500 Lattice="18.45926481644188 0.0 0.0 0.0 18.45926481644188 0.0 0.0 0.0 18.45926481644188" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1302.1969062611654 stress="-0.004059865341903871 -0.00013764077788054615 -8.607920691803338e-05 -0.00013764077788054615 -0.003773030223464324 -0.00033633691859170386 -8.607920691803338e-05 -0.00033633691859170386 -0.004086576919647599" free_energy=-1302.1969062611654 pbc="F F F" Cu 0.03339558 0.02148132 0.00412849 -0.35395965 -0.45566607 -0.48420837 Cu 1.87133756 1.86624605 0.00531452 0.52312661 0.25313716 -0.91509826 Cu 1.86488648 0.00425927 1.84372724 0.50615581 -0.86042136 0.51278470 Cu 0.03547790 1.81347058 1.82219589 -0.92865618 0.77029057 0.69796193 Cu 3.75581239 0.02308230 0.03000920 -0.21549788 -0.56776558 -0.81135038 Cu 5.58817660 1.86893575 0.01449817 -0.32959204 0.26136044 -1.03908811 Cu 5.51967848 0.03238933 1.84096361 0.43169435 -0.85264909 0.60850851 Cu 3.69365513 1.80993830 1.85608919 -0.08169530 1.22078578 0.85081694 Cu 7.41613976 0.01088251 0.02553480 -0.33062400 -0.72405024 -0.76246570 Cu 9.21488074 1.84758091 0.00901226 0.20561315 0.91981013 -0.80278384 Cu 9.19619868 0.01882108 1.81533145 0.28048959 -0.75891045 0.99277598 Cu 7.35542949 1.85165469 1.81004586 0.45716812 0.91491569 1.37401074 Cu 11.10978080 0.00200402 0.03655828 -0.18744775 -0.66225548 -0.75012238 Cu 12.90988008 1.85429852 0.03559220 -0.20784809 0.71523681 -0.76742830 Cu 12.89604053 0.00917366 1.87464352 0.10873444 -0.79709685 0.36430990 Cu 11.02447565 1.81259701 1.81996900 0.33324122 1.26390647 1.01255420 Cu 14.73555953 0.03397869 0.01055343 -0.36105694 -0.73983306 -0.64348863 Cu 16.61708153 1.83329801 0.03588327 0.68926311 0.43660140 -0.68901627 Cu 16.58724549 0.01157491 1.84818596 0.63188120 -0.78939915 0.24549304 Cu 14.73469856 1.85951758 1.81413262 -0.44507807 0.50332197 1.02064290 Cu 0.03469875 3.71164263 0.01998647 -0.68803228 -0.02830800 -0.71726241 Cu 1.83755417 5.59106596 0.03097457 0.71681108 -0.32781780 -0.62785884 Cu 1.82253613 3.69257798 1.82200937 1.27485214 0.09695278 1.02869410 Cu 0.00053474 5.52907801 1.85276805 -0.81121816 0.23402791 0.51996233 Cu 3.70812015 3.67013189 0.01892853 -0.15682063 0.38328665 -0.58100547 Cu 5.56030782 5.52147549 0.03234151 -0.03906276 0.30635473 -0.59725800 Cu 5.50313143 3.65879887 1.81757753 0.18746530 0.46404312 1.54118270 Cu 3.72667636 5.58508118 1.86382785 -0.45129887 -0.54929669 0.89270670 Cu 7.36379458 3.70128655 0.02887591 0.43020500 0.20470027 -0.54526301 Cu 9.22130895 5.53405974 0.03561336 -0.19124374 -0.19236751 -0.83762198 Cu 9.26430116 3.73495505 1.87851591 -0.28886939 -0.39381753 0.50825493 Cu 7.40977826 5.55853528 1.86689144 -0.36710968 -0.19071708 0.69964691 Cu 11.11109725 3.74632179 0.02726906 -0.19225036 -0.35120732 -0.65453911 Cu 12.95678185 5.54404226 0.03436081 -0.13680362 -0.00272379 -0.76414874 Cu 12.93998244 3.72251995 1.87034960 -0.22155840 -0.20208232 0.71516297 Cu 11.07512059 5.50587372 1.85206039 0.08598209 0.39376843 0.97922077 Cu 14.78839095 3.67760067 0.03075749 -0.55985375 0.26220866 -0.80041912 Cu 16.62616745 5.54406428 0.01080120 0.45481640 -0.07920168 -0.40281786 Cu 16.60896103 3.67813578 1.87492881 0.75119645 0.21447011 0.25269135 Cu 14.76386477 5.57079898 1.84387206 -0.27169566 -0.24523959 0.87243630 Cu 0.02506870 7.40998771 0.01425661 -0.74402713 -0.21231545 -0.73160051 Cu 1.85536938 9.21167954 0.03602360 0.88345726 0.25575132 -0.76417003 Cu 1.81173356 7.41933623 1.87465781 1.25079162 -0.52853578 0.86001966 Cu 0.00953372 9.17651941 1.83274514 -0.89558525 0.46645113 0.83164161 Cu 3.66844351 7.36905776 0.01799607 0.31961814 0.12718307 -0.58243573 Cu 5.50131804 9.24542975 0.03238903 0.09232132 -0.27541525 -0.65916329 Cu 5.51090727 7.37182674 1.87424061 0.42625858 0.12602982 0.31485774 Cu 3.71130582 9.20603890 1.87990129 -0.24120337 0.20097705 0.49697054 Cu 7.39873702 7.42117325 0.02327443 -0.25474225 -0.06701463 -0.57878877 Cu 9.28195986 9.23446612 0.02902089 -0.25020803 -0.10489051 -0.61861518 Cu 9.21743058 7.34832632 1.82641108 0.16034793 0.51729111 1.17277291 Cu 7.35587444 9.25257165 1.83761231 0.34069264 -0.25774937 0.92920765 Cu 11.04316032 7.32253622 0.02258343 0.35596787 0.15441044 -0.63010526 Cu 12.89939947 9.21774419 0.00109836 0.27816184 -0.21667583 -0.56115212 Cu 12.92376571 7.34362751 1.86917622 -0.16469976 0.55498418 0.51237901 Cu 11.11593173 9.20389666 1.81731072 -0.20734753 0.08896455 1.43228256 Cu 14.77439161 7.38114390 0.01112892 -0.54155278 0.11686266 -0.65163700 Cu 16.59752551 9.22536535 0.00241493 0.59789078 0.17388770 -0.59933547 Cu 16.64335523 7.40331177 1.84586703 0.54567915 -0.07947644 0.53383306 Cu 14.79466729 9.26790748 1.81054991 -1.15480380 -0.36821227 0.96326192 Cu 0.02022246 11.01949608 0.00124726 -0.64523395 0.14778189 -0.43300753 Cu 1.82402927 12.89278949 0.01992504 0.69815048 0.32371085 -0.79971340 Cu 1.85135529 11.10379551 1.82340107 0.71253840 -0.46619428 0.97092704 Cu 0.01382812 12.95493602 1.84775738 -0.81873012 -0.30342683 0.54929512 Cu 3.72103461 11.10494237 0.01423059 -0.24838856 -0.19992649 -0.54327633 Cu 5.50574933 12.95530001 0.03678907 0.21428959 -0.22787718 -0.59477132 Cu 5.53375686 11.09030401 1.82131923 -0.13347827 -0.08940195 0.92268466 Cu 3.65701505 12.92816812 1.87972883 0.19347823 0.00140343 0.26722221 Cu 7.39457272 11.05555922 0.03509483 -0.23654978 0.03897836 -0.96767925 Cu 9.24254022 12.87269366 0.02455725 -0.10753273 0.23154750 -0.71602843 Cu 9.21096452 11.06764216 1.82678711 0.47575421 -0.23796874 1.28421641 Cu 7.37189362 12.88515992 1.83032805 0.00787113 0.48204810 0.89495890 Cu 11.10778297 11.04662111 0.00823621 -0.14167271 0.32113602 -0.55565141 Cu 12.87452812 12.96151902 0.03183837 0.25661438 -0.21075237 -0.71070058 Cu 12.92844302 11.10415626 1.81826398 -0.27687740 -0.20196656 1.27925729 Cu 11.04670281 12.95539427 1.83987029 0.16325469 -0.55954928 0.92935613 Cu 14.77286115 11.12518268 0.01814123 -0.67450926 -0.13469918 -0.96095292 Cu 16.62875738 12.93854012 0.03591817 0.56822414 -0.00201860 -0.64932997 Cu 16.58492271 11.10619325 1.85803772 1.08494203 -0.24023268 0.50182927 Cu 14.77556502 12.91319541 1.85418400 -0.86578818 0.27613781 0.77628828 Cu 0.00214134 14.77000160 0.02661158 -0.57519108 -0.25644708 -0.66610757 Cu 1.84264364 16.62601453 0.00689589 0.36681722 0.49596150 -0.64835091 Cu 1.81758212 14.79317125 1.87462555 0.86227032 -0.77634698 0.23595976 Cu 0.02838760 16.63799137 1.86981644 -0.74516833 0.58742064 0.35087617 Cu 3.71122769 14.77374615 0.01285412 -0.33522192 -0.55283927 -0.63035891 Cu 5.57418237 16.60646342 0.03289363 -0.21237803 0.61257326 -0.66646002 Cu 5.51224355 14.79428432 1.87295811 0.29114732 -0.93148014 0.71100849 Cu 3.67072405 16.60536903 1.83010313 0.13103549 0.77805025 0.63144658 Cu 7.36080703 14.75145498 0.01355633 0.31346937 -0.51436855 -0.55782794 Cu 9.26465911 16.59996516 0.03643547 -0.36990203 0.52313731 -0.70138932 Cu 9.21059116 14.77130277 1.85880299 -0.05774954 -0.76286279 0.45515795 Cu 7.36800217 16.64074838 1.84271457 0.23112813 0.60659880 0.61250889 Cu 11.05575896 14.75001823 0.00585240 0.08018486 -0.23072226 -0.65680961 Cu 12.95410426 16.62209921 0.03484833 -0.28644152 0.44202045 -0.59643733 Cu 12.93657932 14.76177052 1.86225279 -0.17657545 -0.56121908 0.76375272 Cu 11.05784305 16.63252942 1.82019083 0.39544498 0.46928689 0.72436385 Cu 14.76393717 14.77946140 0.03115436 -0.47756157 -0.66385193 -0.92184071 Cu 16.58167449 16.63818959 0.01881893 0.35018288 0.35194408 -0.33948398 Cu 16.58705129 14.77677746 1.84299984 0.87915168 -0.57278369 0.70906510 Cu 14.75408675 16.62038728 1.86549909 -0.37702175 0.76363844 0.72050193 Cu 0.01840618 0.01089979 3.68910844 -0.52300833 -0.57132252 0.15776108 Cu 1.81658340 1.85536616 3.72568005 1.13280203 0.55272055 -0.24584915 Cu 1.87535663 0.01758187 5.55282957 0.45017222 -0.53953142 -0.17973084 Cu 0.00802501 1.88148077 5.53274015 -0.74302139 0.33482747 0.26207921 Cu 3.72334853 0.00367911 3.66652477 -0.22313327 -0.50059421 0.42227774 Cu 5.56125975 1.83324258 3.72604067 0.04703570 1.01963869 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1.83166147 11.04092514 5.53484707 1.04360164 0.30086408 -0.05213745 Cu 0.02388519 12.94647072 5.56310722 -0.49383791 -0.38680159 -0.16647484 Cu 3.72177987 11.06723051 3.65876401 -0.27415988 -0.04192241 0.48757753 Cu 5.50688317 12.91224712 3.66269633 0.31955892 0.11348683 0.51494587 Cu 5.52337942 11.03898476 5.56924042 0.29369824 0.18235594 -0.36245576 Cu 3.68335090 12.89423079 5.56538511 0.23287731 -0.06719061 -0.29000388 Cu 7.35391902 11.09784595 3.66821671 0.25726993 -0.37196941 0.58677508 Cu 9.22699416 12.92319544 3.67889287 -0.15943729 -0.21359530 0.34010806 Cu 9.22957892 11.09185520 5.56792041 -0.24043131 -0.01485180 -0.38138830 Cu 7.35684845 12.90456377 5.56699200 0.29015379 0.09908933 -0.34227963 Cu 11.06564123 11.08659257 3.71732503 -0.02818936 -0.30732330 -0.58061751 Cu 12.90097291 12.92420125 3.71727605 0.22009426 -0.23307110 -0.41505976 Cu 12.89548861 11.05282191 5.50272577 0.42181029 0.00228134 0.45528353 Cu 11.12078013 12.90157954 5.51600044 -0.45023641 0.23992468 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16.60044982 -0.14710060 0.61701178 0.83296426 Cu 11.04369655 0.01545857 14.77707561 0.21182805 -0.67062517 -0.23224861 Cu 12.94579512 1.84474360 14.78162436 -0.30665047 0.68679491 -0.66930319 Cu 12.95404665 0.01086700 16.64179854 -0.30938729 -0.55986091 0.37501026 Cu 11.06028234 1.83891362 16.60990082 0.06561382 0.66256208 0.63319310 Cu 14.79806825 0.01769119 14.79801143 -0.84873755 -1.04105569 -0.66022094 Cu 16.57775440 1.81013378 14.76199532 0.88749504 1.08181176 -0.44566309 Cu 16.63354597 0.02367956 16.58951634 0.41312561 -0.39419220 0.54681784 Cu 14.74484344 1.84215614 16.62441222 -0.19641537 0.53629433 0.80601856 Cu 0.02955074 3.70221511 14.75786386 -0.83507117 -0.14070178 -0.56732556 Cu 1.86387068 5.51491589 14.75921908 0.42738067 0.44081408 -0.58407210 Cu 1.81364301 3.68899730 16.58157172 0.80312208 -0.17786993 0.87462751 Cu 0.01286087 5.50632148 16.61929713 -0.56005410 0.23682258 0.42998943 Cu 3.66896540 3.66466910 14.79330623 0.43744719 0.24173916 -0.75100728 Cu 5.56073396 5.55757543 14.73995718 -0.15367018 -0.23699368 -0.33474314 Cu 5.53012787 3.71450959 16.59567151 0.06244569 0.05964671 0.50945750 Cu 3.66539811 5.53750609 16.61346101 0.37548118 -0.00849606 0.48854206 Cu 7.37214323 3.66287427 14.73297808 0.21924170 0.55850743 -0.24157935 Cu 9.26266216 5.51352475 14.77763753 -0.16690522 0.30649934 -1.03764770 Cu 9.20708309 3.73114402 16.61679906 0.03815126 -0.31830977 0.51774270 Cu 7.40457262 5.55610785 16.58944455 -0.20769708 -0.03246275 0.40563966 Cu 11.11548106 3.71620050 14.79778499 -0.31144591 -0.35926912 -1.07030429 Cu 12.94175139 5.52080119 14.76016519 -0.24997244 0.47063897 -0.47654477 Cu 12.95215289 3.66064805 16.62709653 -0.28877840 0.21751342 0.60053825 Cu 11.06127656 5.50140769 16.61271388 0.29408000 0.45113610 0.62170171 Cu 14.75689107 3.72483614 14.75070447 -0.40003709 -0.39157671 -0.61743342 Cu 16.57714402 5.54754056 14.74691173 0.83141650 -0.11272447 -0.42867442 Cu 16.59241337 3.64904108 16.62726664 0.49954933 0.18165466 0.31298917 Cu 14.75332520 5.51399671 16.62660376 -0.52983123 0.25549930 0.60401730 Cu 0.02672085 7.41987732 14.79427843 -0.71818602 -0.47114135 -0.64398477 Cu 1.83708750 9.23777962 14.75145099 1.26380754 -0.01050831 -0.22889157 Cu 1.85469518 7.36759982 16.62197678 0.45499535 0.15048976 0.54074985 Cu 0.02170727 9.25897125 16.61066337 -0.43266761 0.14147229 0.50481810 Cu 3.71413474 7.35821648 14.76448353 0.02670325 0.38210853 -0.59482626 Cu 5.55209215 9.25038659 14.77195864 -0.33527570 0.02017343 -1.08066098 Cu 5.55939931 7.40826476 16.62446701 -0.20204974 -0.48804354 0.46895712 Cu 3.72568955 9.19541752 16.60507493 -0.29464036 0.15085393 0.43298601 Cu 7.36408566 7.41198032 14.75829506 0.23983432 -0.39098348 -0.73737764 Cu 9.23096974 9.20459664 14.74647373 -0.02796308 0.18962951 -0.63860333 Cu 9.21429385 7.41428741 16.57773540 0.23639278 -0.26222647 0.55963671 Cu 7.35650590 9.19190829 16.60708572 0.15902622 0.37105072 0.65599476 Cu 11.09755805 7.38974032 14.74705085 -0.22926397 -0.45488648 -0.73514301 Cu 12.89480217 9.20808080 14.75550871 0.22698061 0.48721981 -0.96346925 Cu 12.89135153 7.41807132 16.59813133 0.20943368 -0.47530554 0.59796820 Cu 11.08519632 9.20937903 16.57939175 -0.17228415 0.32689722 0.61971742 Cu 14.79570115 7.43519689 14.79838428 -0.94223068 -0.37722100 -0.89656410 Cu 16.63146773 9.23831648 14.75744993 0.70193901 0.00453658 -0.48873274 Cu 16.61948422 7.33931256 16.61413257 0.47705594 0.19296522 0.54021622 Cu 14.76746692 9.24917539 16.57911653 -0.41691152 -0.02505618 0.78781817 Cu 0.03006058 11.07609267 14.69755416 -0.88348935 0.07527629 0.18706959 Cu 1.81267733 12.92787250 14.75833232 1.17079095 0.15121766 -0.61179600 Cu 1.88089948 11.10268428 16.63774791 0.47498226 -0.34045101 0.51183243 Cu 0.03598062 12.87161621 16.62294375 -0.64573247 0.06034952 0.47106851 Cu 3.67279543 11.10906500 14.79847431 0.16889966 -0.29211862 -1.03515261 Cu 5.57789266 12.92902174 14.73327280 -0.22732128 -0.23258765 -0.29332205 Cu 5.51368392 11.07689003 16.58044769 0.23548707 0.21608479 0.67180458 Cu 3.69325071 12.95739450 16.62776180 0.02833804 -0.13345821 0.40573897 Cu 7.39087253 11.04839333 14.78282114 -0.11226533 0.15000427 -0.73008052 Cu 9.20888877 12.94380246 14.74707039 0.27894472 -0.37179171 -0.41829126 Cu 9.21091894 11.02600458 16.60140081 0.04876835 0.20642310 0.48825367 Cu 7.40070844 12.95169958 16.62565149 -0.13987103 -0.41626290 0.50203035 Cu 11.04684650 11.10032667 14.76422708 0.06430679 -0.25992486 -0.59864911 Cu 12.88490137 12.87796736 14.77893928 0.27367651 0.33740306 -0.93233307 Cu 12.93427779 11.07418916 16.61325250 -0.32084282 -0.11218780 0.46744208 Cu 11.04133084 12.93408164 16.64379986 0.22484062 -0.37260156 0.43978057 Cu 14.78249537 11.08948121 14.74862438 -0.60052721 -0.19014163 -0.74664644 Cu 16.57673571 12.95770922 14.76263661 0.84001789 -0.61856300 -0.46900646 Cu 16.62710901 11.07524286 16.62613351 0.39143956 0.13125583 0.36795814 Cu 14.73697679 12.92365338 16.59256417 -0.23395621 -0.11971933 0.75753421 Cu 0.00213198 14.78140102 14.80286107 -0.82349110 -0.42678073 -0.69361693 Cu 1.84277583 16.61308891 14.79715515 0.63371006 0.75553580 -0.71711968 Cu 1.82932028 14.79504639 16.62046452 0.65406370 -0.61187691 0.83227754 Cu 0.01066035 16.64458984 16.62326192 -0.40914334 0.39095162 0.38647427 Cu 3.71444898 14.78357630 14.79638693 -0.26210331 -0.88917857 -0.95691011 Cu 5.53595455 16.61946087 14.75283887 0.29374557 0.55268977 -0.43669008 Cu 5.51877402 14.75654761 16.60910966 0.40019272 -0.40891798 0.61236102 Cu 3.74321783 16.62960458 16.64292603 -0.15872973 0.49735011 0.45482323 Cu 7.39265263 14.73068698 14.74862409 -0.22327774 -0.01329353 -0.48054534 Cu 9.25663216 16.60074427 14.80015343 -0.19923718 0.53804672 -0.68066471 Cu 9.26477784 14.72583525 16.57723006 -0.12937710 0.03762442 0.74206798 Cu 7.39057489 16.61933498 16.60980311 -0.03016684 0.21712535 0.38941835 Cu 11.12372386 14.74034741 14.74785147 -0.32666585 -0.51936882 -0.57899527 Cu 12.93766349 16.62706308 14.80115305 -0.10170545 0.62081858 -0.98769176 Cu 12.94751613 14.76504465 16.59013587 -0.32448979 -0.69634371 0.72623578 Cu 11.11602024 16.62385047 16.59213507 -0.14782436 0.35334763 0.62684018 Cu 14.79491182 14.76483705 14.76880907 -1.33998228 -0.64203729 -0.76211975 Cu 16.59139275 16.59945624 14.74139684 0.59793829 0.75146394 -0.18491092 Cu 16.61218922 14.78540714 16.61792614 0.51302728 -0.37585062 0.64231046 Cu 14.72001039 16.61017043 16.62613292 -0.00797425 0.63260184 0.61494061