864 Lattice="21.45347810839537 0.0 0.0 0.0 21.45347810839537 0.0 0.0 0.0 21.45347810839537" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2815.9374004083334 pbc="F F F" Cu 0.00109224 -0.01218401 -0.02701515 29 0.55360624 0.63566404 0.57675208 Cu 1.76200762 1.79968180 0.01002614 29 0.08650362 -0.19102712 0.00906421 Cu 1.73556851 -0.03308008 1.75264525 29 0.21462633 0.19006575 0.10870583 Cu 0.02806578 1.76749700 1.82218494 29 -0.11055839 -0.06429144 -0.21320129 Cu 3.55305602 -0.03565631 -0.02154051 29 0.01645093 0.55885885 0.52676404 Cu 5.36831603 1.80147556 -0.01844375 29 -0.12176395 -0.08653592 0.17820806 Cu 5.37289580 -0.03517915 1.80223361 29 -0.30592149 0.21940694 -0.21790951 Cu 3.57215166 1.81231779 1.80290937 29 -0.04225102 -0.37032178 -0.23693045 Cu 7.11911650 -0.00010681 -0.00491189 29 0.09824910 0.34324915 0.36712920 Cu 8.93319041 1.80645081 0.01316903 29 0.12001038 -0.24822876 -0.14020832 Cu 8.97549671 -0.03325508 1.75763849 29 -0.13080152 0.20663178 0.08910841 Cu 7.16863083 1.80631225 1.76478762 29 -0.14932283 -0.24445701 -0.08107896 Cu 10.75140098 0.03449606 0.01542708 29 -0.01463334 0.24860558 0.24298978 Cu 12.53137006 1.76682835 0.00553288 29 -0.09344367 0.17893972 -0.10100214 Cu 12.55907490 -0.03315288 1.77095641 29 -0.16876043 0.08608337 0.25152648 Cu 10.75869553 1.81170039 1.81060774 29 -0.13845341 -0.43632539 -0.24819942 Cu 14.28039511 -0.00251801 0.00326864 29 0.23341391 0.27523075 0.18142156 Cu 16.12405815 1.79776231 -0.01638365 29 -0.14951899 -0.22282137 0.15026507 Cu 16.06050363 0.01077384 1.81106111 29 0.10961430 -0.00550716 -0.23732328 Cu 14.28674061 1.77990402 1.76947663 29 0.27135122 -0.12603706 0.07423059 Cu 17.84725997 -0.02382908 0.00787482 29 0.09695809 0.50239929 0.51723525 Cu 19.68366119 1.81654687 0.01708024 29 -0.46899192 -0.10466626 0.33755177 Cu 19.68202772 0.03135089 1.82121988 29 -0.39327664 0.21611517 -0.16916132 Cu 17.90622233 1.77683122 1.79477284 29 -0.11300118 -0.09761190 -0.20392418 Cu -0.02744345 3.56339808 0.01282683 29 0.29408832 -0.04230199 0.25572840 Cu 1.82349685 5.34056051 -0.03089445 29 -0.25829474 0.23778876 0.07702815 Cu 1.75879004 3.58780843 1.75367632 29 0.23322759 -0.10184435 0.17145750 Cu 0.02127562 5.33322911 1.78262747 29 -0.10736925 0.30689265 -0.08375806 Cu 3.56300078 3.60110973 0.01213713 29 0.15954255 -0.14561831 -0.06645421 Cu 5.38255612 5.39905703 -0.01064417 29 -0.02275403 -0.18946378 -0.02158303 Cu 5.36264473 3.59613284 1.78567377 29 -0.07467308 -0.16937884 -0.17816428 Cu 3.59837385 5.39852322 1.80668804 29 -0.23252888 -0.28605975 -0.13683533 Cu 7.18074258 3.60008614 0.00549779 29 -0.14087854 -0.03301586 -0.18502711 Cu 8.97487378 5.39268717 0.00173104 29 0.00879074 -0.15676162 -0.12452018 Cu 8.97075507 3.54502968 1.75879042 29 -0.07873775 0.13664349 0.28169615 Cu 7.20790453 5.32944449 1.78799078 29 -0.27790602 0.08716664 -0.20995999 Cu 10.73421997 3.59791493 0.02278714 29 0.11717282 -0.19817568 -0.18768756 Cu 12.53396201 5.33050729 0.02317704 29 0.02108189 0.07889389 -0.11274626 Cu 12.55245627 3.54061411 1.80213402 29 -0.09073984 0.26993278 -0.27318475 Cu 10.75211910 5.35024587 1.81031255 29 -0.15125435 0.08143573 -0.11987354 Cu 14.33772578 3.55636141 -0.00867355 29 -0.11495628 -0.11641715 -0.08968086 Cu 16.07377600 5.32415151 0.03288847 29 0.24320916 0.09421617 -0.30398130 Cu 16.10909489 3.57297925 1.81801513 29 -0.14990336 -0.19860903 -0.29227600 Cu 14.32943525 5.32890940 1.77481917 29 -0.26679859 0.21204610 0.30102949 Cu 17.84908921 3.54920967 -0.02933156 29 0.30383684 0.17736222 0.19001869 Cu 19.69204375 5.35673837 0.01048119 29 -0.37904068 -0.12233547 0.42416784 Cu 19.67991960 3.54998214 1.79784582 29 -0.11047010 0.11516304 -0.12632568 Cu 17.86808681 5.37670970 1.79041821 29 0.20405787 -0.19962823 -0.18155980 Cu -0.01473218 7.16581305 -0.00802651 29 0.45084810 -0.07802846 0.40515320 Cu 1.79190847 8.95420893 0.00266746 29 -0.03297981 -0.17610014 0.03718150 Cu 1.78466584 7.13883997 1.78516165 29 -0.21538084 0.16086604 -0.05105378 Cu -0.02465027 8.96427831 1.77182728 29 0.17723894 -0.16924656 0.11525730 Cu 3.59404319 7.16233535 0.01141935 29 -0.21517359 -0.08688376 -0.15033967 Cu 5.33324398 8.92247140 -0.00754946 29 0.29058507 0.03621764 -0.05405317 Cu 5.35965061 7.11592672 1.80683135 29 0.14004638 0.20363832 -0.15850949 Cu 3.60055387 8.90871180 1.80499341 29 -0.29443760 0.12561358 -0.11978543 Cu 7.18450487 7.12910130 0.01013009 29 -0.25191115 0.09074500 -0.09777613 Cu 8.91854101 8.91355256 -0.01800978 29 0.13323690 0.11864437 0.05375653 Cu 8.92008719 7.13927723 1.78991626 29 0.33627150 0.07463553 0.10084430 Cu 7.12171296 8.90238278 1.81572910 29 0.09339523 0.24632683 -0.25743761 Cu 10.74470735 7.14645875 0.03487760 29 -0.12176557 0.04799991 -0.19837191 Cu 12.49223325 8.94934093 0.02367104 29 0.13138100 -0.02303839 -0.20832347 Cu 12.49474708 7.18244031 1.74639560 29 0.28657397 -0.24852761 0.26714926 Cu 10.68129734 8.97315550 1.81194011 29 0.17370599 -0.20297836 -0.31914554 Cu 14.33023449 7.12099523 -0.02309107 29 -0.15583002 0.19791541 0.01876412 Cu 16.10339144 8.96184843 -0.00708904 29 -0.00568391 -0.14474410 -0.04033134 Cu 16.08515137 7.14491544 1.76070489 29 0.00385825 0.11570703 0.14416980 Cu 14.28270883 8.95439983 1.79624877 29 0.28929358 -0.17369555 -0.21755528 Cu 17.90739504 7.10107203 0.00206446 29 -0.13475940 0.18991611 -0.07900561 Cu 19.62999429 8.97696388 -0.00855353 29 -0.27006388 -0.12318354 0.24599695 Cu 19.65159241 7.18010108 1.80457732 29 0.21419562 -0.18260713 -0.25709840 Cu 17.87872249 8.92199708 1.78027870 29 0.04844310 0.18055769 -0.13021326 Cu -0.00660508 10.69885445 -0.00389238 29 0.22326835 0.02639591 0.20614379 Cu 1.74473777 12.48827603 0.00520661 29 0.16690768 0.20817037 -0.11103089 Cu 1.79586998 10.74239748 1.76452550 29 -0.16488512 -0.26694267 0.16082720 Cu -0.00779330 12.49130528 1.76584438 29 -0.19921678 -0.01662974 0.05789372 Cu 3.55006774 10.72515730 0.03268152 29 0.06058547 -0.05072305 -0.30322755 Cu 5.33020180 12.50929734 -0.01129230 29 0.21973554 -0.09326645 -0.06948689 Cu 5.34519665 10.70217316 1.76413502 29 0.21031370 0.07231690 0.13545374 Cu 3.60578225 12.49251980 1.78889613 29 -0.30935161 0.26432508 -0.02116402 Cu 7.18427635 10.73934330 0.02858736 29 -0.34046004 -0.26824809 -0.28792746 Cu 8.92660690 12.50447930 -0.02457235 29 0.24968988 0.18311343 -0.02113980 Cu 8.91629872 10.74028825 1.76902580 29 0.17559123 -0.12130577 0.11190629 Cu 7.14908547 12.48735302 1.75898777 29 -0.23260339 0.29782041 0.14385111 Cu 10.75419893 10.73061017 0.02552046 29 -0.27415429 -0.14506135 -0.22422022 Cu 12.49966883 12.47924617 0.00467885 29 0.14455750 0.23042718 -0.19071911 Cu 12.54705741 10.72234907 1.79610722 29 -0.23695386 -0.04269984 -0.22017916 Cu 10.74622227 12.47929688 1.77563722 29 -0.26872073 0.13965276 0.07831376 Cu 14.28777342 10.73090291 -0.02827527 29 0.12569416 -0.12456325 0.00252464 Cu 16.07355251 12.50472151 0.03556203 29 0.16035912 0.00223226 -0.29811995 Cu 16.11907472 10.69151672 1.81128570 29 -0.19710104 0.15279442 -0.16061553 Cu 14.32971942 12.50180922 1.75698649 29 -0.09961956 0.04692092 0.17209360 Cu 17.86546440 10.75458504 -0.02273820 29 0.09695242 0.00325383 0.11730126 Cu 19.67762620 12.50962869 -0.02951174 29 -0.38619950 -0.09086760 0.40387373 Cu 19.68910366 10.71176626 1.77368542 29 -0.18556718 0.20431414 0.07498859 Cu 17.85687672 12.49878563 1.82185733 29 0.44688505 -0.01099108 -0.22239666 Cu -0.02591458 14.31579093 0.00370022 29 0.25486132 -0.14850921 0.22856248 Cu 1.75890891 16.05732236 -0.00054222 29 0.15413065 0.12137295 -0.12831524 Cu 1.75247059 14.27637643 1.78617900 29 0.29356049 -0.11971618 -0.26347703 Cu 0.03121808 16.07293537 1.75776432 29 -0.29509023 0.23790637 0.11886621 Cu 3.59743321 14.27131736 -0.00495625 29 -0.24009744 0.10437490 -0.07143213 Cu 5.39485745 16.12210476 -0.02947303 29 -0.21856271 -0.10383525 0.00234134 Cu 5.35538759 14.33748793 1.78276486 29 0.20513774 -0.22462641 -0.15956620 Cu 3.54217162 16.05773726 1.74814803 29 0.10398183 0.36020662 0.04744902 Cu 7.13411741 14.27684066 0.00502934 29 0.05499694 0.11438980 -0.05032942 Cu 8.95407805 16.07310460 0.01816419 29 -0.20311603 0.16909525 -0.26732394 Cu 8.95339600 14.30208067 1.79475279 29 -0.29521091 -0.14259499 -0.23104493 Cu 7.17237389 16.10038110 1.78687985 29 -0.06846536 -0.22158042 -0.10960016 Cu 10.74170503 14.33552716 0.02971685 29 -0.06970889 -0.35936782 -0.34482627 Cu 12.55025819 16.07556045 0.00346216 29 -0.19827664 0.25083106 -0.12528500 Cu 12.50182729 14.27723813 1.76021299 29 0.22588079 0.10817931 0.23698543 Cu 10.69580582 16.05892116 1.76593352 29 0.39490448 0.48411683 0.12851624 Cu 14.29463334 14.32519988 0.02182571 29 0.07491640 -0.23816083 -0.21370871 Cu 16.10094227 16.07561501 0.02892186 29 0.22738323 0.06408014 -0.17435633 Cu 16.10738799 14.27063457 1.78229735 29 0.04490377 0.31232919 0.10399963 Cu 14.32016835 16.11348524 1.75148866 29 -0.16453999 -0.23218856 0.13404984 Cu 17.90043068 14.29157629 0.03923333 29 0.00877232 0.04401898 -0.09072666 Cu 19.66547215 16.14612821 -0.01807731 29 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Cu -0.00046920 0.00202179 3.61097169 29 0.31208023 0.32927929 -0.09888345 Cu 1.79656720 1.81261286 3.58989279 29 -0.22086117 -0.11300760 -0.16346847 Cu 1.74306709 0.05018034 5.37843785 29 0.22235254 -0.17485437 0.15987199 Cu 0.03104275 1.80606340 5.38727211 29 -0.16482668 -0.01980025 -0.09293633 Cu 3.51954264 0.01523653 3.60806915 29 0.12673867 -0.11783855 -0.24583557 Cu 5.37967173 1.76710735 3.57836969 29 -0.15096030 0.12322190 -0.11547584 Cu 5.37787046 0.00803539 5.37298622 29 -0.06170353 -0.12775321 -0.24380327 Cu 3.60019558 1.79714423 5.34702624 29 -0.21505691 -0.18991848 0.23025831 Cu 7.12847655 0.03452842 3.51997253 29 0.18990934 -0.26050613 0.21048502 Cu 8.91180117 1.75216293 3.60744190 29 0.20234485 0.21275045 -0.52694611 Cu 8.92561517 0.01445405 5.33553389 29 0.02120978 -0.27349416 0.11754793 Cu 7.18056945 1.82339841 5.38616312 29 -0.21632786 -0.27743036 -0.19841606 Cu 10.75328001 0.02515302 3.57452893 29 0.00563341 -0.15160477 -0.09586554 Cu 12.52286282 1.81093476 3.58552340 29 0.07440511 -0.58782434 0.09959054 Cu 12.55379878 -0.03496361 5.34380779 29 -0.09419695 0.13835029 0.08630192 Cu 10.69392396 1.78477256 5.35835347 29 0.30568906 0.03834416 0.07810879 Cu 14.33271701 -0.02344220 3.61116215 29 -0.08733987 0.13987891 -0.10758195 Cu 16.09742155 1.79689381 3.55847440 29 -0.04727410 -0.29146358 0.12252240 Cu 16.10697862 -0.00133082 5.38796036 29 -0.01613551 -0.06574081 -0.24172920 Cu 14.32233888 1.81901715 5.39544781 29 -0.10191336 -0.41126102 -0.10548875 Cu 17.85417471 -0.01735711 3.56494762 29 0.19884830 0.09275772 0.14985915 Cu 19.69759229 1.75955840 3.55566959 29 -0.17357489 0.11600516 0.33359731 Cu 19.69681832 -0.03244349 5.40083885 29 -0.48808671 0.51940504 -0.08893609 Cu 17.88946521 1.79617808 5.38059493 29 0.20730765 -0.34058448 -0.35118054 Cu -0.01481451 3.57598789 3.55778082 29 0.03247613 0.00148457 0.19825203 Cu 1.80467276 5.34521201 3.56023190 29 -0.23380868 0.15929159 0.11834593 Cu 1.80307910 3.61283035 5.38938656 29 -0.22649163 -0.18147934 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