500 Lattice="17.895191581719068 0.0 0.0 0.0 17.895191581719068 0.0 0.0 0.0 17.895191581719068" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1616.9082297647624 stress="-0.0080343436335719 -0.00013099672390711725 -0.00028251517993592673 -0.00013099672390711725 -0.008165377539855585 -0.00031317761224858125 -0.00028251517993592673 -0.00031317761224858125 -0.008247331930404143" free_energy=-1616.9082297647624 pbc="F F F" Cu 0.03025164 0.03082336 0.00891295 0.39313488 0.34929512 0.42312463 Cu 1.76334022 1.75419279 0.03129203 0.10349698 0.11760134 -0.19086802 Cu 1.75429957 0.04465116 1.81153308 0.07059125 -0.23409333 -0.12827505 Cu 0.04024186 1.78392472 1.76132216 -0.36338690 -0.09889701 0.12632760 Cu 3.53396159 0.03132154 0.01795449 0.11081786 0.26673502 0.35841822 Cu 5.39337552 1.74638919 0.02348942 -0.16865652 0.08212286 -0.08715202 Cu 5.40053291 0.02408409 1.78965440 -0.22024043 -0.19649845 -0.05642124 Cu 3.58063065 1.81383232 1.82435572 -0.10171021 -0.37166158 -0.53020159 Cu 7.19306030 0.02082600 0.03215840 -0.07898883 0.15828812 0.13995671 Cu 8.93653175 1.79175786 0.03516975 0.07333725 -0.07190769 -0.29862481 Cu 8.95265065 0.00762330 1.76013190 0.07816576 -0.10054822 0.23124986 Cu 7.17834901 1.79652584 1.76757066 -0.09447859 -0.18648477 0.13889131 Cu 10.74292307 0.02643716 0.02207296 -0.02572389 0.23327340 0.17847047 Cu 12.55233064 1.79118266 0.01528910 -0.07436463 -0.20110419 -0.12309404 Cu 12.49310027 0.02880392 1.79570345 0.22302475 -0.12597351 -0.11226628 Cu 10.71523179 1.79673406 1.75608775 0.12394887 -0.28364703 0.22569186 Cu 14.37718600 0.01042348 0.03377689 -0.13250334 0.38428620 0.38256131 Cu 16.09994160 1.80066332 0.01412794 -0.36470640 -0.04946817 0.42627540 Cu 16.09478015 0.00500093 1.81818503 -0.34197932 0.41611895 0.00188829 Cu 14.31827964 1.78572279 1.79018542 0.24352046 -0.21946492 -0.14580577 Cu 0.02778091 3.57276787 0.03401393 0.08436040 -0.01016072 0.08384437 Cu 1.74634118 5.34542812 0.02661369 0.22507991 0.13839007 -0.07888508 Cu 1.74285405 3.57346447 1.78088169 0.28701346 0.08664069 -0.07932326 Cu 0.01167932 5.36747975 1.79589417 -0.14806127 0.06816594 0.00055882 Cu 3.59091846 3.55662704 0.00033608 -0.10332190 0.07061685 0.01823644 Cu 5.34070297 5.40164561 0.02460149 0.16579685 -0.10938568 -0.13855152 Cu 5.36135454 3.58780420 1.79797914 0.12367830 -0.07601860 -0.43575282 Cu 3.60139187 5.38297939 1.82151935 -0.29824222 -0.09488501 -0.47411565 Cu 7.18268049 3.54610286 0.02371110 -0.18489580 0.31821965 -0.15228678 Cu 8.97802070 5.34470050 0.02713244 -0.14413058 0.24299169 -0.16750654 Cu 8.97356684 3.61246139 1.80631684 -0.19993494 -0.26120822 -0.20398507 Cu 7.15319084 5.38950335 1.79624214 0.08047713 -0.19903822 -0.31438476 Cu 10.71935065 3.55331125 0.00825099 0.18254275 0.14473891 -0.18690049 Cu 12.55468713 5.38251552 0.02947037 -0.12157379 -0.13693145 -0.21052953 Cu 12.48705848 3.54774645 1.80830969 0.33887707 0.19767241 -0.32546333 Cu 10.76798190 5.37857025 1.78285240 -0.30847486 -0.10554747 -0.16994221 Cu 14.29441717 3.54849210 0.03471976 0.25716200 0.11669853 -0.15145384 Cu 16.10861308 5.33585144 0.02111429 -0.32116589 0.12235726 0.20793975 Cu 16.12268369 3.60116091 1.78900031 -0.03067225 -0.19928994 -0.08025176 Cu 14.36247138 5.40016480 1.72797722 -0.17361027 -0.23494267 0.29368082 Cu 0.01482703 7.15143797 0.01909701 0.25737976 0.04859431 0.26699003 Cu 1.81226338 8.92440876 0.04542369 -0.34477132 0.18961990 -0.22957396 Cu 1.77828038 7.17569188 1.76313463 -0.10672525 -0.24644945 0.20329075 Cu 0.01265954 8.92736657 1.82085747 -0.14375453 0.21910762 -0.21377224 Cu 3.54623608 7.19141516 0.02694230 0.14721601 -0.25400966 -0.16520448 Cu 5.38890835 8.91372490 0.01225674 -0.07922008 0.17369537 -0.14738972 Cu 5.37156174 7.17495768 1.80184988 0.05905557 -0.11636720 -0.19010320 Cu 3.60850055 8.94261690 1.82424559 -0.21856378 0.00589237 -0.27756588 Cu 7.19321577 7.17192375 0.00062011 -0.09300197 -0.12453655 -0.01140314 Cu 8.98009396 8.91731731 0.02708336 -0.05200148 0.22506624 -0.18906832 Cu 8.93484155 7.18494087 1.80570077 0.28739221 -0.23284443 -0.22050847 Cu 7.15339546 8.98286649 1.79659252 0.08815137 -0.31602166 -0.16380547 Cu 10.77251039 7.17145295 0.01282826 -0.20838932 -0.10046690 -0.12235830 Cu 12.50743437 8.93949868 0.02431423 0.18125429 0.14650189 -0.15012016 Cu 12.49422200 7.14136105 1.79830412 0.42562189 0.17123833 -0.11759656 Cu 10.76582660 8.98196207 1.80145861 -0.20373142 -0.36064383 -0.07695657 Cu 14.30286593 7.19232206 0.04002178 0.22441176 -0.10250913 -0.23568354 Cu 16.07175531 8.94026001 0.00565220 -0.25989887 0.10177353 0.32704469 Cu 16.12135124 7.15030005 1.79829508 -0.01421722 0.12899597 -0.11542104 Cu 14.32609066 8.97222762 1.79443075 0.06842267 -0.20493240 -0.11156533 Cu 0.03219928 10.74474846 0.01952833 0.33818910 -0.04258681 0.33842399 Cu 1.80330683 12.56902673 0.00397110 -0.20194293 -0.19822385 -0.10125934 Cu 1.80911370 10.73807416 1.79051225 -0.38552764 0.00987521 -0.09735752 Cu 0.03121862 12.54870438 1.78257020 -0.09410277 -0.11900533 -0.03818675 Cu 3.55769418 10.70339861 0.03608122 0.12721979 0.14304170 -0.23776723 Cu 5.33562135 12.55930883 0.03379071 0.16773649 -0.27750150 -0.27979055 Cu 5.38127586 10.70522659 1.79041870 -0.09513499 0.42236591 -0.18528421 Cu 3.54443564 12.52672564 1.77267078 0.32906018 -0.11491106 0.13804406 Cu 7.18966818 10.74026175 0.00472229 -0.17199902 -0.05977739 -0.07495643 Cu 8.92023425 12.49525746 0.02222261 0.14586732 0.32755570 -0.05999295 Cu 8.97218768 10.70134216 1.80343902 -0.09921928 0.28639074 -0.25397534 Cu 7.12677016 12.54149491 1.75701725 0.30668848 -0.13273628 0.11154370 Cu 10.75453720 10.75934147 0.00330736 -0.10040714 -0.05419053 -0.08228545 Cu 12.55311134 12.51221271 0.02360759 -0.13575332 0.26871924 -0.21355593 Cu 12.52096172 10.76466363 1.78620039 0.11139619 -0.16482493 -0.08443431 Cu 10.75166398 12.57827322 1.77925479 -0.23057980 -0.29617243 -0.20458100 Cu 14.29602072 10.76085612 0.02785069 0.23799988 -0.19114006 -0.17754617 Cu 16.10286041 12.49187666 0.03190558 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1.76364859 -0.19400451 -0.04888706 -0.01474852 Cu 10.70736645 14.32487382 0.00556396 0.14490700 0.04440385 -0.01558231 Cu 12.51852197 16.09494371 0.00122043 0.07080491 -0.34145984 0.30914322 Cu 12.53686202 14.32411232 1.80779965 -0.05073655 0.21108443 -0.42865482 Cu 10.73832181 16.13538021 1.75888298 0.08722549 -0.07445603 0.05478878 Cu 14.31566569 14.30157570 0.00171258 0.23350596 0.24250820 0.06520338 Cu 16.12327965 16.13784121 0.00699937 -0.66825987 -0.65926822 0.64726843 Cu 16.10447187 14.30667614 1.75485535 -0.08527722 0.20411282 0.03279013 Cu 14.31012129 16.07715066 1.80699322 0.23597148 0.09508283 -0.37516636 Cu 0.00062132 0.00608935 3.55184439 0.32754674 0.39675594 0.18650428 Cu 1.77797121 1.81722839 3.59651158 -0.11217874 -0.28561500 -0.00132629 Cu 1.78070740 0.03078337 5.39581916 -0.07478173 -0.11689237 -0.18175286 Cu 0.00017514 1.82281144 5.39476691 -0.13148109 -0.31570316 -0.16700280 Cu 3.55640043 0.03366382 3.57982606 0.01740984 -0.15046590 0.01816889 Cu 5.35167649 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5.33848618 3.55102922 0.32863704 0.15592747 0.18966018 Cu 12.55795572 3.54663807 5.36248545 -0.22764088 0.34946553 0.13369979 Cu 10.73177223 5.34778137 5.38806635 0.17984731 0.07333068 -0.09394517 Cu 14.29202261 3.58846274 3.54688101 0.36307702 -0.01107951 0.15780951 Cu 16.09206814 5.34698259 3.55042356 0.11587239 0.10360400 0.12644888 Cu 16.10249722 3.57148958 5.37486883 0.11819751 0.17071257 -0.17674208 Cu 14.31351676 5.39864024 5.35584487 0.18432994 -0.37979007 0.03438741 Cu 0.02254776 7.19098111 3.60586544 -0.15858795 -0.36265811 -0.17671665 Cu 1.76554738 8.95249231 3.60541736 0.06704132 0.04072413 -0.19928713 Cu 1.81041541 7.13722795 5.34192213 -0.18775638 0.19325220 0.25795059 Cu 0.00074713 8.91348603 5.33592069 -0.11003241 0.29404878 0.18533290 Cu 3.55228083 7.16730335 3.59366431 0.31861156 -0.12958688 -0.07066469 Cu 5.36471447 8.98338496 3.56771036 0.29672040 -0.37480481 0.22811938 Cu 5.38557836 7.13465337 5.39714411 -0.21874621 0.27453375 -0.44183461 Cu 3.61010396 8.95900899 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12.49172443 5.36563249 -0.10214109 0.25666326 0.05039257 Cu 14.30945475 10.77046694 3.61054060 0.10084272 -0.29704387 -0.30627918 Cu 16.10375759 12.50949579 3.61332945 0.11924631 0.25140693 -0.17876200 Cu 16.09652577 10.70832359 5.35607099 0.18050595 0.09088427 0.12890081 Cu 14.35041916 12.49401153 5.35901520 -0.12191450 0.41792126 0.13415700 Cu 0.03229415 14.29958240 3.60678679 -0.15452415 0.22538991 -0.18886921 Cu 1.79203650 16.12426037 3.59624125 -0.17035567 -0.04768754 -0.14654325 Cu 1.80974546 14.32028074 5.37407561 -0.20495450 0.13381729 0.09114669 Cu 0.03323176 16.09023177 5.34268026 0.19520291 -0.28855598 0.15432046 Cu 3.56849275 14.31288191 3.60177982 0.13367758 0.23489759 -0.17709392 Cu 5.35212094 16.08916726 3.54484914 0.09296671 0.12527941 0.20264060 Cu 5.37181121 14.30050901 5.36726115 -0.09329689 0.50128337 0.11951102 Cu 3.55253646 16.13958154 5.34352309 0.21650765 -0.04853434 0.14523917 Cu 7.13757864 14.33127979 3.56173357 0.18111881 0.05858356 0.08333712 Cu 8.92503599 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7.19101249 1.78955209 16.09279205 -0.10286531 -0.11833295 0.10957935 Cu 10.76602909 0.02897141 14.32460936 -0.07375523 -0.05808279 0.14703560 Cu 12.53930962 1.79552469 14.29353893 -0.09671078 -0.26537466 0.30491018 Cu 12.52844856 0.01194921 16.13523729 -0.06199577 0.38420724 -0.44380590 Cu 10.71099780 1.81948705 16.10394501 0.20473019 -0.25051693 0.05407898 Cu 14.33747443 0.01951104 14.32197071 -0.01040454 -0.09647753 0.14586472 Cu 16.07928530 1.73635031 14.30814391 0.14001933 0.11408025 0.30665573 Cu 16.14098192 0.03158295 16.14130100 -0.58588109 0.53152419 -0.57597598 Cu 14.30590948 1.72665063 16.12572328 0.20788100 0.16631422 -0.12401915 Cu 0.02348480 3.55301984 14.28554936 -0.12934097 0.16668488 0.35813133 Cu 1.78483483 5.39238781 14.28124585 -0.24176145 -0.32958338 0.53864604 Cu 1.80746341 3.61029532 16.07793601 -0.26945437 -0.20577736 0.07612856 Cu 0.01410360 5.36409053 16.13335992 0.36700377 -0.06957285 -0.45229036 Cu 3.56887696 3.57992885 14.28565637 0.11247603 -0.04790975 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0.00012783 Cu 12.55664931 8.93331547 14.28507661 -0.18572240 0.17916081 0.55923723 Cu 12.49400442 7.12731955 16.09856745 0.26032199 0.16422478 0.13548440 Cu 10.71996571 8.93750931 16.08788995 0.08239277 0.07623424 0.13276304 Cu 14.28365163 7.13040471 14.28047412 0.59556039 0.15147022 0.66560951 Cu 16.06906978 8.97398332 14.29691856 0.02897826 -0.12005872 0.21791433 Cu 16.10683236 7.17458549 16.08740896 -0.52919690 -0.04118740 -0.45836266 Cu 14.29154707 8.97977657 16.10568544 0.22886083 -0.23026647 -0.07876695 Cu 0.03162094 10.73780694 14.30206207 -0.20245800 -0.04880208 0.37784195 Cu 1.82181254 12.50468322 14.29063722 -0.47505489 0.16432296 0.48916134 Cu 1.80669453 10.70373904 16.09333353 -0.18760820 0.07516049 0.05835828 Cu 0.02815211 12.51439893 16.13242307 0.40600938 0.00197147 -0.44407133 Cu 3.55949683 10.71684922 14.28980252 0.19957592 0.00769426 0.31619185 Cu 5.34857430 12.49146122 14.29631521 0.14168040 0.18635377 0.30734626 Cu 5.33846228 10.75794169 16.13860733 0.12342662 -0.18402547 -0.10363872 Cu 3.58942969 12.48495745 16.07665899 -0.17302504 0.18945269 0.24199865 Cu 7.13661170 10.75494186 14.32802058 0.07078046 -0.13534408 0.09082728 Cu 8.92667916 12.56015112 14.34037715 0.12822881 -0.18877004 0.00587527 Cu 8.97837932 10.75848586 16.09175692 -0.18956483 -0.16418796 0.15271264 Cu 7.18486605 12.50314845 16.12069833 -0.23671620 0.15195530 0.04224170 Cu 10.70851431 10.72776324 14.30007320 0.28981425 0.10328951 0.19785245 Cu 12.52411307 12.48778886 14.30514742 -0.08785826 0.37473679 0.36002988 Cu 12.49685397 10.71366917 16.08218373 0.11181542 0.13279601 0.18535901 Cu 10.71899162 12.50590690 16.10256818 0.22727380 0.11994067 0.14177016 Cu 14.28778212 10.76812102 14.29158066 0.40793412 -0.24530679 0.46992656 Cu 16.08688253 12.50509598 14.32558415 0.09939405 0.13658977 0.11724440 Cu 16.07593941 10.76061897 16.09583365 -0.28433199 -0.11448571 -0.27323373 Cu 14.32633795 12.55081165 16.13017884 -0.06264859 -0.11564822 -0.07425724 Cu 0.00031016 14.29728896 14.32567134 0.07631038 0.21457650 0.13438215 Cu 1.79439160 16.11444336 14.29063076 -0.19152372 -0.11935345 0.26939771 Cu 1.78648182 14.31237994 16.06123919 -0.12370439 0.14131837 0.08600581 Cu 0.02696294 16.11132272 16.09259658 0.55956256 -0.56739219 -0.57304548 Cu 3.59046319 14.30742579 14.32483807 -0.15579886 0.25601402 0.22886112 Cu 5.34300370 16.07941894 14.34153057 0.06533976 0.20644665 0.04769188 Cu 5.35775943 14.29436139 16.10106340 -0.04113312 0.09696641 0.09698891 Cu 3.56790103 16.11015392 16.13340098 -0.06804353 -0.43149165 -0.44366483 Cu 7.12286684 14.34426369 14.33275999 0.18912043 -0.09765736 0.13514068 Cu 8.94228240 16.06363436 14.32614310 0.05804111 0.18655524 0.10417554 Cu 8.98067812 14.31253021 16.13631370 -0.24821308 0.09542041 -0.00197416 Cu 7.14545450 16.07752795 16.07033760 0.01944278 -0.19017791 -0.10577749 Cu 10.72038117 14.31152614 14.36756359 0.26746305 0.14359088 -0.18764129 Cu 12.51889951 16.09265342 14.30558105 0.10277641 0.09606962 0.09897277 Cu 12.53954004 14.36745367 16.08700133 -0.09395173 -0.17607029 0.07652077 Cu 10.71724042 16.08749644 16.10351603 0.08465253 -0.18130285 -0.24042402 Cu 14.30098086 14.28978283 14.33606705 0.32432382 0.44368605 0.04322610 Cu 16.11085507 16.11878801 14.33795347 -0.52838686 -0.58525951 -0.04838740 Cu 16.11257813 14.29854226 16.10232656 -0.46013756 0.12059481 -0.45865429 Cu 14.31121248 16.10349373 16.09900842 0.12704796 -0.43182467 -0.45321269