500 Lattice="18.584711713986575 0.0 0.0 0.0 18.584711713986575 0.0 0.0 0.0 18.584711713986575" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1230.7425243670116 stress="-0.003862671528857266 0.00016493773984290312 -0.00010868653953522113 0.00016493773984290312 -0.004050957171350189 9.713652888381498e-06 -0.00010868653953522113 9.713652888381498e-06 -0.003967321978927031" free_energy=-1230.7425243670116 pbc="F F F" Cu 0.00498388 0.00017931 0.03656258 -0.32919698 -0.27574106 -0.32523649 Cu 1.83190945 1.88875503 0.03599485 0.59353376 0.23089297 -1.07063925 Cu 1.87042512 0.00083794 1.84542751 0.47529789 -0.69313628 0.67448437 Cu 0.03450687 1.85738422 1.88862290 -0.85798977 0.54699309 0.34338464 Cu 3.71443566 0.02264162 0.03455965 0.02185752 -0.48028987 -0.54097360 Cu 5.54181777 1.86647818 0.00372466 0.32075622 0.43429036 -0.41507671 Cu 5.59566768 0.00669929 1.87324863 -0.28598277 -0.41432736 0.51399011 Cu 3.68308234 1.89150288 1.85421356 0.46112218 0.27800542 0.94158786 Cu 7.41117012 0.02991338 0.01626561 0.09506954 -0.36569780 -0.48651549 Cu 9.31084525 1.87071627 0.01195981 -0.27645233 0.48505750 -0.71547506 Cu 9.25233316 0.02964819 1.88438983 0.07203677 -0.81817488 0.28377009 Cu 7.46489856 1.89352960 1.87776855 -0.30904860 0.40143971 0.32653607 Cu 11.14419626 0.03147805 0.01381016 -0.09974971 -0.64509360 -0.56139901 Cu 13.02282235 1.85672242 0.00967997 -0.01930884 0.53327874 -0.75937681 Cu 12.98202103 0.03350041 1.84407300 0.21067643 -0.74862509 0.54299481 Cu 11.15214669 1.83787458 1.83653079 -0.10231445 0.88394672 0.78877051 Cu 14.88979568 0.00415767 0.02495240 -0.42394040 -0.57599300 -0.63421335 Cu 16.76216246 1.86612610 0.02089089 0.52597316 0.43928385 -0.66037250 Cu 16.75783783 0.03503475 1.82577368 0.62953471 -0.68841327 0.55227460 Cu 14.88572081 1.83214885 1.84473354 -0.61285906 0.81998458 0.83328501 Cu 0.02029952 3.75335931 0.00850568 -0.72653013 -0.23537219 -0.54688658 Cu 1.86252217 5.53145385 0.03144190 0.64669026 0.31366601 -0.63628729 Cu 1.87740762 3.68640700 1.82549355 0.43445076 0.34890788 1.17170812 Cu 0.00745482 5.53677527 1.86484683 -0.46170528 0.20553636 0.69871847 Cu 3.76595212 3.71728575 0.01160113 -0.06453928 0.19889802 -0.58387952 Cu 5.60755116 5.59395649 0.01553107 -0.49987989 -0.19165998 -0.69151915 Cu 5.61184885 3.71643019 1.87985724 -0.42874158 0.10475008 0.51582771 Cu 3.71905872 5.54451682 1.87515680 0.22233834 0.23868064 0.47248015 Cu 7.40755641 3.74785120 0.02521605 0.28868833 -0.25685176 -0.61838634 Cu 9.28899346 5.60981017 0.02126697 -0.00648498 -0.44227681 -0.55542515 Cu 9.32417827 3.70073801 1.85044823 -0.19013225 0.37163645 0.71084488 Cu 7.40094894 5.59234336 1.82268895 0.53097701 -0.32457581 1.40910376 Cu 11.16208270 3.71891204 0.01277500 0.11328987 0.22774387 -0.48010866 Cu 13.03213981 5.61096965 0.01318793 -0.02494101 -0.37566853 -0.60431116 Cu 13.03806110 3.68614930 1.85942398 -0.33311055 0.47438074 0.49778509 Cu 11.16249226 5.61073713 1.84241056 -0.00930283 -0.50066466 0.81772128 Cu 14.89567024 3.70044843 0.03060668 -0.62783332 0.00572999 -0.81911485 Cu 16.71647154 5.57131643 0.02640718 0.64013362 -0.03162727 -0.70776214 Cu 16.73423752 3.72811617 1.86638641 0.67023092 -0.17835206 0.72915686 Cu 14.89170910 5.54651094 1.82575084 -0.94794321 0.23931161 1.17529669 Cu 0.02823294 7.42249573 0.03416485 -0.41896974 0.03827836 -0.41707785 Cu 1.88997621 9.29368936 0.01826099 0.28737909 0.06990815 -0.65403864 Cu 1.88097553 7.45986582 1.86408910 0.45297881 -0.29750451 0.72051163 Cu 0.02149860 9.32668797 1.87354183 -0.59144376 -0.31382162 0.44439108 Cu 3.71098190 7.40330060 0.00348036 0.08849574 -0.09551335 -0.45772065 Cu 5.57435082 9.26335666 0.00833537 0.10126511 0.23212289 -0.48936750 Cu 5.60160290 7.39426510 1.85360221 -0.47112676 0.36720918 1.02831047 Cu 3.73465480 9.28567924 1.82168521 0.09030414 0.08759848 1.20800302 Cu 7.42112996 7.40056366 0.03256763 0.19771350 0.54122731 -0.83038928 Cu 9.28670399 9.32017373 0.01428012 -0.09454565 -0.27018087 -0.32329944 Cu 9.24938039 7.42803636 1.85302157 0.30681542 0.32158477 0.69035735 Cu 7.39815147 9.27951573 1.89364087 0.19016779 0.20668798 0.18099156 Cu 11.13331791 7.40226041 0.01379427 -0.09439510 0.39822534 -0.57235913 Cu 12.98825863 9.25289406 0.02725319 0.26495036 0.16192698 -0.58799155 Cu 12.98562523 7.40453724 1.84861104 0.28767847 0.31405745 1.02091476 Cu 11.18705611 9.31992613 1.85321906 -0.42788651 -0.28388501 0.84110311 Cu 14.89658282 7.44573224 0.02109430 -0.67266043 0.07898437 -0.65470988 Cu 16.74391629 9.28295381 0.01954200 0.33550679 0.23507667 -0.40144949 Cu 16.71299445 7.42957883 1.83074794 0.66836827 -0.03748062 0.73465408 Cu 14.84658044 9.30488433 1.88695328 -0.65668112 -0.05496896 0.41122524 Cu 0.01072924 11.13347409 0.01326809 -0.49439138 -0.02170828 -0.52773396 Cu 1.83075743 12.98448248 0.02020278 0.64054928 0.11945786 -0.70509122 Cu 1.85378271 11.17698698 1.88089409 0.99192454 -0.40216933 0.66715616 Cu 0.03441342 12.97045846 1.88612523 -0.85448524 0.18689784 0.35455883 Cu 3.70118564 11.17230427 0.02116099 0.13946629 -0.18808980 -0.70090503 Cu 5.55515679 13.01995334 0.02301733 0.02012130 -0.07656056 -0.61656308 Cu 5.53983172 11.17186026 1.86200072 0.44290885 -0.21853213 0.54549617 Cu 3.69947743 12.97751380 1.84411313 -0.02692189 0.38751025 1.01483452 Cu 7.44605691 11.18170095 0.01849776 -0.32359444 -0.29016731 -0.38423528 Cu 9.25780366 13.01817782 0.00159248 0.51127000 -0.33144367 -0.47707661 Cu 9.26945510 11.14577605 1.88366680 0.32994249 0.04011304 0.46193600 Cu 7.44446694 13.04380733 1.83501157 -0.19654549 -0.24112600 1.29100278 Cu 11.16705542 11.12454532 0.01154698 -0.19919514 0.32296444 -0.51431914 Cu 12.97371919 13.03199288 0.01063841 0.19806314 -0.15001447 -0.39459106 Cu 12.98362388 11.15783033 1.88303872 0.35697372 -0.09029786 0.37283540 Cu 11.16873720 12.97432769 1.89222836 -0.23055722 0.22240077 0.38877648 Cu 14.86262261 11.18406458 0.00768282 -0.61048954 -0.24553105 -0.46136033 Cu 16.74142456 13.00931808 0.01835513 0.50681272 -0.09279958 -0.58682312 Cu 16.71889280 11.16473219 1.86755824 0.60944985 -0.09688830 0.52315427 Cu 14.89755028 13.01236558 1.87909060 -1.04533123 -0.14941432 0.42741255 Cu 0.03010092 14.83897850 0.02920965 -0.61989771 -0.23792041 -0.54487824 Cu 1.86685939 16.73537591 0.02198906 0.14140186 0.50646435 -0.60834506 Cu 1.82432960 14.86705256 1.89191467 1.07494288 -0.75689753 0.51883546 Cu 0.02289656 16.70309455 1.89250551 -0.64426686 0.62819535 0.28282149 Cu 3.68392006 14.86845884 0.03649010 0.00123177 -0.64297735 -0.70936659 Cu 5.58492551 16.70060613 0.03566948 0.03582298 0.50682668 -0.61066175 Cu 5.55910132 14.87650828 1.84978617 0.18620423 -0.67422609 1.06733480 Cu 3.69617279 16.72003908 1.82730515 0.15530046 0.59459954 0.99530901 Cu 7.42906473 14.83355932 0.02224738 -0.07344417 -0.07778438 -0.70027887 Cu 9.27596602 16.69555802 0.02782548 -0.05160484 0.59390779 -0.73832717 Cu 9.32262620 14.86462656 1.82607338 -0.27446486 -0.74889711 1.11196659 Cu 7.45572863 16.76222152 1.86510985 -0.23737412 0.33234290 0.44703838 Cu 11.11657702 14.84421138 0.03422707 0.23935659 -0.44100904 -0.75541164 Cu 12.97428618 16.72654937 0.00377059 0.08739093 0.32776913 -0.40432508 Cu 13.01456384 14.87641073 1.85183424 -0.16634694 -0.74004412 0.75000754 Cu 11.11509884 16.71815657 1.84746730 0.21654984 0.70115449 0.55754400 Cu 14.88947962 14.85734844 0.03521503 -0.66408886 -0.49155175 -0.87937861 Cu 16.70017780 16.73088984 0.03365521 0.48834956 0.32175704 -0.42680208 Cu 16.73885358 14.83173131 1.85375733 0.80906450 -0.34317983 0.57787056 Cu 14.89854538 16.70318440 1.84082361 -0.80836336 0.72737725 0.68721821 Cu 0.02758109 0.02165327 3.71498779 -0.56665556 -0.70831058 -0.15789589 Cu 1.87202024 1.85893401 3.74477984 0.75041139 0.78750388 -0.26156180 Cu 1.82385059 0.02556966 5.57148433 0.74290572 -0.82107489 0.30770553 Cu 0.01171144 1.82291978 5.53804031 -0.75336188 0.93369539 0.32083856 Cu 3.67982979 0.00058035 3.77082704 0.38874889 -0.38361946 -0.30278763 Cu 5.57445000 1.87427462 3.69108172 -0.36934993 0.52221886 0.35101766 Cu 5.58531755 0.00556918 5.60102021 -0.35104791 -0.47076634 -0.08884061 Cu 3.68271274 1.85108718 5.60815198 0.40825885 0.81958389 -0.10071958 Cu 7.38515702 0.01635070 3.75098674 0.31881162 -0.54136792 0.02212927 Cu 9.28122849 1.82712988 3.70209105 0.08480758 0.97547427 0.34211411 Cu 9.34283541 0.00382967 5.58276869 -0.28559515 -0.63866424 -0.21613419 Cu 7.40413421 1.84765864 5.59068131 0.28043863 0.91772963 -0.31717697 Cu 11.15766058 0.00023304 3.68460433 -0.09067153 -0.52416583 0.15355158 Cu 12.95520786 1.88716296 3.71109984 0.41537258 0.40525438 0.27531143 Cu 12.98836492 0.03051286 5.54797398 0.26534483 -0.52881591 0.00012273 Cu 11.11392308 1.85081939 5.58491154 0.31739011 0.98852435 -0.37926336 Cu 14.86345680 0.01616981 3.67689526 -0.50074595 -0.53257466 0.28834190 Cu 16.73924084 1.82351623 3.74142958 0.54975606 0.67993521 -0.11247380 Cu 16.71338362 0.00195634 5.62109836 0.34690951 -0.62399609 -0.27326401 Cu 14.88302292 1.89522995 5.56809970 -1.03549634 0.16563810 -0.19649423 Cu 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3.74452221 5.61985798 -0.20212551 -0.27112593 -0.41697935 Cu 11.17970315 5.61105214 5.60420198 -0.48315541 -0.47488109 -0.28592592 Cu 14.84124566 3.70256848 3.69045632 -0.40989814 0.23101405 0.25824404 Cu 16.74381989 5.59202237 3.73266786 0.30498277 -0.22200995 -0.10680290 Cu 16.71466537 3.70057172 5.57936214 0.60799822 0.18500227 -0.22711016 Cu 14.87751865 5.54373329 5.59973735 -0.68815860 0.17345093 -0.29301287 Cu 0.03231527 7.40845282 3.73057034 -0.42303327 0.01648738 -0.02507273 Cu 1.85361189 9.31027811 3.74262347 0.87139524 -0.27863976 -0.18493253 Cu 1.86682542 7.41619841 5.60523122 0.78841930 0.20010232 -0.45715062 Cu 0.02403982 9.25952494 5.60752003 -0.49141175 0.37190966 -0.18601846 Cu 3.72043788 7.43486727 3.70321246 0.18917488 0.16717265 0.16687905 Cu 5.60715708 9.32622406 3.73554381 -0.31945412 -0.58898588 -0.27840244 Cu 5.56364106 7.41073138 5.60617124 0.15203079 0.46233983 -0.34054907 Cu 3.74782793 9.32633825 5.54903161 -0.09827146 -0.77739055 0.21125140 Cu 7.46463735 7.47024873 3.71439627 -0.21324537 -0.38262567 0.22296338 Cu 9.32257920 9.30009527 3.73018330 -0.07549003 -0.12114696 -0.15942058 Cu 9.25938661 7.40012507 5.59751925 0.13354357 0.11238322 -0.26221238 Cu 7.43896027 9.31606349 5.55485104 0.01248783 -0.18917964 0.19190207 Cu 11.09145492 7.46258384 3.68298670 0.28156906 -0.21732162 0.25936030 Cu 12.98550236 9.28956705 3.77590273 0.24680461 -0.25708523 -0.50219258 Cu 12.97592653 7.41712985 5.58286227 0.52886882 0.14871242 -0.10596129 Cu 11.18300508 9.27318544 5.55094922 -0.39510257 0.02284391 0.38164283 Cu 14.86510309 7.42108416 3.69475170 -0.83651944 0.00243367 0.17954247 Cu 16.75910768 9.26031382 3.68308799 0.31616301 0.17253402 0.15974089 Cu 16.69073331 7.42015158 5.54591662 0.50540929 0.09191653 0.18758516 Cu 14.88849207 9.30785925 5.57865345 -0.88326790 -0.28751079 -0.29347457 Cu 0.02477606 11.15504473 3.69919433 -0.62884939 -0.08411723 0.49718591 Cu 1.86932757 13.02253924 3.73997706 0.86825179 -0.25923195 -0.10359116 Cu 1.88961848 11.12500093 5.54853652 0.26236356 0.26904843 0.24657159 Cu 0.01624573 13.02998672 5.54115993 -0.38904880 -0.23523122 0.32227817 Cu 3.74768063 11.14066010 3.74653686 -0.37661990 0.06100276 -0.47539118 Cu 5.55973875 12.97239143 3.71390491 0.45230169 0.32823340 -0.01723273 Cu 5.56678316 11.11423862 5.54659999 0.38421959 0.58031659 0.47004829 Cu 3.71815114 13.02464742 5.55657639 0.21114927 -0.18544738 0.43197028 Cu 7.47093003 11.13445038 3.69072436 -0.21615756 0.51181820 0.21700158 Cu 9.32857340 13.04062631 3.69879252 -0.42911507 -0.18688447 0.21081555 Cu 9.32104310 11.11692789 5.53857608 -0.18600582 0.34515142 0.26110722 Cu 7.40625451 13.00073703 5.59060455 0.32597874 -0.10634134 -0.42176239 Cu 11.16955785 11.16389319 3.73933911 -0.24163869 -0.17633376 -0.16301783 Cu 13.01997249 12.97645405 3.71597159 -0.15652655 0.30025745 0.12968920 Cu 12.97549107 11.13638608 5.57136635 0.39891580 0.27112023 0.24502999 Cu 11.12353965 12.99576787 5.56814811 0.27677838 0.10857251 0.00053771 Cu 14.84409587 11.14062016 3.70146718 -0.35417430 -0.10306536 0.35276411 Cu 16.69091263 13.01989507 3.75525040 0.76236514 -0.20627381 -0.04660084 Cu 16.74816918 11.10973098 5.58379143 0.44120589 0.21232076 -0.24915299 Cu 14.88705497 13.01400549 5.55219897 -0.89054223 -0.23247405 0.47733715 Cu 0.00808432 14.83416953 3.72261749 -0.75975784 -0.24316859 0.02464004 Cu 1.86674049 16.70313245 3.73885336 0.55980749 0.68990171 -0.07637087 Cu 1.88883011 14.88042409 5.54206282 0.40277372 -0.71929533 0.53599455 Cu 0.00019794 16.70317706 5.58245329 -0.36203040 0.41957214 0.04291643 Cu 3.75195177 14.84655798 3.73401662 0.02380119 -0.39783191 -0.32162457 Cu 5.58860066 16.73440741 3.75063879 -0.25256311 0.37267636 -0.28960796 Cu 5.59241901 14.85554251 5.60253834 -0.24883093 -0.62207868 -0.15788109 Cu 3.70966248 16.71299618 5.59477776 0.27927608 0.49457081 0.01744757 Cu 7.46555135 14.90113453 3.74274446 -0.34986697 -1.20502704 -0.28921810 Cu 9.27081536 16.70304803 3.68936019 0.21209389 0.62690800 0.26029197 Cu 9.33468553 14.86993177 5.57163525 -0.37180207 -0.60019959 0.17156023 Cu 7.40918994 16.71283346 5.56577684 0.35854752 0.54516780 0.30349717 Cu 11.16579026 14.89836281 3.73103577 -0.05102847 -0.95116866 -0.25716831 Cu 12.98267651 16.72820209 3.69377161 0.19341575 0.53893166 -0.00848901 Cu 12.97534535 14.85161915 5.54244786 0.17715585 -0.60043120 0.30991834 Cu 11.13587636 16.75530524 5.56205324 0.12150327 0.43858212 0.01012365 Cu 14.85395245 14.84105275 3.71676477 -0.57232350 -0.24687560 0.03640663 Cu 16.73459042 16.69661761 3.67259622 0.42011036 0.35808087 0.23836177 Cu 16.74499658 14.87173668 5.61442577 0.43844428 -0.46396965 -0.16044256 Cu 14.85437766 16.70971537 5.54685000 -0.48551435 0.43759296 0.09912900 Cu 0.01030834 0.03547317 7.41461999 -0.56253128 -0.65345658 0.06817059 Cu 1.83170943 1.87962612 7.45929420 0.96824925 0.66076244 -0.21548757 Cu 1.83389535 0.00244872 9.31547896 0.56373002 -0.79286956 -0.17380309 Cu 0.02931837 1.82353239 9.27834108 -0.77579838 0.75185742 0.33068714 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-0.46286649 0.35362300 -0.62434908 Cu 13.02168334 7.41476978 16.75945705 -0.20984150 -0.01695024 0.26959402 Cu 11.13166322 9.30725200 16.72644630 0.27204271 -0.27867074 0.38531145 Cu 14.84432089 7.46109335 14.81054495 -0.22206556 -0.35740512 0.15366628 Cu 16.71322932 9.27781998 14.90350102 0.57780706 -0.04463756 -0.66074961 Cu 16.75004780 7.39669647 16.75863656 0.19219046 0.11216509 0.19652031 Cu 14.85089246 9.29624838 16.75083592 -0.21906987 -0.20997485 0.49643466 Cu 0.01307338 11.10121754 14.85898479 -0.86903869 0.37138364 -0.58066794 Cu 1.86970908 13.01546259 14.83671725 0.64964041 -0.14178193 -0.14120172 Cu 1.83930115 11.15156084 16.69615575 0.59999272 0.19801929 0.75594761 Cu 0.02727171 12.98334202 16.71076172 -0.46116607 0.07634409 0.41692955 Cu 3.69819830 11.11975662 14.86496776 0.34103991 0.27123442 -0.48501174 Cu 5.58314596 12.96550323 14.86128396 -0.14492652 0.30301972 -0.59483851 Cu 5.58593728 11.12331733 16.70979321 0.01944366 0.18048306 0.44646679 Cu 3.68199100 12.98376269 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Cu 1.88219900 16.71291001 14.86619160 0.22951430 0.84941423 -0.30021478 Cu 1.88719810 14.87654012 16.70545451 0.19195443 -0.61659752 0.85983079 Cu 0.00846839 16.69432568 16.71825293 -0.28242158 0.29555877 0.25927297 Cu 3.69805953 14.88151365 14.89405480 0.48379159 -0.93126900 -0.91044644 Cu 5.58778162 16.76271353 14.88601759 -0.18291213 0.44713568 -0.78147414 Cu 5.54373094 14.90157205 16.71634991 0.09111943 -0.84905844 0.51266822 Cu 3.73559461 16.69367915 16.76269553 -0.10774468 0.75340615 0.45311307 Cu 7.44291167 14.87843350 14.89846508 -0.29242141 -0.80934173 -0.98678574 Cu 9.27627059 16.72266392 14.87611782 0.21848282 0.74058397 -0.53312426 Cu 9.32260989 14.89626302 16.69620479 -0.22396293 -0.67915703 0.88927949 Cu 7.39845080 16.75378772 16.71880696 0.20678274 0.38066157 0.58096299 Cu 11.12266931 14.87109638 14.89250223 0.13026597 -0.73351910 -0.95809529 Cu 12.98708143 16.68919155 14.87495066 0.06315636 0.78915234 -0.42929883 Cu 12.97334828 14.87744600 16.71246537 0.11897039 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