500 Lattice="17.948924468174305 0.0 0.0 0.0 17.948924468174305 0.0 0.0 0.0 17.948924468174305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1867.2339587426015 stress="-0.0038843744255078988 0.0003189950611600871 8.479803979795169e-05 0.0003189950611600871 -0.003780413905287512 0.00018939661360497219 8.479803979795169e-05 0.00018939661360497219 -0.0037996549466166947" free_energy=-1867.2339587426015 pbc="F F F" Cu 0.03439938 0.03149978 0.02234063 0.18337929 0.15125164 0.20828428 Cu 1.79853722 1.78970990 0.03203194 0.01708826 0.11997355 -0.11376206 Cu 1.78302520 0.02468645 1.82226960 0.14967966 -0.22577922 -0.06871261 Cu 0.03521285 1.80685138 1.81869169 -0.19948037 0.09507685 -0.03220136 Cu 3.57273711 0.02997033 0.00670546 0.00289494 0.16536674 0.26473766 Cu 5.32689504 1.76570488 0.00679440 0.17381226 0.06551487 -0.07853367 Cu 5.37024728 0.00479816 1.81918078 -0.00791786 0.00327469 -0.01917768 Cu 3.59095792 1.80589494 1.81638969 0.08343324 -0.23463493 -0.20935279 Cu 7.18037304 0.02307968 0.00554052 -0.06790629 0.23575679 0.23091246 Cu 8.95002426 1.81280505 0.03213587 0.15761963 -0.07914898 -0.17123306 Cu 8.92780417 0.02310728 1.77428503 0.09081021 -0.02459143 0.12354319 Cu 7.14881705 1.82419834 1.76259652 0.07211565 -0.42466955 0.02217724 Cu 10.74083627 0.00205499 0.01679577 0.03971306 0.34243854 0.31434606 Cu 12.56013621 1.82060714 0.00236205 -0.07287154 -0.18941241 -0.10527495 Cu 12.59982695 0.02686582 1.82257211 -0.28617063 -0.11888521 -0.07600555 Cu 10.79395040 1.79258743 1.81301782 -0.16518901 -0.27109624 -0.20474271 Cu 14.32734939 0.02126621 0.02736824 0.02948814 0.21014790 0.14157894 Cu 16.15924937 1.82178623 0.01956479 -0.15910265 0.00248357 0.24626619 Cu 16.15747980 0.00440596 1.76071794 -0.30363022 0.26210928 0.10862695 Cu 14.34038440 1.81329365 1.77900194 0.36552746 -0.30421978 -0.04746940 Cu 0.02836806 3.63578650 0.02547329 0.26710108 -0.00315122 0.23024140 Cu 1.82623682 5.37007561 0.02469045 -0.08101538 0.08220212 -0.04081122 Cu 1.81117369 3.59732000 1.81875726 -0.18269440 -0.03243135 -0.25659393 Cu 0.03588645 5.35426475 1.80828766 -0.11381405 0.21021174 -0.05513345 Cu 3.56882253 3.57352668 0.01038035 0.14015677 0.12234390 -0.04935472 Cu 5.35395731 5.41317633 0.01264594 0.07944829 -0.13962935 -0.07756548 Cu 5.40923437 3.57476112 1.76418560 -0.19261765 0.13994120 -0.11606496 Cu 3.61679025 5.35341192 1.81948621 -0.13511387 0.16858987 -0.25071064 Cu 7.20064819 3.61551891 0.01816080 -0.14647207 0.08821269 -0.18703324 Cu 8.95496330 5.41581644 0.03231511 0.16330117 -0.19326714 -0.18507680 Cu 8.97373380 3.58004958 1.78901330 0.04627369 0.10672630 -0.21512854 Cu 7.16183086 5.39559884 1.79690974 0.06545257 -0.00782443 -0.16585030 Cu 10.80408084 3.56327670 0.02798607 -0.30155544 0.12571040 -0.16637483 Cu 12.53306966 5.34978596 0.01704184 0.10683652 0.09491864 -0.21194953 Cu 12.58052933 3.56789066 1.77322097 -0.08414686 0.17371378 0.08296558 Cu 10.79725557 5.36847895 1.76019454 -0.21882226 0.04788547 0.02736414 Cu 14.40211253 3.55687753 0.00547838 -0.08967063 0.23810465 -0.09801519 Cu 16.16368449 5.37696673 0.02270063 -0.30100615 0.01907515 0.28095653 Cu 16.14011386 3.59952424 1.84615709 0.09324919 0.15105500 -0.10334595 Cu 14.33086926 5.35352240 1.78818164 0.35861256 0.19729100 -0.08737028 Cu 0.00137811 7.15062719 0.00749583 0.35574140 -0.03426031 0.34428540 Cu 1.83030742 8.94040277 0.00306283 -0.15603479 0.01585177 -0.02023041 Cu 1.82843192 7.20038785 1.80643000 -0.41419188 -0.27118843 -0.11450851 Cu 0.02695206 8.99282784 1.82099919 -0.09823140 -0.15795982 -0.14473394 Cu 3.58113916 7.14224237 0.01405860 0.10785052 0.10578427 -0.06117109 Cu 5.36735281 8.94995059 0.02389309 0.02598833 0.04646582 -0.11944877 Cu 5.36970428 7.20619350 1.77638277 0.07567677 -0.18480656 0.00018022 Cu 3.59846144 8.94298223 1.82467346 -0.01408834 0.10157647 -0.35805674 Cu 7.17677319 7.15344087 0.03672621 -0.06281384 0.10930538 -0.13300367 Cu 8.94133694 8.94139163 0.03485833 0.05484855 0.18011061 -0.13083219 Cu 9.01002308 7.15960650 1.76115671 -0.19518079 0.09838476 0.21067597 Cu 7.18818534 8.97427899 1.81885152 -0.02050808 0.11208271 -0.26008379 Cu 10.75158033 7.20373607 0.02364011 0.19706762 -0.03888744 -0.21215966 Cu 12.59653865 8.99940636 0.02900805 -0.14482666 0.01530988 -0.16833652 Cu 12.54911975 7.15194841 1.79965139 0.14927209 0.22034062 -0.21280772 Cu 10.79610526 8.98923196 1.76444215 -0.11544719 -0.00876544 0.00892253 Cu 14.32371006 7.21461250 0.02221578 0.11451140 -0.29070987 -0.17147699 Cu 16.16254804 8.93972249 0.00306981 -0.30217171 0.08558996 0.22851660 Cu 16.15648099 7.20306366 1.76457342 -0.00224356 -0.22735303 0.08522699 Cu 14.38582150 8.94373988 1.77223374 0.05052738 0.20633422 0.03023133 Cu 0.03036367 10.74251054 0.01129009 0.33331557 0.05228453 0.29463426 Cu 1.80969562 12.57156481 0.03116002 -0.10405207 -0.24820623 -0.21412946 Cu 1.82610161 10.74165157 1.81019626 -0.39298213 0.14587845 -0.30660383 Cu 0.02932835 12.59614810 1.78805313 -0.09247007 -0.33326412 0.01833897 Cu 3.55551887 10.74388080 0.02070548 0.27082545 0.06073452 -0.08579968 Cu 5.38319212 12.60003347 0.00188252 -0.03265419 -0.27455543 0.06384623 Cu 5.36041650 10.74096049 1.81468970 0.21156871 0.25472171 -0.36679628 Cu 3.55796938 12.55286812 1.78779100 0.39188750 -0.07745356 -0.15853664 Cu 7.15583388 10.75628660 0.00837657 0.02650831 0.05693719 0.07285912 Cu 8.98491226 12.56563142 0.03246142 -0.07553755 -0.07600684 -0.17220458 Cu 9.00288447 10.78871903 1.79032387 -0.19190892 -0.19298838 -0.14773552 Cu 7.20148557 12.57334522 1.81769030 -0.21127580 -0.21022118 -0.41996686 Cu 10.78896435 10.78416359 0.02117239 -0.08333422 -0.09310273 -0.10187907 Cu 12.51608752 12.56461078 0.05672333 0.15038348 -0.21088725 -0.16662463 Cu 12.58984533 10.73750170 1.81744420 -0.08378080 0.22383041 -0.20714592 Cu 10.75255582 12.57124508 1.79941765 0.11226572 -0.06953600 -0.05387975 Cu 14.37385640 10.82606029 0.03473445 0.00492487 -0.12436150 -0.13750862 Cu 16.16717319 12.59550904 0.00574368 -0.23588259 -0.08616363 0.27917713 Cu 16.14551714 10.76098176 1.80422075 0.11417466 0.01563444 -0.10452454 Cu 14.38130682 12.57794206 1.79424042 0.02331905 -0.10320031 -0.09577624 Cu 0.03155611 14.32608152 0.00268550 0.16855000 0.03660893 0.17788455 Cu 1.76610564 16.14099679 0.01126637 0.06735803 -0.19986147 0.14080839 Cu 1.81751240 14.34362581 1.77561690 -0.25408249 0.44566966 0.07558074 Cu 0.01873048 16.18175442 1.77396140 0.25811482 -0.30730320 0.14673389 Cu 3.55742104 14.34424051 0.02663381 0.27558335 0.15547751 -0.17905833 Cu 5.41609894 16.18026685 0.01863715 -0.10272581 -0.29139960 0.22614760 Cu 5.41340317 14.35901337 1.77950542 -0.25458830 0.28860278 -0.17039246 Cu 3.57234553 16.16335978 1.76453828 0.17998441 -0.01272451 0.12791415 Cu 7.16592319 14.38756500 0.01270640 0.16933504 -0.02959307 -0.10374024 Cu 9.00856782 16.18865383 0.02313825 -0.03221188 -0.36143624 0.30754386 Cu 8.95211233 14.33821752 1.82584058 0.13149856 0.47704217 -0.26700457 Cu 7.15952366 16.15052953 1.78815458 0.18887033 0.09853982 0.07150229 Cu 10.79480074 14.32848660 0.02464793 -0.15029728 0.25033360 -0.06922484 Cu 12.56805110 16.18612313 0.01387527 -0.11456795 -0.31296594 0.32703086 Cu 12.58238303 14.36335014 1.76684001 -0.15328401 0.29913488 0.07395639 Cu 10.74174654 16.14009764 1.82756737 0.10574578 0.01147661 -0.06721410 Cu 14.33107163 14.34701110 0.02500721 0.05466731 0.05422292 -0.21768590 Cu 16.13255385 16.17890726 0.00681558 -0.22832779 -0.23946226 0.23047638 Cu 16.14195588 14.35484584 1.79179655 0.18001583 0.09133050 -0.07508803 Cu 14.38320547 16.15360911 1.83051999 -0.14952832 0.17174866 -0.20600940 Cu 0.01915534 0.00669155 3.57304269 0.24085153 0.22757572 0.14281824 Cu 1.82867953 1.76736753 3.57846074 -0.39349213 0.08963116 0.27290545 Cu 1.82621567 0.00152186 5.40591920 -0.27366839 -0.20398274 -0.09867878 Cu 0.03068745 1.75965101 5.39554468 -0.10134480 0.13383392 -0.07837688 Cu 3.57508128 0.03138827 3.64640658 0.22527597 -0.25302319 -0.12979953 Cu 5.36085183 1.82000402 3.62127908 0.12819865 -0.30776935 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0.27069076 Cu 0.02092527 3.61582885 3.59398083 -0.20365789 -0.20534279 0.08152150 Cu 1.74772591 5.35482226 3.61677080 0.15358981 0.34488154 -0.18175738 Cu 1.76539165 3.61235226 5.36889295 -0.01562515 -0.27164955 0.20196786 Cu 0.01209863 5.37136656 5.37356122 -0.18113833 0.20955403 0.18070701 Cu 3.59380195 3.60957920 3.60332241 -0.00119276 -0.14716166 -0.00775070 Cu 5.39538958 5.37930359 3.57090068 0.07927677 0.08274160 0.16172605 Cu 5.37350152 3.60891087 5.35538154 0.13452950 -0.07076204 0.20263891 Cu 3.58197236 5.37307608 5.35928987 0.17169241 0.16449705 0.24712077 Cu 7.20242969 3.57169925 3.56254287 -0.20494433 0.12395690 0.14634935 Cu 8.94381436 5.35593024 3.58216985 0.11595908 0.36555538 0.07470907 Cu 8.94960646 3.55896043 5.37798315 0.19885303 0.28119995 0.10551142 Cu 7.18359852 5.35854036 5.41839072 0.04603468 0.16335231 -0.26439912 Cu 10.74090950 3.62243222 3.56323975 0.25694913 -0.10835672 0.17501427 Cu 12.56357002 5.41853721 3.60857877 0.06062378 -0.28305438 -0.11996797 Cu 12.56246211 3.59917578 5.37192875 -0.20260185 0.09546828 0.09610327 Cu 10.76930663 5.41818992 5.35126249 -0.08172734 -0.21191037 0.18161774 Cu 14.35942058 3.55447346 3.61927600 0.18092957 0.46878274 -0.14597175 Cu 16.12607779 5.43226887 3.61779068 0.06542221 -0.09364571 -0.02852292 Cu 16.13579801 3.63062077 5.39960308 0.11055956 -0.09169027 -0.08511297 Cu 14.36011714 5.38459757 5.40357434 0.11388367 0.13379104 -0.15315852 Cu 0.01403104 7.16424232 3.61923721 0.00166744 0.02387699 -0.06335922 Cu 1.78444790 9.00455569 3.58791849 -0.16522178 -0.31687530 0.17807648 Cu 1.82653230 7.15926694 5.41224225 -0.32588078 0.12469839 -0.15386240 Cu 0.02070805 8.92675945 5.38118432 -0.03650746 0.14743241 -0.01420392 Cu 3.58452975 7.15555357 3.61130995 0.07528156 0.08836638 0.00320024 Cu 5.36459318 9.00222690 3.60172115 0.14910174 -0.18245566 0.08253721 Cu 5.40544639 7.17843467 5.39701305 -0.15809271 -0.10028184 -0.06835311 Cu 3.55492344 9.00136678 5.36808589 0.24528166 -0.15219416 0.12273761 Cu 7.15508148 7.21515679 3.57336685 0.20615677 -0.22540857 0.19275567 Cu 8.99330215 8.95380552 3.58123922 -0.07153234 0.15735623 0.07162875 Cu 9.00325456 7.20528488 5.40317347 -0.25914499 -0.15999911 -0.23231635 Cu 7.15158696 8.97804022 5.40591726 0.30047624 -0.02834125 -0.15461150 Cu 10.79587510 7.20455677 3.55885290 -0.24261098 -0.07696549 0.13834627 Cu 12.57863843 9.00091842 3.63623973 -0.14075692 -0.14323905 -0.27628985 Cu 12.55999346 7.18566835 5.35555225 0.05869785 0.07826338 0.36314565 Cu 10.73885278 8.99337722 5.41391348 0.20005821 -0.05710010 -0.07553626 Cu 14.38135074 7.20072741 3.61042792 0.05143659 -0.07228947 -0.15684488 Cu 16.16343298 8.96217481 3.56063479 0.02885915 0.05915697 0.19424822 Cu 16.13319269 7.21176606 5.37535264 0.05229185 0.01536662 0.12246232 Cu 14.34995414 9.00722091 5.38539616 0.20997531 -0.17489079 0.09685176 Cu 0.03260809 10.76082264 3.58584215 -0.14043627 0.15428017 0.18954739 Cu 1.80071994 12.57693684 3.58493096 -0.14152931 -0.22215435 0.12118290 Cu 1.79002242 10.76894745 5.40441262 -0.16735523 0.11156526 -0.20742127 Cu 0.02194804 12.59704483 5.42008206 -0.10588566 -0.16873430 -0.22629287 Cu 3.58905284 10.74876299 3.58124610 0.07755415 0.30920653 0.23700878 Cu 5.39677668 12.59940672 3.55596047 -0.14124588 -0.41542295 0.16920889 Cu 5.41017704 10.75206295 5.40259727 -0.26504718 0.12204576 -0.16640880 Cu 3.62009276 12.57728527 5.40935175 -0.03716732 -0.15479304 -0.20885045 Cu 7.21295702 10.79930644 3.61881148 -0.12059207 -0.27729824 -0.14953095 Cu 8.95009565 12.59082121 3.60247517 0.15884389 -0.18314571 -0.00611162 Cu 9.00493476 10.79510352 5.40991556 -0.14769398 -0.20541368 -0.22106525 Cu 7.14535524 12.54831967 5.37570007 0.22917455 0.18423183 0.06140412 Cu 10.77615273 10.78716688 3.59993679 -0.09929751 -0.08338445 -0.07303488 Cu 12.56284631 12.58486738 3.58106255 0.13528251 -0.14707858 -0.12029339 Cu 12.53818846 10.79117369 5.36313568 0.00726049 -0.08319649 0.21714027 Cu 10.76004379 12.60519895 5.35185661 0.13777004 -0.26796764 0.18263207 Cu 14.37232086 10.76437582 3.57884573 0.24334904 0.05888428 0.05094651 Cu 16.13517973 12.58830349 3.55498186 0.08679311 -0.15991206 0.27581402 Cu 16.14630965 10.76752089 5.40316634 0.07977505 0.06547723 -0.16805987 Cu 14.33397254 12.52216806 5.38979962 0.44772401 0.26484367 -0.15742879 Cu 0.05527816 14.35775123 3.57110773 -0.19550579 0.11703806 0.08946283 Cu 1.78974011 16.17451283 3.62510794 0.15547112 -0.07232779 -0.09454787 Cu 1.81219242 14.33813136 5.36027800 -0.08974453 0.37605056 0.12071233 Cu 0.02949167 16.15137764 5.35934803 0.20564980 -0.29570157 0.03848086 Cu 3.62587060 14.33257653 3.57038208 -0.15099183 0.51652372 0.07314543 Cu 5.41757097 16.17441081 3.61224216 -0.21643759 0.02943630 -0.06943511 Cu 5.39842674 14.37666590 5.35290108 -0.14914356 0.12430718 0.33287546 Cu 3.60923262 16.15421897 5.41672842 -0.04270154 -0.03480400 -0.15309035 Cu 7.14748299 14.37318348 3.61665179 0.29097073 0.27101197 -0.12515238 Cu 8.96248293 16.18326760 3.60920299 0.03105605 -0.15673844 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14.39336377 -0.20217122 0.06637631 -0.21843420 Cu 1.75924213 16.15811817 14.38602255 0.16266127 0.06108656 -0.12124781 Cu 1.76336996 14.32835995 16.12597752 0.14342244 0.09412128 0.26191972 Cu 0.01756657 16.15887797 16.13987305 0.13100520 -0.19629108 -0.12296080 Cu 3.56378075 14.34597996 14.37132756 0.29808960 0.33342202 0.16205542 Cu 5.40153266 16.13248040 14.32772811 -0.06114696 0.05822614 0.08192780 Cu 5.43678472 14.35719310 16.12471689 -0.22635885 0.10793458 0.19129516 Cu 3.60062051 16.18305772 16.14825113 0.07326535 -0.38534324 -0.34177093 Cu 7.19539452 14.37483836 14.41397284 0.04153730 0.09731388 -0.31915481 Cu 8.98173060 16.16393100 14.35802909 0.02801063 -0.00527852 0.06330222 Cu 8.99166537 14.35007106 16.12620057 0.01210349 0.08149928 0.24280151 Cu 7.20161422 16.15530780 16.12160743 -0.01335893 -0.19216697 -0.18486914 Cu 10.77344114 14.33234954 14.40835245 0.10635299 0.32223057 -0.17777703 Cu 12.59179637 16.16810441 14.33348394 -0.20791397 -0.02905444 0.02893410 Cu 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