500 Lattice="17.94168495705435 0.0 0.0 0.0 17.94168495705435 0.0 0.0 0.0 17.94168495705435" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1504.0158115967301 stress="-0.0033047438863651147 0.0005586523827227142 -0.00018692617654591796 0.0005586523827227142 -0.0032207509801225206 8.529278095641595e-05 -0.00018692617654591796 8.529278095641595e-05 -0.003444270021136862" pbc="F F F" Cu 0.00160292 0.00408995 0.03068896 0.41724127 0.38891016 0.41329918 Cu 1.82475935 1.76507074 0.02238989 -0.16368940 0.17132590 -0.05384499 Cu 1.79993428 0.02925107 1.81666123 -0.14300284 -0.15200916 -0.08770351 Cu 0.04482096 1.81379579 1.80436852 -0.02264942 -0.05890443 -0.12982858 Cu 3.57505821 0.01755672 0.02379214 0.12001476 0.14365440 0.25559830 Cu 5.41035819 1.78423568 0.03297609 -0.18291118 0.08095575 -0.05019332 Cu 5.40215811 0.03314891 1.84150204 -0.11043552 -0.08514719 -0.14888526 Cu 3.56152021 1.77114010 1.82081859 0.15525388 0.16820466 -0.20353924 Cu 7.15237346 0.03390594 0.02813321 0.13920918 0.09950614 0.22212953 Cu 9.00281352 1.76549719 0.01276770 -0.24186514 0.12717038 -0.08032074 Cu 8.99992056 0.00955590 1.82346377 -0.17624224 -0.06528564 -0.09933820 Cu 7.19875724 1.79475381 1.80405977 -0.02400973 -0.15635165 -0.10994082 Cu 10.75938941 0.02994272 0.00080947 0.08329876 0.09015163 0.17747940 Cu 12.57891578 1.77526341 0.00781052 -0.14211179 0.22467172 -0.11962279 Cu 12.57641419 0.03342529 1.76554680 -0.11404127 -0.06170113 0.28982827 Cu 10.75671178 1.77978591 1.78091206 0.14089171 -0.02102110 0.06147503 Cu 14.33147102 0.03150621 0.02553788 0.07956726 0.12372794 0.17531749 Cu 16.12787069 1.78059499 0.00557426 -0.29896892 0.15253328 0.30057350 Cu 16.11962739 0.02616355 1.83743816 -0.26569282 0.22593021 -0.05141438 Cu 14.33570667 1.82002482 1.77075716 0.23194720 -0.11397383 0.10335265 Cu 0.02661326 3.62371325 0.02229889 0.19786546 -0.21761075 0.14136061 Cu 1.80308871 5.37220298 0.04207116 0.08038164 0.25747538 -0.20192150 Cu 1.82729683 3.61238283 1.74947487 -0.22758198 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-0.24925076 -0.15243151 Cu 16.11315382 5.38094028 0.01144591 -0.17556195 0.07426202 0.12819145 Cu 16.15411074 3.62498463 1.76581708 -0.04331715 -0.19170182 0.16061379 Cu 14.33095760 5.35715549 1.80023531 0.31961983 0.28517834 -0.05851526 Cu 0.00790305 7.18944276 0.00591685 0.20465397 -0.11874320 0.22810251 Cu 1.76540149 8.94684333 0.00069383 0.21362331 0.13718314 0.07516044 Cu 1.78040379 7.18262196 1.80891511 0.05227048 -0.13630433 -0.17613112 Cu 0.03065704 8.94989774 1.80757586 -0.12631376 0.20545965 -0.02976616 Cu 3.61098766 7.20269922 0.02905755 -0.14082672 -0.23095329 -0.07741237 Cu 5.35416233 8.99888447 0.01317332 0.10699324 -0.05442693 -0.05069579 Cu 5.36977510 7.17157731 1.80525777 0.25855453 0.08227371 -0.22334536 Cu 3.59633151 8.94587160 1.80184998 -0.14676345 0.26839232 -0.25925050 Cu 7.18264217 7.17095842 0.02302334 -0.08243839 0.11593186 -0.18115903 Cu 9.00570731 8.98340414 0.00990931 -0.08821078 -0.17140056 -0.16533059 Cu 8.94192082 7.17753182 1.80864176 0.38186765 0.00443628 -0.27686412 Cu 7.20114781 8.97178645 1.77600961 -0.24801412 -0.13879305 -0.06570042 Cu 10.79771376 7.18259593 0.00380030 -0.15459386 -0.13140853 0.00613154 Cu 12.57946983 8.96152378 0.03056795 -0.04373607 0.00143050 -0.08986468 Cu 12.58762243 7.14382467 1.82509776 -0.09571792 0.16205442 -0.34024052 Cu 10.75514959 8.94529381 1.78668270 0.04753889 0.04870728 -0.04423574 Cu 14.37390178 7.20353820 0.03058969 -0.12383296 -0.17196252 -0.16981778 Cu 16.14575258 8.97834243 0.01564791 -0.19113443 0.10278842 0.13926639 Cu 16.11505769 7.19659886 1.75867516 0.11465919 -0.19273902 0.22380432 Cu 14.37282075 8.95917379 1.76112986 0.02459662 0.29897503 0.25504594 Cu 0.02825226 10.75769684 0.00418078 0.21362209 -0.02402044 0.22961888 Cu 1.81670872 12.53825553 0.02291477 -0.09344608 0.26172655 -0.07184376 Cu 1.80033322 10.78429403 1.80243278 -0.14250252 -0.22549448 -0.10681196 Cu 0.04600673 12.53422205 1.79067188 -0.11320418 0.14550948 0.03664241 Cu 3.55260730 10.79904944 0.03323109 0.08988546 -0.20038589 -0.07558300 Cu 5.35867575 12.58924808 0.02808992 0.09394163 -0.17401256 -0.16182791 Cu 5.40064502 10.78830531 1.79224157 -0.18155943 -0.16178002 -0.15874402 Cu 3.56028558 12.58650250 1.81383841 0.14910427 -0.03965079 -0.11076069 Cu 7.18623154 10.73368444 0.01612209 -0.11509962 0.13652536 -0.17049879 Cu 8.95397721 12.53372175 0.01014689 0.14467910 0.08886554 -0.11674293 Cu 8.97044451 10.75027639 1.76338530 0.16351612 0.20064046 0.05595832 Cu 7.16488807 12.54792962 1.77439281 0.07713184 0.08997726 0.03002944 Cu 10.76170640 10.74679932 0.00336094 0.10471306 0.10322034 -0.06160698 Cu 12.53082416 12.58785392 0.00054503 0.10096689 -0.18034633 -0.03064860 Cu 12.52746639 10.74484768 1.80338878 0.17185223 0.14005133 -0.22659440 Cu 10.78604434 12.56755937 1.81242130 -0.18256481 -0.06982008 -0.29406506 Cu 14.33929817 10.78845549 0.04147007 0.02681235 -0.05313069 -0.10062370 Cu 16.13097053 12.57143202 0.01930969 -0.21730629 0.07036736 0.19082300 Cu 16.17946066 10.79173258 1.78044239 -0.14528697 -0.10886468 0.16316430 Cu 14.33573283 12.55225610 1.79051660 0.24130562 0.09017690 -0.06680849 Cu 0.03315782 14.33956679 0.02417467 0.19251221 -0.10661731 0.23896427 Cu 1.77920781 16.11174547 0.02567874 0.17619073 -0.17926889 0.17765551 Cu 1.78701911 14.38716721 1.81245044 -0.04413235 -0.03719769 -0.20448378 Cu 0.00387068 16.15744569 1.78288546 0.24365452 -0.30779374 0.14965369 Cu 3.61045197 14.33478697 0.02441082 -0.27734734 0.11194580 -0.02775979 Cu 5.34874293 16.11259016 0.00367356 0.15178456 -0.12626110 0.18609359 Cu 5.39188592 14.37134566 1.76651442 0.06635250 0.08355997 0.24392982 Cu 3.59382942 16.17468450 1.79011466 -0.05267090 -0.06577188 0.08743057 Cu 7.16662959 14.34332441 0.00970706 0.05831828 0.17027340 -0.04755846 Cu 8.98928745 16.15633966 0.00182720 -0.01604400 -0.32125331 0.30543133 Cu 8.94436620 14.31930594 1.76107750 0.07889562 0.41011780 0.11200775 Cu 7.20250879 16.18294871 1.82244259 -0.08190939 -0.20971510 -0.09056893 Cu 10.77395753 14.34578594 0.05902666 -0.08662575 0.09943815 -0.16304805 Cu 12.55554167 16.15511072 0.00477998 0.00143890 -0.26303787 0.20540207 Cu 12.58778903 14.34117587 1.77957809 -0.07072358 0.38276550 0.20927084 Cu 10.79600751 16.17453831 1.78641136 -0.11717980 -0.19538103 0.11502426 Cu 14.32223439 14.35408337 0.03216761 0.23493125 0.07311391 -0.08400900 Cu 16.16662742 16.16038138 0.02752490 -0.43122802 -0.44263771 0.38717904 Cu 16.15054305 14.36257761 1.79386629 -0.14576802 0.06106737 -0.01960873 Cu 14.34763910 16.16794555 1.76065199 0.08655317 -0.14905894 0.18114345 Cu 0.00373096 0.01287797 3.59520400 0.21054210 0.26755930 -0.05617606 Cu 1.79374642 1.77911152 3.59954674 -0.18396651 0.16677578 -0.09383012 Cu 1.79661721 0.00851407 5.36794173 -0.14752291 -0.09417014 0.09226858 Cu 0.00062036 1.81800051 5.39487524 0.01730480 -0.19636210 -0.03774079 Cu 3.56298732 0.02843233 3.58147762 0.09516912 -0.30257117 0.04619465 Cu 5.36408153 1.76930287 3.61612827 0.12019408 0.05078687 -0.13625998 Cu 5.36840205 0.02770892 5.42591547 0.11233871 -0.14771795 -0.20621562 Cu 3.55292527 1.75479776 5.36245631 0.11015853 0.25692241 0.19120574 Cu 7.18630111 0.01935143 3.61053347 -0.01493185 -0.10288196 -0.00557489 Cu 8.95002338 1.80059578 3.60005604 0.23231083 -0.12420411 -0.13433929 Cu 8.97640368 0.01381126 5.37731356 -0.01562287 -0.03031828 0.13016678 Cu 7.19321042 1.82883989 5.37433519 -0.10573809 -0.34189313 0.09123786 Cu 10.73488550 0.01621692 3.61334807 0.23392496 -0.07330691 -0.16146280 Cu 12.54987752 1.82137745 3.61416176 0.16912882 -0.27662865 -0.18538101 Cu 12.54139298 0.00141412 5.39506775 0.07575427 -0.01395061 -0.05929246 Cu 10.77570501 1.80183854 5.35769698 -0.16834557 -0.12847069 0.15941911 Cu 14.35371819 0.03581088 3.60370093 -0.10237960 -0.06028777 -0.07788070 Cu 16.11448559 1.80242880 3.57575619 0.05593650 0.07991604 -0.12029306 Cu 16.15807872 0.02572043 5.38712063 -0.16786857 0.20726321 -0.00508852 Cu 14.39968937 1.76143223 5.40265717 -0.28341626 0.25769835 -0.14907655 Cu 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3.61286339 5.38672218 0.14065758 -0.21060546 -0.05112503 Cu 10.73788928 5.39847398 5.35653743 0.11649417 -0.05066400 0.09762232 Cu 14.33098987 3.61417954 3.55299500 0.34628740 -0.31373868 0.21803845 Cu 16.13425134 5.40947963 3.60534385 0.08698979 -0.09125982 -0.22573178 Cu 16.15829253 3.55396393 5.34868913 -0.08625871 0.11954470 0.13695961 Cu 14.35241879 5.40726611 5.34726957 0.20213294 -0.20744681 0.17144586 Cu 0.03014659 7.20709539 3.61401682 -0.17310769 -0.09376178 -0.15235212 Cu 1.80770201 9.00560882 3.56257323 -0.06379129 -0.28400627 0.22229452 Cu 1.78833646 7.18547135 5.37463489 0.08874324 0.00823179 0.06796452 Cu 0.02752925 8.96179871 5.40946426 -0.08280036 0.15423818 -0.03338454 Cu 3.62280976 7.14722466 3.54741827 -0.35400404 0.20288594 0.29560660 Cu 5.36963920 8.98837317 3.58959826 0.26766737 -0.13656490 -0.10537080 Cu 5.40963583 7.17093926 5.36642823 -0.06596919 0.10971848 0.15423286 Cu 3.61997238 8.95494441 5.39879645 -0.24733595 -0.01110286 -0.18883065 Cu 7.20803372 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14.33303022 10.79819129 3.58676238 0.39625426 -0.27667369 -0.17652210 Cu 16.16034741 12.59292853 3.57798419 0.04973938 -0.18248485 -0.05697602 Cu 16.14714004 10.74348299 5.39201066 0.03506746 0.05549008 -0.07548550 Cu 14.41038575 12.54116140 5.39421836 -0.13058080 0.21979262 -0.15940859 Cu 0.03503420 14.33528483 3.60146378 -0.17458897 0.09495362 -0.05302821 Cu 1.77269391 16.14507875 3.59466929 0.10858604 -0.00067486 -0.01897376 Cu 1.76635029 14.32677552 5.40232798 0.08861270 0.35718427 -0.17419239 Cu 0.01976082 16.17900229 5.37971885 0.26005306 -0.30605996 0.08016260 Cu 3.59577957 14.38023665 3.56084352 -0.05208790 0.08293128 0.06917253 Cu 5.41084501 16.14177770 3.62003874 -0.08915735 0.10141102 -0.23933316 Cu 5.39153639 14.33779479 5.35209389 -0.10263206 0.14036958 0.22065458 Cu 3.61670869 16.09016650 5.37280703 -0.26380777 0.20430388 0.00993391 Cu 7.14537580 14.32130399 3.62152909 0.24405968 0.33105099 -0.52452012 Cu 9.00437033 16.11172496 3.59456771 -0.11474308 0.08619493 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