108 Lattice="10.633395218112454 0.0 0.0 0.0 10.633395218112454 0.0 0.0 0.0 10.633395218112454" Properties=species:S:1:pos:R:3:forces:R:3 energy=-314.20322140233714 stress="-0.5414834977500318 0.4864837103667714 0.4643530599745169 0.4864837103667714 -1.102883159361907 0.6382978397224566 0.4643530599745169 0.6382978397224566 -0.4477951766160846" pbc="F F F" Cu -0.03062387 0.01873694 -0.02534331 0.56458663 0.51546044 0.57794038 Cu 1.78216769 1.71634225 -0.01399292 -0.21430566 0.10959688 -0.28678213 Cu 1.79122249 0.01405233 1.76360274 -0.10372439 -0.33041025 -0.09372235 Cu -0.02366700 1.76550286 1.74559668 -0.14823920 -0.09066988 -0.08863064 Cu 3.59789522 -0.00854927 -0.00669058 -0.15487877 0.09437804 0.22030893 Cu 5.29347597 1.73408633 0.01698878 0.27990175 0.20982875 -0.38192996 Cu 5.34769051 0.00439179 1.78041668 -0.01534678 -0.40120378 -0.04686919 Cu 3.52969500 1.79607645 1.74931354 0.07321471 -0.20475471 0.19638537 Cu 7.08919106 -0.02906887 -0.02766796 0.01958380 0.42753762 0.41456286 Cu 8.85986530 1.75791268 -0.03407221 -0.39493228 0.02007007 0.46733883 Cu 8.85241875 0.01087936 1.77853122 -0.36403388 0.36311736 -0.07903641 Cu 7.07300540 1.78392514 1.75064754 0.25289213 -0.12067601 -0.05913436 Cu -0.02882384 3.56388706 0.02980765 0.26743743 -0.19762434 0.07534295 Cu 1.73771981 5.34308412 -0.00330406 0.08977995 -0.09431827 -0.41768370 Cu 1.78321350 3.55620581 1.75695277 -0.13308100 -0.13058327 -0.07238289 Cu -0.01862270 5.29352718 1.74684658 -0.31286622 0.15803622 0.20961870 Cu 3.52564745 3.51884565 0.02594913 0.03177246 0.10651828 -0.51527512 Cu 5.30316834 5.32110224 -0.00787982 0.18889463 -0.07499048 -0.29790038 Cu 5.33283340 3.56948690 1.80313894 -0.11450483 -0.22252545 -0.34441234 Cu 3.54117762 5.33441896 1.73705481 0.07133780 -0.04393256 0.26340741 Cu 7.12265845 3.55374937 -0.02162501 -0.16419491 -0.12567132 -0.22619646 Cu 8.85873776 5.30196172 0.00603303 -0.16997462 0.12862742 0.23299570 Cu 8.83246550 3.55871417 1.80082578 0.42734679 -0.13947625 -0.22730366 Cu 7.08536066 5.31678522 1.79655397 0.14804464 0.10553554 -0.25855749 Cu -0.01315900 7.05039647 0.00439033 0.26807568 0.16725508 0.29106457 Cu 1.78351874 8.83685496 -0.01673477 0.02947556 -0.42169807 0.42466535 Cu 1.75677094 7.06258566 1.77701318 -0.10175822 0.22355371 -0.12885877 Cu 0.02241799 8.85185612 1.76740157 0.29022537 -0.36137731 -0.02667083 Cu 3.56360224 7.05841240 -0.00863279 -0.07626223 0.32535627 -0.26178553 Cu 5.34403750 8.86361187 -0.03493903 -0.00659956 -0.29941145 0.36904126 Cu 5.36445562 7.10318703 1.79978703 -0.25394103 -0.11071277 -0.25456172 Cu 3.56579796 8.82640225 1.80157349 -0.18347393 0.38652186 -0.37184465 Cu 7.08048279 7.07457272 0.02599750 0.15028059 0.13310869 -0.34741231 Cu 8.86401439 8.85373893 0.03263311 -0.53735431 -0.47804249 0.45962932 Cu 8.86631098 7.11705774 1.76305058 0.26962295 -0.05483989 0.06936766 Cu 7.10727259 8.87824548 1.79618652 0.07474338 0.33674925 -0.15886502 Cu 0.03324727 0.01582071 3.52396605 0.09182607 0.10587331 -0.13472908 Cu 1.78400908 1.79554106 3.53103499 -0.00868131 -0.22379023 -0.00724448 Cu 1.71578075 -0.03414102 5.32249643 0.07955337 -0.21626408 0.08891386 Cu -0.01099617 1.73895430 5.28400512 -0.22833973 0.09674474 0.23837652 Cu 3.56019374 0.01072278 3.56347127 -0.15489890 -0.34283421 -0.08644767 Cu 5.29892957 1.76974630 3.52313921 0.07369004 0.13845849 0.10214166 Cu 5.34563529 0.03427818 5.33708681 -0.05306821 -0.46303786 -0.10166327 Cu 3.51292178 1.75919971 5.33918410 0.08101056 0.10431756 -0.23090043 Cu 7.10847007 0.03098958 3.55825890 0.11732326 -0.28042825 -0.02508104 Cu 8.89655541 1.79136767 3.53590477 0.15092539 -0.10639906 0.04621934 Cu 8.87734738 0.01021005 5.36918365 -0.24848966 0.21683193 -0.12255753 Cu 7.08202777 1.81385203 5.31767013 0.18058931 -0.13681371 -0.07603604 Cu 0.03087264 3.51320215 3.51318154 -0.45759877 0.07126830 0.02368997 Cu 1.80435004 5.29400478 3.54412971 -0.22998032 0.18580813 -0.18262660 Cu 1.80521888 3.57979353 5.29257989 -0.17074698 -0.33586944 0.22188970 Cu -0.00932440 5.28369623 5.31810845 -0.32264101 0.12662338 0.06653847 Cu 3.53021168 3.54180491 3.55662303 0.21378137 -0.00811703 -0.13105991 Cu 5.34199854 5.28208936 3.53572924 -0.42137306 0.40709365 0.13040841 Cu 5.31922570 3.53644466 5.33693980 -0.17675778 -0.09460399 -0.19946004 Cu 3.53681021 5.35080557 5.32165381 0.35893043 -0.08415085 0.02839911 Cu 7.07164720 3.55774527 3.53086272 0.16746852 -0.35925539 0.10465069 Cu 8.85517477 5.32645746 3.57590753 0.39523686 0.11292948 -0.12926323 Cu 8.85544642 3.55465405 5.34786184 0.41654958 -0.06460596 -0.06789189 Cu 7.06236438 5.28248720 5.28757841 0.23161422 0.39768615 0.23794284 Cu 0.00296734 7.06581062 3.56601170 -0.27591750 0.04669497 -0.11784007 Cu 1.74201242 8.86644619 3.54998252 0.07106093 0.28358263 -0.08274124 Cu 1.80359956 7.06373661 5.31311838 -0.34448874 0.18952721 0.15767803 Cu 0.01626997 8.88859911 5.29215797 0.17839344 -0.31531311 0.12494981 Cu 3.50916805 7.09274201 3.50968319 0.26999806 -0.16977320 0.16217980 Cu 5.31701167 8.84485440 3.53510938 0.08936500 0.46247137 0.14212403 Cu 5.32477417 7.11574161 5.33932618 -0.05493414 -0.28045537 -0.24964903 Cu 3.55098734 8.84355713 5.33036881 -0.07194536 0.41374100 -0.06730454 Cu 7.07423435 7.08960562 3.52816179 0.29111216 0.10991768 0.25221737 Cu 8.89537255 8.89609523 3.56704135 -0.34406129 -0.32920007 -0.06254210 Cu 8.87866793 7.11355227 5.32037108 0.15962746 -0.10455686 0.05139224 Cu 7.09675791 8.86523543 5.35528988 0.05710545 0.36567613 -0.16879293 Cu -0.02956391 -0.00570759 7.14200742 0.49935456 0.49131527 -0.02421942 Cu 1.78263573 1.80727435 7.05590788 -0.30851767 -0.32959243 0.31577766 Cu 1.81129051 -0.02410445 8.87796219 -0.14065107 0.49425156 -0.45999808 Cu -0.01646350 1.78556657 8.88135706 0.52851928 -0.07922850 -0.40098014 Cu 3.52245537 0.03136054 7.06789936 -0.09606765 -0.52319181 0.06957769 Cu 5.31702582 1.76872742 7.06996660 0.14648596 0.13243346 0.18950714 Cu 5.29184922 0.02371731 8.83317670 0.16877499 0.02655664 -0.11775795 Cu 3.57630178 1.73768950 8.85529161 -0.22846185 0.14764208 0.39160670 Cu 7.08009668 0.02547101 7.08039755 0.16645480 -0.37172425 0.15243128 Cu 8.87666814 1.75492823 7.07498050 0.25799830 0.00359154 0.19854455 Cu 8.84655473 -0.03283840 8.84462549 -0.54195842 0.59483281 -0.56509793 Cu 7.09064057 1.78272310 8.84661325 0.05346328 -0.13426753 0.29501507 Cu 0.01924838 3.50937332 7.10299509 -0.35513464 0.02634641 -0.00425455 Cu 1.78628705 5.28942368 7.04518473 -0.10987354 0.18825582 0.26962485 Cu 1.80549071 3.55021561 8.85295985 -0.17182668 -0.17901254 0.33854204 Cu 0.02517396 5.33965193 8.86698460 0.17318601 -0.08807790 -0.26167356 Cu 3.58979107 3.51090373 7.10568885 -0.20332471 0.21829653 -0.09448443 Cu 5.35140135 5.29425156 7.06223299 -0.25398832 0.26002867 0.15298097 Cu 5.33131636 3.57875865 8.88516411 -0.05231586 -0.22605828 0.30937662 Cu 3.51155245 5.32274963 8.86639688 0.11800104 0.06199959 0.24226005 Cu 7.09502041 3.55705368 7.08696141 0.06769726 -0.18784482 0.16788910 Cu 8.85722250 5.31232310 7.13416072 0.22000240 0.19394810 -0.01935865 Cu 8.87427196 3.48361726 8.87440845 -0.24575938 0.07160620 -0.25221831 Cu 7.06569136 5.30508930 8.87212648 0.27497209 0.22314412 0.30712713 Cu -0.03195439 7.10958839 7.10671505 -0.11574955 0.01798313 -0.15100173 Cu 1.76505823 8.87550291 7.06208821 -0.13909888 0.19457212 0.14944243 Cu 1.74629217 7.07158619 8.83115016 -0.00504918 0.14361843 0.28118444 Cu 0.02751422 8.84362519 8.89637636 0.52444910 -0.49729582 -0.55246800 Cu 3.55750345 7.10933775 7.11447055 -0.19488883 -0.25739470 -0.13832190 Cu 5.31563564 8.83259895 7.12622304 0.04893475 0.60352966 -0.02902531 Cu 5.28984363 7.09709760 8.85690842 0.22907111 -0.13535887 0.42575634 Cu 3.51913990 8.82738185 8.86035091 -0.12616939 -0.03922827 -0.08126902 Cu 7.06671914 7.09678124 7.06866990 0.34243014 -0.14082432 0.30361315 Cu 8.86396969 8.83822869 7.09346364 -0.30198458 -0.26577244 0.08914077 Cu 8.86337880 7.11870954 8.88636828 -0.48640145 -0.06883077 -0.41707833 Cu 7.06301358 8.87779057 8.87016003 0.09844341 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