500 Lattice="17.829879299953873 0.0 0.0 0.0 17.829879299953873 0.0 0.0 0.0 17.829879299953873" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1571.8014984627303 stress="-0.005482943841759198 -3.943810913359098e-05 -0.00013196944728398568 -3.943810913359098e-05 -0.005481943020492444 -0.00016999403502853454 -0.00013196944728398568 -0.00016999403502853454 -0.005544670088902814" free_energy=-1571.8014984627303 pbc="F F F" Cu 0.01226111 0.01912442 0.02816956 0.56451243 0.61051420 0.61218828 Cu 1.76279814 1.80549528 0.00366535 0.18185212 -0.15833375 -0.08345611 Cu 1.76897960 0.00553868 1.80676074 0.20255591 0.00414371 -0.19275604 Cu 0.01020270 1.81374079 1.81632848 -0.12412779 -0.00917711 -0.12599704 Cu 3.58218920 0.02768180 0.00686093 -0.20371729 0.29153669 0.34402509 Cu 5.34064736 1.79358256 0.02733855 0.14774793 -0.09738046 -0.47834901 Cu 5.31782187 0.02335997 1.81804441 0.26810256 -0.43498560 -0.27762087 Cu 3.57973355 1.81017540 1.75138074 -0.56725128 -0.10928184 0.27877083 Cu 7.15774123 0.02484444 0.00655720 -0.11837981 0.32516923 0.43172850 Cu 8.92326043 1.79767570 0.02242067 -0.15058637 -0.09702155 -0.31399814 Cu 8.94744697 0.01596125 1.78766134 -0.22808133 -0.21457975 -0.06073779 Cu 7.09913929 1.80547842 1.77324512 0.47334496 -0.16878609 0.23794651 Cu 10.72522404 0.00064975 0.01503393 -0.19047651 0.21918419 0.19427351 Cu 12.46052182 1.74833547 0.02225535 0.22269113 0.38175323 -0.36235287 Cu 12.45472908 0.02279199 1.78867941 0.17896027 -0.47359466 0.07163926 Cu 10.69707787 1.79373915 1.76583296 -0.10596962 -0.05000765 0.18014485 Cu 14.23457610 0.02836442 0.01134471 0.09748778 0.34133283 0.41805511 Cu 16.04529415 1.80618229 0.01800822 -0.47923615 -0.11936409 0.34986531 Cu 16.07545031 0.00441657 1.76116097 -0.50262862 0.47561337 0.02492303 Cu 14.23524378 1.74766117 1.81126060 0.12740615 0.40460932 -0.29213986 Cu 0.03183372 3.56396642 0.02278896 0.14800569 0.01933671 0.19007887 Cu 1.78108132 5.37842105 0.00235363 0.00215909 -0.08879122 -0.35605818 Cu 1.80207667 3.59546512 1.75323374 -0.07837125 -0.36525333 0.43323886 Cu 0.01441364 5.33820204 1.78498774 -0.27673324 0.07341665 0.14136719 Cu 3.59347606 3.58119957 0.00555761 -0.23922748 -0.07120371 -0.41982981 Cu 5.36757078 5.31609873 0.02109572 -0.26084626 0.30397676 -0.40599135 Cu 5.35877265 3.55343767 1.79597219 -0.08458472 0.27050410 0.23174865 Cu 3.54201728 5.34200039 1.77277810 0.40873658 0.08219824 0.20971547 Cu 7.11106362 3.60020954 0.03565515 0.14497276 -0.42597726 -0.53031293 Cu 8.88969623 5.31864101 0.01608819 0.32575196 0.19576600 -0.49546414 Cu 8.93465265 3.58313765 1.76240306 -0.27374297 -0.36367546 0.42768277 Cu 7.15040601 5.36491148 1.76048421 0.03072285 -0.25374136 0.54666519 Cu 10.68243776 3.54635837 0.00535669 0.23414728 0.13582128 -0.40506893 Cu 12.47298756 5.35457153 0.00639734 0.17543703 -0.26803963 -0.17552717 Cu 12.45190910 3.55885987 1.80342359 0.44122557 0.05817625 -0.27658473 Cu 10.68233137 5.32070688 1.80934051 -0.03313631 0.16605302 -0.20396444 Cu 14.27162677 3.56465317 0.02521132 -0.21239913 -0.11135234 -0.24980977 Cu 16.07748466 5.36900602 0.00824794 -0.47360049 -0.09892346 0.32492710 Cu 16.01497157 3.51828904 1.76409723 0.35544831 0.10592632 0.22859819 Cu 14.29865662 5.31356304 1.79637770 -0.23655576 0.16975762 -0.14313657 Cu 0.00548091 7.13935345 0.02369056 0.26479602 -0.10258436 0.22336903 Cu 1.75658966 8.92221986 0.03281007 0.10451393 -0.20636703 -0.46732043 Cu 1.79541248 7.10756195 1.80702983 -0.12089904 0.20165551 -0.11980444 Cu 0.01413362 8.88468124 1.76127081 -0.36667951 0.21538799 0.21133049 Cu 3.54643443 7.15866992 0.02632539 0.09920828 -0.28170171 -0.47693609 Cu 5.33498021 8.91911116 0.01870502 0.14718821 -0.13674619 -0.52950950 Cu 5.38244908 7.09807938 1.76505299 -0.32406009 0.12713191 0.25679518 Cu 3.59299659 8.88109717 1.74800736 -0.22341844 0.18542661 0.56131901 Cu 7.14732485 7.10776014 0.01986186 -0.11945493 0.21389965 -0.58844533 Cu 8.88718965 8.93685686 0.01299709 0.26591088 -0.05487768 -0.31154598 Cu 8.90433267 7.14913717 1.75534300 0.03135668 -0.14284213 0.33933714 Cu 7.09740557 8.92448694 1.75862007 0.38134693 -0.22669310 0.33912773 Cu 10.71966438 7.09045214 0.02877370 -0.31888518 0.18615544 -0.37072349 Cu 12.47995559 8.88402850 0.03225907 -0.12581114 0.23431244 -0.36712950 Cu 12.46537792 7.09509798 1.77956796 0.09446356 0.25044860 0.28483217 Cu 10.66242700 8.90131720 1.80237751 0.32968183 0.03735703 -0.23748207 Cu 14.23453378 7.15512824 0.02419252 0.21516397 -0.38820675 -0.33819745 Cu 16.01822332 8.91295191 0.00990276 -0.17783688 -0.02213926 0.25220142 Cu 16.05461841 7.11688255 1.75301550 0.15505173 0.09963403 0.27018601 Cu 14.24551423 8.88973168 1.76499839 0.07205466 0.09546285 0.47407638 Cu 0.00896815 10.68310882 0.00645479 0.31949284 0.16770871 0.35837153 Cu 1.80567631 12.50412077 0.02558784 -0.17643336 -0.27836941 -0.42477785 Cu 1.82670764 10.67768803 1.75182833 -0.40596389 0.12194956 0.44025171 Cu 0.00892215 12.49005627 1.78734511 -0.11375377 -0.18596393 0.01382901 Cu 3.54908659 10.66392474 0.00974759 0.13649872 0.18859175 -0.48855586 Cu 5.32678225 12.49602600 0.01202122 0.18160905 -0.13795446 -0.28107094 Cu 5.34951102 10.69282944 1.78827444 -0.12542995 0.19124241 -0.09878212 Cu 3.54865646 12.45977078 1.76234922 0.26013680 0.23709276 0.29497289 Cu 7.11505739 10.67407752 0.01106158 0.04854193 0.34863383 -0.30551373 Cu 8.94335547 12.46220531 0.02301007 -0.31886239 0.09103017 -0.24936857 Cu 8.91021370 10.71143022 1.81412934 0.06388348 -0.05740435 -0.20390031 Cu 7.11733310 12.46694227 1.81010603 0.23436098 0.12961157 -0.33511028 Cu 10.71894606 10.70595853 0.01436195 -0.08371192 -0.18185335 -0.21733622 Cu 12.47036107 12.50806425 0.03037385 0.24895704 -0.23901040 -0.55903523 Cu 12.50325491 10.70401576 1.76320773 -0.02302440 -0.10680020 0.17145340 Cu 10.71925288 12.48613301 1.78014897 -0.11784704 -0.12905045 0.34303375 Cu 14.29587706 10.70012750 0.02339683 -0.19824605 0.01004188 -0.31041606 Cu 16.03982558 12.48500348 0.01216360 -0.25106362 0.03886168 0.28304439 Cu 16.04928473 10.67248858 1.81083977 0.24551276 0.09384432 -0.13214359 Cu 14.29838639 12.48735999 1.76998868 -0.18281831 -0.10579600 0.11643017 Cu 0.02786923 14.19861373 0.03113527 0.31760016 0.22347858 0.28198824 Cu 1.78479000 16.05358687 0.01151017 0.05104563 -0.45140489 0.33853787 Cu 1.83921493 14.28868295 1.75205329 -0.24273141 -0.14345436 0.32268582 Cu 0.02630745 16.01242296 1.79215288 0.27423580 -0.30477348 -0.11670422 Cu 3.55890976 14.23830348 0.00663167 0.16790594 0.28592686 -0.37161730 Cu 5.31700122 16.07220976 0.02967052 0.14774929 -0.42740841 0.24118325 Cu 5.37454790 14.24841999 1.78824986 -0.34288152 0.11276770 -0.10801583 Cu 3.58004620 16.04495831 1.75092518 -0.00219862 0.20291649 0.25058965 Cu 7.12984260 14.28499082 0.02428323 0.08300158 -0.17733306 -0.21616314 Cu 8.89835381 16.05391234 0.00886781 0.12755820 -0.42927718 0.44155217 Cu 8.92980691 14.23605991 1.81568253 -0.21506028 0.19766142 -0.35673665 Cu 7.13535009 16.03320912 1.79052775 -0.00410850 0.34531686 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0.33378301 Cu 5.35624901 0.01679140 5.38119717 -0.27423710 -0.25372066 -0.14797515 Cu 3.55078912 1.80645294 5.35893132 0.16907599 -0.28760304 0.11768777 Cu 7.15495291 0.03415220 3.57846399 -0.16841997 -0.34785092 -0.20336009 Cu 8.94420296 1.75906366 3.58129815 -0.30423911 0.38976174 -0.46466370 Cu 8.94425588 0.02309597 5.31630269 -0.19404996 -0.49078029 0.26391767 Cu 7.09412687 1.79391612 5.33292516 0.21754253 0.03958358 0.06127918 Cu 10.71450973 0.00439793 3.54522920 0.04771820 -0.35972156 0.03314001 Cu 12.46122602 1.81122318 3.55296992 0.24028743 -0.28254083 0.11803557 Cu 12.47920915 0.02510314 5.34761540 0.15279156 -0.38924422 -0.23661436 Cu 10.68322093 1.77933575 5.32632074 0.21019401 0.23201146 0.12673365 Cu 14.29006880 0.03101033 3.53096644 -0.26256691 -0.56464720 0.12917995 Cu 16.01748273 1.75696650 3.56027339 0.50361173 0.24835463 -0.16281474 Cu 16.05551279 0.02043842 5.33174648 -0.24644866 0.17798878 0.08114222 Cu 14.28885692 1.76313891 5.32771633 -0.23219185 0.17119806 0.12997535 Cu 0.00653387 3.56174193 3.60146592 -0.11955772 0.11633515 -0.08689944 Cu 1.80881997 5.36600649 3.55301502 -0.18585158 -0.33997168 0.12652243 Cu 1.81012062 3.53318998 5.34466401 -0.09395658 0.38864786 0.09135940 Cu 0.01986119 5.39050832 5.37119998 -0.27229859 -0.19452320 -0.22099452 Cu 3.57482819 3.55121446 3.56880206 -0.14601267 0.13542494 -0.17371450 Cu 5.38092570 5.34568873 3.56431749 -0.32123699 -0.14342277 -0.08664348 Cu 5.32897688 3.54654361 5.35335697 0.14496653 0.23772031 -0.04986020 Cu 3.54983928 5.36750362 5.34170117 0.25713125 -0.23576388 0.05937431 Cu 7.16583259 3.57429850 3.56838436 -0.31517922 -0.19217968 -0.21410460 Cu 8.93226799 5.31864243 3.59724249 -0.18757735 0.21383794 -0.39010511 Cu 8.88544783 3.55489727 5.32304681 0.40327172 -0.05597543 0.34758642 Cu 7.14524896 5.35950568 5.35984074 -0.20779023 -0.26248464 -0.10562419 Cu 10.70426703 3.53868928 3.54639666 -0.17337056 0.18449865 0.24706644 Cu 12.46815652 5.37241034 3.53691585 0.11519466 -0.17109583 0.32971508 Cu 12.47895273 3.54613994 5.32812321 0.02514063 0.14717314 0.22256013 Cu 10.70194258 5.36517865 5.33112064 0.08504760 -0.25656748 0.07148609 Cu 14.25094737 3.57474754 3.59389370 0.02717344 -0.19348249 -0.35689532 Cu 16.06575047 5.31687668 3.57082215 0.25415240 0.12477351 -0.14178355 Cu 16.05190008 3.54821591 5.34145218 0.34062348 -0.04569913 0.01748841 Cu 14.27550061 5.32547394 5.33421950 -0.14097822 0.22850903 0.25387039 Cu 0.01933919 7.16002526 3.59036558 -0.48940154 -0.30139478 -0.34599350 Cu 1.75713461 8.90976366 3.54066587 0.52507425 0.24317103 -0.03497456 Cu 1.77974793 7.12400022 5.31632337 0.20822214 0.19603894 0.35540871 Cu 0.01894825 8.89393250 5.33621259 -0.33511608 0.07406171 0.20952579 Cu 3.56986890 7.15670846 3.55732732 0.19138207 -0.11692190 -0.09836140 Cu 5.36047966 8.94161226 3.54094821 -0.09777554 -0.25811751 0.29058147 Cu 5.36903637 7.12201733 5.31700647 -0.15535143 0.23890021 0.26271889 Cu 3.54095601 8.89650506 5.35499498 0.30441636 0.12326096 -0.25427314 Cu 7.14040773 7.10197468 3.55327372 0.15638179 0.35948479 -0.07697157 Cu 8.94095313 8.91912967 3.59352210 -0.38907711 -0.18813365 -0.28092149 Cu 8.89098716 7.11867336 5.35650329 0.30851225 0.17324982 -0.27641176 Cu 7.15133732 8.91131919 5.35155661 -0.33862055 0.12945402 -0.10928869 Cu 10.65072861 7.10761067 3.54591319 0.31312687 0.19581267 0.17792376 Cu 12.44828006 8.92468863 3.59728100 0.48342998 -0.41973733 -0.59638633 Cu 12.50997773 7.16465303 5.37315546 -0.10439812 -0.14140391 -0.27108718 Cu 10.71961532 8.94170587 5.31749142 -0.10422976 -0.31543739 0.49706140 Cu 14.25929136 7.10740758 3.54066080 0.04248745 0.30040800 0.08441374 Cu 16.06080160 8.93159584 3.57812771 0.07339843 -0.18109314 -0.18778651 Cu 16.02340772 7.15568774 5.32516554 0.23009097 -0.25729585 0.13911088 Cu 14.28706874 8.94655415 5.37834341 -0.30833387 -0.43829391 -0.45502919 Cu 0.03093304 10.69205053 3.58059683 -0.24297238 0.09322028 -0.22645726 Cu 1.77786228 12.51603115 3.53398022 0.18985202 -0.29593921 0.09297489 Cu 1.78124372 10.68036074 5.37148059 0.12218011 0.21655367 -0.41624162 Cu 0.00063908 12.52989724 5.32356197 -0.14931946 -0.12379161 0.08748935 Cu 3.58770751 10.72187082 3.54706044 -0.28612976 -0.24460754 0.21507233 Cu 5.37681365 12.48977607 3.54518616 -0.31373484 -0.11668506 0.24742316 Cu 5.35874566 10.71938018 5.38222746 -0.10890548 -0.22592167 -0.41968224 Cu 3.53084971 12.44858398 5.38056188 0.39565697 0.20609154 -0.39350560 Cu 7.15298618 10.66742480 3.53201580 -0.06427734 0.09778987 0.33979915 Cu 8.91079088 12.51304473 3.57744830 0.03484425 -0.38761693 -0.05765692 Cu 8.94502030 10.67570550 5.36275643 -0.18331143 0.26203763 -0.13084113 Cu 7.12288771 12.42073250 5.31703071 0.13380201 0.33334508 0.08194572 Cu 10.71571944 10.67581871 3.51713133 -0.09195840 0.48892099 0.21692148 Cu 12.51245437 12.47780903 3.57505125 -0.29706462 0.05697418 -0.16496572 Cu 12.51290863 10.66320914 5.31830605 -0.25577131 0.35657508 0.41548414 Cu 10.69095060 12.47057328 5.32488589 0.22999697 -0.00848547 0.12366723 Cu 14.25694415 10.69224189 3.53762184 0.13033441 0.01111200 0.04926292 Cu 16.06608443 12.50211771 3.55324427 0.09197371 -0.13956263 0.07842476 Cu 16.01738717 10.69497478 5.36800746 0.48027917 0.35433984 -0.30538804 Cu 14.23437916 12.47616466 5.37102711 0.19801361 0.08145705 -0.05741978 Cu 0.02286223 14.27031888 3.53016642 -0.26286783 0.03073026 0.01443612 Cu 1.78360077 16.04968329 3.51615146 0.21834523 0.18042912 0.19277749 Cu 1.81498122 14.27474065 5.31410145 -0.20520623 0.10823495 0.15620350 Cu 0.00509264 16.02239088 5.32232053 0.44052984 -0.38600413 0.08991571 Cu 3.59987906 14.24818014 3.57699703 -0.12839847 0.13400233 -0.13140520 Cu 5.37171798 16.04909935 3.54926731 -0.34933528 0.30314557 0.00897312 Cu 5.36152168 14.27244459 5.34857806 -0.19326766 -0.17759321 0.02784192 Cu 3.54482141 16.08080052 5.38313861 0.14887522 0.05766559 -0.17516517 Cu 7.12130034 14.28458811 3.55076448 0.17319454 -0.19326121 0.18442233 Cu 8.90049339 16.08114302 3.52353588 0.11121528 0.12855695 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