108 Lattice="10.61092402143984 0.0 0.0 0.0 10.61092402143984 0.0 0.0 0.0 10.61092402143984" Properties=species:S:1:pos:R:3:forces:R:3 energy=-325.18726697994316 stress="-0.09361406925702509 0.5089399287331351 -0.591424223543564 0.5089399287331351 -0.3588558768070449 -0.9303063925451021 -0.591424223543564 -0.9303063925451021 -0.4345657776644978" pbc="F F F" Cu 0.02165251 0.02486203 -0.00946988 0.39613485 0.36207274 0.44967813 Cu 1.74624046 1.75030541 0.00285476 -0.07819032 0.19085768 -0.29503014 Cu 1.78305141 0.03515755 1.75872395 -0.20724630 -0.41653774 0.09022859 Cu -0.03439854 1.74100917 1.76944185 -0.06477692 0.25066175 -0.07319577 Cu 3.51181257 0.00760852 -0.00284581 0.16690458 0.18245472 0.15294752 Cu 5.32833294 1.79215012 0.02043401 0.07443575 -0.35553150 -0.45701144 Cu 5.32124358 0.00979439 1.80323534 -0.03171471 -0.36280315 -0.40277905 Cu 3.55276117 1.73431986 1.74446643 -0.11029657 0.19536362 0.20337762 Cu 7.05940852 -0.02268595 -0.03177299 0.03361535 0.49811539 0.46638670 Cu 8.84720333 1.80209901 -0.01322323 -0.32437868 -0.22736333 0.21558362 Cu 8.83180164 0.02777826 1.72383611 -0.34609325 0.34412909 0.06254591 Cu 7.08524706 1.78338132 1.76343059 0.20669942 -0.29711966 -0.25585036 Cu -0.03434146 3.56679949 0.00231543 0.29630747 -0.18342514 0.26976911 Cu 1.74459238 5.31397946 0.02059329 0.03625420 -0.06916794 -0.40953691 Cu 1.78017218 3.53324472 1.73976993 -0.17660151 -0.15424788 0.19398719 Cu -0.01141912 5.28441615 1.78409655 -0.28637520 0.16868181 -0.11687503 Cu 3.55531107 3.51987370 -0.02613462 -0.12280220 0.14026305 -0.20662220 Cu 5.33849402 5.33588978 -0.02614309 -0.11799598 -0.20358065 -0.27014185 Cu 5.32015668 3.51376218 1.74466595 -0.22818926 0.29732935 0.04766208 Cu 3.54345863 5.33075932 1.75977631 -0.01709209 -0.31162197 -0.11760927 Cu 7.12538254 3.55364112 -0.00261998 -0.17783555 -0.06222105 -0.42178282 Cu 8.83073633 5.32508440 -0.03157803 -0.17499948 0.04978474 0.25654109 Cu 8.85547094 3.51551313 1.74086645 0.35523854 0.22121755 0.12064230 Cu 7.07590163 5.27076094 1.76289021 0.24163546 0.19798698 -0.13242436 Cu 0.01848662 7.09363512 -0.01004386 0.17846577 -0.15568323 0.31184617 Cu 1.71978088 8.84116386 0.00234592 0.21255126 -0.28926188 0.22986012 Cu 1.76405592 7.04104728 1.77081623 -0.15757446 0.30585631 -0.15023623 Cu 0.02207990 8.82822264 1.74404126 0.22488484 -0.21026939 0.12102778 Cu 3.53274928 7.08181036 -0.03080891 -0.10856866 0.06085070 -0.17076412 Cu 5.28068812 8.82952612 -0.00980153 0.12718143 -0.19364884 0.32711047 Cu 5.32125590 7.04749794 1.75352987 -0.06802496 0.45253457 -0.08526786 Cu 3.50180005 8.84451599 1.74659150 0.17135156 0.11884772 -0.09465799 Cu 7.06647151 7.09617025 -0.02589283 0.23518938 0.18373997 -0.08701918 Cu 8.86702278 8.85790390 -0.01683388 -0.61433498 -0.60239255 0.61242853 Cu 8.81990835 7.06290358 1.75325922 0.30939055 0.21740870 -0.20457806 Cu 7.08970830 8.85449839 1.80182839 0.16160096 0.17974714 -0.44563426 Cu -0.02263817 0.03374221 3.52367747 0.21648002 0.07523316 -0.01885163 Cu 1.77636200 1.74827853 3.56033166 -0.13464182 0.14172485 -0.44700465 Cu 1.74904151 0.00812740 5.29169671 -0.04819416 -0.38853758 0.11975064 Cu 0.00318045 1.78264664 5.28294826 -0.51599112 -0.25369491 0.14622390 Cu 3.55046738 -0.02936428 3.57128115 -0.00751359 -0.18907540 -0.12520443 Cu 5.33073609 1.77433414 3.52247726 -0.22740346 -0.10710595 0.21323632 Cu 5.31859005 -0.02669277 5.33360028 0.03825937 -0.09811885 -0.17505332 Cu 3.53628460 1.78781550 5.28619184 0.06429470 -0.24174328 0.13792499 Cu 7.06593889 0.01832869 3.52190420 0.31312605 -0.31234724 0.12228362 Cu 8.83954127 1.80385661 3.54463792 0.32151773 -0.36381340 -0.14149074 Cu 8.84460941 -0.00030876 5.31887477 -0.21803323 0.22366269 -0.07670848 Cu 7.10152385 1.77134931 5.31101521 -0.19038469 -0.17823532 -0.07755077 Cu -0.02760690 3.56049006 3.56069607 -0.23263674 -0.19715612 -0.26828303 Cu 1.74285810 5.30776929 3.56455813 0.04758305 -0.15046379 -0.38069072 Cu 1.71934276 3.51640838 5.29717941 0.27499023 0.21227710 0.16671966 Cu 0.02198600 5.33643597 5.32984500 -0.58529766 -0.13564557 -0.05873574 Cu 3.53138205 3.53995571 3.55224893 -0.00882645 0.01317170 -0.36950202 Cu 5.31246954 5.32646447 3.51159725 -0.06142076 -0.14893148 0.29233769 Cu 5.28931303 3.53611787 5.30549571 0.30616323 0.11258017 -0.13234764 Cu 3.50188799 5.28378037 5.31580787 0.00714788 0.16156203 -0.07235245 Cu 7.06033416 3.53231132 3.52601178 0.22487664 0.20944874 0.15146751 Cu 8.87681072 5.33108149 3.54592109 0.22647880 -0.23294218 -0.13128764 Cu 8.85377858 3.51830304 5.29593901 0.30402443 0.24588311 0.09130384 Cu 7.10570287 5.33929449 5.30592990 -0.17234027 -0.20501900 0.04560134 Cu -0.01323876 7.10875170 3.52637185 -0.25921311 -0.06195633 -0.06642205 Cu 1.80280918 8.84015559 3.52023904 -0.24072093 0.30834926 0.07594255 Cu 1.75671423 7.05435996 5.27672723 0.19493163 0.49534392 0.42263015 Cu 0.00847119 8.84034125 5.27712548 0.28036770 -0.18350813 0.11768629 Cu 3.51009920 7.06477961 3.53474193 0.31154189 0.19156919 0.01663199 Cu 5.33579961 8.85483257 3.50173060 -0.23431960 0.11413838 0.06369756 Cu 5.28440161 7.08662460 5.31570858 0.15623525 -0.07586658 -0.22632649 Cu 3.57660525 8.87565177 5.31537070 -0.23572605 0.08996906 0.02646926 Cu 7.10353102 7.06129495 3.50472636 -0.08614281 0.16915331 0.20024511 Cu 8.87046207 8.84576495 3.55640829 -0.25748180 -0.26802041 -0.09272965 Cu 8.85647586 7.08655130 5.30679828 0.28768342 0.15812160 0.12170172 Cu 7.07283752 8.80791341 5.29986772 0.12560397 0.29767700 0.01601873 Cu 0.02173805 0.01958820 7.10637635 0.17814321 0.22936416 -0.13928562 Cu 1.75392105 1.76324596 7.04211043 0.04625394 -0.10692336 0.47539509 Cu 1.74419404 -0.01997466 8.84703072 0.16501663 0.45366287 -0.38377247 Cu -0.03332227 1.73388611 8.85669204 0.48790877 0.12946235 -0.34513230 Cu 3.55445665 0.01208542 7.04865678 -0.21183859 -0.17815250 0.27629293 Cu 5.29728797 1.79688170 7.07262924 -0.04838710 -0.37463389 0.10249944 Cu 5.29339090 -0.01982497 8.84024767 0.03440370 0.42547270 -0.33280648 Cu 3.50344040 1.80333063 8.85625023 0.06916141 -0.30337577 0.09845550 Cu 7.06854933 0.00748709 7.05467739 0.14496741 -0.19313406 0.32831347 Cu 8.85758088 1.76754608 7.06402509 0.27313314 -0.15290632 0.24399795 Cu 8.83067099 0.00921501 8.85219240 -0.55316006 0.55060035 -0.57064580 Cu 7.06857958 1.79279614 8.81575399 0.21634104 -0.37869693 0.31893076 Cu 0.00270337 3.51879255 7.08697161 -0.41154205 -0.03454002 0.11908995 Cu 1.71791238 5.30708267 7.11833707 0.31731151 -0.00660105 -0.32722457 Cu 1.75907700 3.55152995 8.84266667 -0.17227120 -0.35239458 0.30067920 Cu 0.03440435 5.29591887 8.86735825 -0.07116127 0.06809986 -0.11882405 Cu 3.53907808 3.55118922 7.06468138 -0.27604434 -0.20334543 0.11286421 Cu 5.27060902 5.30451539 7.04336913 0.44112871 -0.07453634 0.20904435 Cu 5.34035471 3.52893862 8.84172857 -0.20257591 0.12427822 0.30274262 Cu 3.51211242 5.27371722 8.82821834 0.12055676 0.19376003 0.47443849 Cu 7.07976041 3.50366687 7.05696078 0.19733826 0.49253797 0.09865225 Cu 8.87131370 5.33005511 7.07176040 0.14141293 -0.19618513 0.09335489 Cu 8.85971589 3.54030395 8.84326059 -0.35812344 0.05792711 -0.32384280 Cu 7.03960002 5.33852811 8.81495879 0.37188242 -0.33431194 0.27525244 Cu 0.00549456 7.07459674 7.05873167 -0.39649992 0.23819063 0.10986706 Cu 1.77079097 8.84685240 7.09477182 -0.06077169 0.14054572 -0.29463502 Cu 1.71546946 7.09525821 8.81623960 0.28809268 -0.05901504 0.43366056 Cu 0.02223377 8.81271156 8.84064330 0.30384320 -0.31395006 -0.41739551 Cu 3.56734980 7.03923783 7.10510119 -0.42032304 0.39626265 -0.12262712 Cu 5.32651400 8.84202995 7.07632732 -0.08652522 0.26758651 0.16206998 Cu 5.33200507 7.06731051 8.86291897 -0.29231749 0.15863992 0.26494980 Cu 3.50554664 8.83950226 8.81661594 0.13494317 -0.23881648 -0.13740066 Cu 7.07616010 7.07333926 7.11069044 0.15696268 0.15037560 -0.22442183 Cu 8.82867464 8.85741599 7.09182609 -0.32254929 -0.39365077 -0.02018082 Cu 8.85941051 7.04775600 8.84215179 -0.35066911 0.13967250 -0.28743436 Cu 7.05806586 8.84111015 8.82737970 0.14619013 -0.27198092 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