864 Lattice="21.486789066074426 0.0 0.0 0.0 21.486789066074426 0.0 0.0 0.0 21.486789066074426" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2821.2427295621696 stress="-0.004117312283539318 2.5200332347510135e-05 -0.0001579776663924135 2.5200332347510135e-05 -0.004091950084954315 -0.00012395921050785768 -0.0001579776663924135 -0.00012395921050785768 -0.004025336374264339" pbc="F F F" Cu 0.01761997 0.01304719 0.02647846 0.57687519 0.56870441 0.58087296 Cu 1.76462865 1.82342262 0.02105055 0.18100542 -0.34425853 -0.12692102 Cu 1.83511498 0.03518690 1.80374700 -0.25649460 -0.06657946 -0.15056732 Cu 0.00439033 1.81042360 1.78043688 -0.10490162 -0.25119264 0.04184123 Cu 3.61315162 0.02478187 0.01187359 -0.14061444 0.39727466 0.34607561 Cu 5.35350264 1.81682160 0.01469319 0.06257886 -0.12855745 -0.07406640 Cu 5.38492858 0.01714666 1.78082632 -0.07843967 -0.02748308 0.05903005 Cu 3.58133336 1.81517362 1.82530794 -0.08402432 -0.16393432 -0.34265837 Cu 7.17170521 0.00866205 0.03310718 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-0.19488476 -0.21366412 Cu 12.50223497 5.34755491 0.01122356 0.37389709 0.08998265 -0.16020182 Cu 12.51702932 3.55795655 1.81630391 0.29816887 0.12391855 -0.20777873 Cu 10.77083259 5.34467117 1.77552628 -0.31790317 0.12325511 0.27722063 Cu 14.33663519 3.55731748 0.00698942 -0.09636280 0.18018096 -0.09243194 Cu 16.13028575 5.36721409 0.01589597 -0.06876830 0.15227812 -0.19579534 Cu 16.14458003 3.59159928 1.77548844 -0.16813838 -0.16422174 0.16508053 Cu 14.34006428 5.34217342 1.79849687 -0.19859250 0.08790003 -0.10146990 Cu 17.88199344 3.61389962 0.01762336 0.30750853 -0.31575685 -0.14398043 Cu 19.68299193 5.36400751 0.02704479 -0.35540404 0.10718783 0.32396842 Cu 19.70852432 3.61540859 1.79885976 0.02665294 -0.18037478 -0.23326083 Cu 17.87956314 5.35511003 1.80531395 0.35042319 0.33472952 -0.08841338 Cu 0.03306444 7.19700575 0.03167998 0.25454622 -0.12390529 0.28965342 Cu 1.78821695 8.94331859 0.03307126 0.11579595 0.04972946 -0.19651107 Cu 1.83502346 7.14647644 1.76981862 -0.16608888 0.08598866 0.07245814 Cu 0.02603409 8.97833250 1.79507420 -0.16420663 -0.15586009 0.08753494 Cu 3.59365447 7.15138547 0.00937803 -0.03513524 0.10220588 -0.20276759 Cu 5.38319105 8.94712354 0.00647945 -0.14574400 0.00479637 -0.23705284 Cu 5.40179810 7.19501245 1.75800677 -0.16474394 -0.24240641 0.38602832 Cu 3.60731773 8.98485147 1.82331022 -0.05992382 -0.27540348 -0.26040264 Cu 7.17205476 7.14016579 0.02399105 0.13842272 0.11191495 -0.15432088 Cu 8.96514896 8.97708739 0.03267545 -0.10460802 -0.10611849 -0.26224440 Cu 8.97838247 7.19180597 1.76724797 -0.31553309 -0.42851881 0.18528522 Cu 7.13797360 8.96839887 1.81922510 0.28310953 -0.15896014 -0.10734840 Cu 10.73655489 7.14644360 0.02183091 0.04322179 0.07085666 -0.25742888 Cu 12.54002994 8.95852663 0.01735456 -0.10050206 -0.09788118 -0.10173010 Cu 12.51094526 7.13370349 1.79902977 0.24871272 0.09156854 -0.09506375 Cu 10.71705215 8.92834794 1.81929101 0.41746207 0.11617100 -0.30710084 Cu 14.34933711 7.14817724 0.00606459 -0.16047192 0.03754170 0.05459859 Cu 16.11660007 8.96375222 0.01722068 -0.11592576 -0.10100585 -0.17561105 Cu 16.12568552 7.17957556 1.80497154 -0.16378056 -0.12671404 -0.27880343 Cu 14.29086206 8.96538940 1.82558990 0.15228387 -0.04221669 -0.15779545 Cu 17.91472781 7.19304898 0.05484031 0.13764904 -0.12026189 -0.15974294 Cu 19.71940833 8.97479827 0.03484817 -0.33578807 -0.13001975 0.30654459 Cu 19.71930453 7.17155746 1.81533707 -0.03388283 -0.11293819 -0.14518931 Cu 17.87530036 8.97071099 1.79658612 0.54708126 -0.14905653 -0.13496691 Cu 0.00599155 10.72748541 0.02726460 0.34657594 0.08476964 0.20830129 Cu 1.82573499 12.54662058 0.00312041 -0.30135081 -0.10264177 -0.16271120 Cu 1.79248575 10.73045303 1.78012463 -0.01559813 0.18682172 0.04908169 Cu 0.01934569 12.50628791 1.79217569 -0.12360408 0.08110397 -0.10579776 Cu 3.56151893 10.75579329 0.03044036 0.16256162 -0.13394615 -0.22706423 Cu 5.36677918 12.53848714 0.00455250 0.14441880 -0.06729236 -0.17171413 Cu 5.40707794 10.73083888 1.77835752 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0.02804425 0.01262716 0.18855294 -0.32190511 Cu 19.69828540 12.53139005 0.02551835 -0.29892205 -0.04371924 0.21581431 Cu 19.67701631 10.75924796 1.74935945 0.20102612 -0.05086119 0.25851719 Cu 17.87037296 12.54317043 1.78632114 0.35604059 -0.20602324 0.10663898 Cu 0.03287829 14.29058195 0.01586829 0.27493208 0.08708155 0.30255308 Cu 1.81855239 16.11772293 0.04096450 -0.23052645 -0.04420174 -0.09612650 Cu 1.76775912 14.30379532 1.79912972 0.11479210 0.20117159 -0.21275237 Cu 0.02035674 16.11363695 1.79547518 -0.08809402 0.13698149 -0.15558480 Cu 3.61679786 14.29548952 0.03323151 -0.18782097 0.28897805 -0.32808897 Cu 5.36098568 16.14947670 0.01020622 0.02384810 -0.04062546 -0.15252004 Cu 5.36455402 14.33774024 1.79555552 0.20766256 -0.12508910 -0.03469860 Cu 3.60806324 16.09471273 1.79338566 -0.33450478 0.21531615 0.02085577 Cu 7.18008172 14.36018731 0.01185188 -0.17364186 -0.13724270 -0.12000725 Cu 8.98104958 16.09433500 0.00497099 -0.14392085 0.16852031 -0.17538502 Cu 8.95196004 14.33059141 1.76627701 -0.12884861 -0.23719741 0.15998544 Cu 7.14993562 16.12666590 1.80065534 0.18192772 0.10439172 -0.17497596 Cu 10.74447881 14.34290798 0.00048641 0.06348303 -0.18102649 -0.21969493 Cu 12.55836610 16.14402923 0.01794719 -0.16650364 -0.04426651 -0.22614261 Cu 12.49035125 14.32011250 1.76443182 0.13570172 -0.10962720 0.09150254 Cu 10.72454233 16.08866615 1.81693337 0.19122701 0.31106777 -0.27426034 Cu 14.29613566 14.34377974 0.02784505 0.15481005 -0.05252757 -0.21743862 Cu 16.11212413 16.13995900 0.00789989 0.07922175 -0.16437373 -0.05297566 Cu 16.14997450 14.30700370 1.76030090 -0.23249119 0.27966238 0.21990704 Cu 14.30017736 16.12624848 1.78869345 0.35333434 -0.10153434 0.09481123 Cu 17.93784136 14.29112575 0.02239855 -0.15864165 0.22792086 -0.26424072 Cu 19.67206744 16.12697772 0.00783404 -0.34791157 0.07109364 0.35162316 Cu 19.67427213 14.33259122 1.75604687 0.17994243 -0.09677361 0.14305911 Cu 17.89564755 16.14505849 1.81827150 0.02378014 -0.19243687 -0.33562656 Cu 0.00614053 17.94643114 0.02118353 0.49648354 -0.13828852 0.47070234 Cu 1.76691818 19.69866179 0.01364420 0.07267806 -0.38449906 0.47136588 Cu 1.80132693 17.93669902 1.82084567 -0.16891398 -0.10147689 -0.15129809 Cu 0.01034193 19.69006020 1.80832437 0.39149333 -0.38635914 0.03419438 Cu 3.53232692 17.90569755 0.02549833 0.18417745 0.20370917 -0.09667782 Cu 5.39209255 19.68208470 0.01493741 -0.00905817 -0.40693554 0.36650180 Cu 5.36147111 17.91376063 1.80458702 0.10845081 0.27720307 -0.12468917 Cu 3.60866252 19.69652649 1.80064066 -0.16908373 0.08121190 -0.05268527 Cu 7.17843919 17.89171675 0.00639998 0.02342733 0.19310940 0.02138574 Cu 8.97214238 19.70579944 0.03098080 -0.00891353 -0.36276036 0.33820383 Cu 8.98112890 17.89917513 1.76649870 -0.23049627 0.13227525 0.16629616 Cu 7.18341084 19.72337828 1.81723079 -0.09465134 -0.14012614 -0.14186523 Cu 10.74146647 17.88041340 0.03181320 0.05446219 0.18281188 -0.23218768 Cu 12.50934404 19.71890764 0.01139920 0.03678141 -0.41474972 0.26983924 Cu 12.53988914 17.90704840 1.76611825 -0.05227885 0.06512783 0.10596692 Cu 10.77735465 19.67651615 1.80722900 -0.14313748 0.21893179 -0.21553219 Cu 14.35599059 17.92898969 0.02778891 -0.15905628 0.09259328 -0.21047651 Cu 16.08327516 19.72640951 0.02770600 0.13901105 -0.23934266 0.21604873 Cu 16.14325573 17.96075259 1.75838204 -0.31311152 -0.27726808 0.31556969 Cu 14.29027849 19.72296591 1.77371951 0.06116038 0.00724663 0.11124170 Cu 17.89325492 17.90995392 0.02388711 0.22540285 0.15342926 -0.19155723 Cu 19.68675347 19.69077158 0.00279824 -0.58693764 -0.63196601 0.62000132 Cu 19.69256704 17.89638196 1.82472128 0.01864879 0.21800140 -0.18220592 Cu 17.90159208 19.67855241 1.78403222 0.26007766 0.15488440 0.05614274 Cu 0.01656695 0.02434135 3.58030067 0.26825661 0.32780044 -0.17063074 Cu 1.78736912 1.81806316 3.58468530 0.04559822 -0.07890720 -0.22827510 Cu 1.74056915 0.02333452 5.35149684 0.13365886 -0.24302121 0.09660198 Cu 0.03387676 1.82110017 5.34033650 -0.25634050 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0.07246091 0.26219148 Cu 7.18451195 3.60806839 3.59234035 -0.32566832 -0.33189565 -0.14384602 Cu 8.93601592 5.35111229 3.59834212 0.37014524 0.25466031 -0.16032053 Cu 8.92058582 3.56719555 5.34637961 0.50113435 -0.00677108 0.07724276 Cu 7.18808422 5.36160617 5.38903060 -0.25548459 0.15509508 0.03958764 Cu 10.77756177 3.56871100 3.57890789 -0.33828484 0.03297201 0.08439721 Cu 12.52655238 5.34445941 3.59923682 0.13956832 0.32573097 -0.10887771 Cu 12.55733907 3.61570065 5.35553609 -0.28345870 -0.43715985 0.30058575 Cu 10.72514651 5.40673864 5.39237783 0.15160468 -0.39735349 -0.20019308 Cu 14.32755702 3.54030888 3.58042750 0.08759468 0.32426051 -0.06552590 Cu 16.10133242 5.40349101 3.56921042 0.15766056 -0.28143656 0.17771548 Cu 16.09894890 3.55613029 5.36988071 0.11722579 0.34430848 -0.24181668 Cu 14.32293305 5.36277742 5.35770484 0.24308391 0.24620420 0.06971328 Cu 17.93126981 3.59367047 3.55300081 -0.32125547 -0.13373783 0.18912436 Cu 19.67107119 5.35085664 3.61305410 0.15289581 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19.70428110 -0.23882357 0.08021135 0.12832296 Cu 3.54710789 12.51635156 19.70600226 0.27708472 0.13969465 0.18098820 Cu 7.12733994 10.72705065 17.89438928 0.32487927 0.17480449 0.22551470 Cu 8.97734110 12.52987067 17.93375004 -0.37300929 -0.02908383 -0.12129179 Cu 8.97351112 10.75321509 19.72934878 -0.22348913 -0.15272887 -0.12203714 Cu 7.13778381 12.50224136 19.70509230 0.17905844 0.13188633 0.01560193 Cu 10.77321031 10.77338944 17.88142988 -0.24743990 -0.22704103 0.33360397 Cu 12.52743983 12.52466867 17.88971321 0.08074388 0.21587145 0.15983043 Cu 12.55844750 10.77702009 19.70601231 -0.09799111 -0.20853133 0.08506485 Cu 10.72443356 12.51069065 19.66433555 0.17645541 0.09467884 0.37165059 Cu 14.31392014 10.76586773 17.89314686 0.15081053 -0.28719890 0.17044281 Cu 16.10607484 12.54469715 17.91756837 0.05378902 -0.20713581 -0.20840763 Cu 16.11715177 10.76126237 19.71812208 -0.14023777 -0.11586728 0.00571877 Cu 14.30743975 12.55739539 19.68121981 0.06610639 -0.07387444 0.13814026 Cu 17.87579311 10.71212503 17.92187881 0.28345051 0.37029688 0.09882659 Cu 19.69464890 12.53483860 17.89774939 -0.04541149 -0.05539015 0.08757299 Cu 19.70022222 10.74749067 19.71816455 -0.53401642 -0.03899622 -0.51732610 Cu 17.89872596 12.55381468 19.66164951 0.17608586 -0.15408903 0.14744261 Cu 0.02866988 14.34285321 17.90669671 -0.30095488 -0.18039836 0.17133365 Cu 1.77409523 16.09838608 17.89822165 0.25707279 0.23782067 0.34760389 Cu 1.79657332 14.30326657 19.69372517 -0.08545367 0.08352452 0.08758364 Cu 0.00730474 16.08066421 19.71920871 0.41156944 0.13220151 -0.41589343 Cu 3.61326923 14.29865717 17.91161655 -0.20264938 0.18763398 0.00657076 Cu 5.34214243 16.13139362 17.88994397 0.30921927 -0.15849862 0.06413599 Cu 5.39323214 14.33058138 19.70074341 -0.11030431 -0.12514611 0.09987736 Cu 3.60283886 16.08899820 19.69565351 -0.20655249 0.02783898 0.06938585 Cu 7.18785582 14.32284055 17.93320887 -0.21202204 -0.04304156 -0.11712567 Cu 8.95327180 16.08667870 17.88770266 -0.12153871 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12.55969650 19.66088080 17.93793060 -0.23917687 0.19873753 -0.12111711 Cu 12.50495028 17.87167677 19.68440598 0.18181294 0.17816827 0.26137602 Cu 10.72393659 19.72349907 19.72245734 0.05654072 -0.51203648 -0.44824685 Cu 14.31644108 17.93504397 17.91078403 0.24302944 -0.21374243 0.20682100 Cu 16.14432081 19.69688689 17.89086636 -0.19005755 0.11790990 0.05169696 Cu 16.12993182 17.93513255 19.71274057 -0.17322222 -0.03762596 -0.06089461 Cu 14.28756553 19.68253657 19.71974429 0.14397666 -0.37016414 -0.35424637 Cu 17.87658091 17.93725053 17.88503802 0.26409564 -0.14292782 0.11816994 Cu 19.67995442 19.70392119 17.86640195 -0.42338425 -0.44376250 0.08482452 Cu 19.67919823 17.94116477 19.66429782 -0.47577524 0.00576030 -0.43476676 Cu 17.87734505 19.69368680 19.68387364 0.15641810 -0.34976319 -0.40333094