109 Cu -0.01363291 3.56345954 7.08367641 -0.31671588 -0.24295483 0.04484603 Cu 1.77715306 5.27408485 7.04802820 -0.21478541 0.24242552 0.25078276 Cu 1.77027632 3.50993597 8.86034537 0.02493893 0.12116147 0.17428916 Cu 0.00120081 5.32245963 8.78251545 0.11850460 -0.09136918 0.14479193 Cu 3.51555182 3.53762242 7.06335682 0.14372514 -0.27617475 0.22037666 Cu 5.27043006 5.29895652 7.03985434 0.17244332 0.04296611 0.44338566 Cu 5.28681137 3.51936499 8.84322813 0.11597984 0.23745003 0.24018545 Cu 3.50224736 5.30251872 8.82124298 0.14429523 0.02823191 0.28331285 Cu 7.05899492 3.50819460 7.07543330 0.25318775 0.18294823 0.24934928 Cu 8.81866386 5.33050388 7.05115568 0.37512110 -0.16867287 0.17612685 Cu 8.86335252 3.50163257 8.84831312 -0.29071255 0.06664537 -0.34735137 Cu 7.09062112 5.32110988 8.81054309 -0.08632580 -0.33180025 0.32666831 Cu -0.00188122 7.03396452 7.06459134 -0.07721934 0.47600147 -0.02610691 Cu 1.76424063 8.85552770 7.09284233 -0.25810615 0.09471814 -0.14986099 Cu 1.77056838 7.05276366 8.81303031 -0.16647704 0.18354488 0.21433228 Cu 0.01152434 8.86254754 8.86007284 0.53427168 -0.62847098 -0.58352216 Cu 3.51946944 7.09678597 7.03865902 0.19390875 -0.23794423 0.32041442 Cu 5.34990731 8.81467285 7.05069242 -0.09658706 0.24693225 0.07583830 Cu 5.30941701 7.03859239 8.84726079 -0.10736970 0.13323265 0.13341174 Cu 3.52582943 8.80891172 8.80495350 0.12558942 -0.07275082 -0.04249556 Cu 7.07042720 7.05855734 7.09905246 0.11036154 0.20668382 -0.29794747 Cu 8.83451523 8.86227460 7.05335898 -0.23798114 -0.37832739 0.01366182 Cu 8.81935414 7.09745294 8.85460202 -0.11162970 -0.05076054 -0.26166536 Cu 7.07210804 8.84351684 8.83699091 -0.08497260 -0.20821423 -0.19869466