864 Lattice="21.51961784362794 0.0 0.0 0.0 21.51961784362794 0.0 0.0 0.0 21.51961784362794" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2785.630402701637 stress="-0.0035101087752911096 2.0133010519279053e-05 -0.0001590913666409418 2.0133010519279053e-05 -0.0034462940953067086 4.680790464023593e-05 -0.0001590913666409418 4.680790464023593e-05 -0.0034106665674592364" pbc="F F F" Cu 0.00007169 0.00818727 0.00812537 0.56471935 0.58310313 0.62242043 Cu 1.75910883 1.76035933 0.01186526 0.07101610 0.09980548 -0.22167495 Cu 1.82315625 0.02492715 1.74921499 -0.14734132 -0.15519432 0.20227647 Cu 0.03420171 1.82401512 1.80717818 -0.20248145 -0.28365768 -0.10167918 Cu 3.57215099 0.02142806 0.00606518 0.06014424 0.26984360 0.26966385 Cu 5.35283340 1.80597261 0.02612779 0.29806349 -0.13052992 -0.22661177 Cu 5.40631774 0.03488592 1.81132985 -0.07679029 -0.22297250 -0.15676056 Cu 3.60733859 1.81862386 1.76116122 -0.30999375 -0.18183764 0.32878437 Cu 7.21414975 0.00640974 0.02735657 -0.10148633 0.36064814 0.25952749 Cu 8.97181411 1.81533665 0.00006569 0.01934244 -0.19813299 -0.11963185 Cu 8.93003688 0.00637603 1.82596012 0.26108792 -0.21245704 -0.18250535 Cu 7.21340017 1.77464228 1.81567095 -0.20525162 0.22192834 -0.15658553 Cu 10.74717642 0.03368524 0.00049071 0.02953938 0.30575740 0.38818415 Cu 12.56822944 1.81882511 0.00624447 -0.01211766 -0.09876718 -0.12786954 Cu 12.56619069 0.02569430 1.82907967 -0.02222969 -0.24988108 -0.38758195 Cu 10.76997430 1.79095217 1.77660524 -0.09341353 0.08666834 0.15886487 Cu 14.29941302 0.02983837 0.00181289 0.06579977 0.27574117 0.31952654 Cu 16.15300146 1.76617971 0.03031087 0.00513775 0.00993487 -0.35899560 Cu 16.11929137 0.00895479 1.77710169 0.07054431 -0.23858341 -0.01538605 Cu 14.36967582 1.82552012 1.78532008 -0.13498968 -0.15276097 0.04200178 Cu 17.90708040 0.00715565 0.00512449 0.12930716 0.45659820 0.49208923 Cu 19.72507553 1.80542902 0.02241391 -0.53606026 -0.00360746 0.48433226 Cu 19.71080448 0.02607945 1.81412590 -0.48377433 0.42833412 -0.05937095 Cu 17.91319486 1.80827386 1.80376014 0.27254324 -0.14606434 -0.15981617 Cu 0.03429267 3.57935822 0.03307748 0.15129571 -0.08137825 0.11570669 Cu 1.77440260 5.37762432 0.01068824 0.05798846 -0.04802322 -0.33715763 Cu 1.78251733 3.60605300 1.78232631 0.23986088 -0.24279916 0.15940648 Cu 0.01421605 5.36297471 1.76513888 -0.32291234 0.05844379 0.04889193 Cu 3.58710292 3.56408021 0.00425147 -0.14562740 0.07864482 -0.26304410 Cu 5.39598372 5.36963061 0.00748808 -0.08950727 -0.09171650 -0.16401047 Cu 5.34617041 3.56210870 1.83119190 0.40410333 0.05500149 -0.21768990 Cu 3.56209569 5.35327888 1.77972446 0.07349229 0.14049704 0.14330626 Cu 7.20654574 3.55844617 0.00349125 -0.20689805 0.05964985 -0.09227974 Cu 8.99913543 5.40098910 0.02541559 -0.21168993 -0.18546005 -0.32930496 Cu 8.95067153 3.60672914 1.78698700 0.14165783 -0.15281356 0.17078587 Cu 7.15123246 5.37065480 1.79770860 0.07270186 -0.14539340 0.11943445 Cu 10.76605194 3.55597934 0.01137377 -0.05129561 0.03781702 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12.52844535 17.92622227 1.79115634 0.31317410 -0.00835984 0.18007879 Cu 10.77917172 19.70130787 1.77983258 -0.10488386 0.32420958 -0.07892937 Cu 14.31770629 17.89725225 0.02897735 0.17170424 0.23919566 -0.25307646 Cu 16.14699541 19.73560192 0.02935586 0.02613031 -0.43195605 0.37983910 Cu 16.11313463 17.96193090 1.81488366 0.27598507 -0.06783375 -0.09887834 Cu 14.31482461 19.73536992 1.78554529 0.13323051 0.03512874 0.05395597 Cu 17.96045861 17.94302305 0.00979755 -0.10490726 0.05464978 -0.05117106 Cu 19.74756243 19.70497961 0.01561926 -0.60262597 -0.60347910 0.62224368 Cu 19.72956053 17.90059643 1.79720764 0.13184017 0.12144458 -0.11279439 Cu 17.96887119 19.69143565 1.81193001 -0.01968199 0.17836684 -0.16436676 Cu 0.01736866 0.02857661 3.56244859 0.37586949 0.26722864 -0.05925672 Cu 1.81063261 1.78698110 3.61283343 0.13028459 0.07229641 -0.21002797 Cu 1.80852369 0.00134647 5.40015895 -0.15538568 -0.18909718 -0.14620787 Cu 0.01300572 1.77856197 5.35464968 -0.09625672 0.09075591 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3.61548638 -0.13767486 -0.21753743 -0.08518303 Cu 5.34262271 14.30565139 5.35626252 0.26017735 0.23487888 0.16324523 Cu 3.55545574 16.09828264 5.37559859 0.13312384 0.17793931 -0.16294453 Cu 7.20849800 14.32987133 3.59007564 -0.30620844 -0.05588464 -0.11516942 Cu 8.94410391 16.11893577 3.56081149 0.18317243 0.36333655 0.06816932 Cu 8.95817765 14.35643689 5.38590285 0.16788731 -0.19431599 0.01861771 Cu 7.21879003 16.11917733 5.38141512 -0.22210751 0.12501015 -0.11318770 Cu 10.74421107 14.34873476 3.61161859 0.10647913 0.09081518 -0.11474104 Cu 12.55200341 16.17172877 3.62245918 -0.05270944 -0.24088193 -0.35594808 Cu 12.56179590 14.37681107 5.41056150 -0.19446415 -0.13990825 -0.23036131 Cu 10.72920799 16.15724853 5.41112247 0.08884836 -0.00186406 -0.33518943 Cu 14.35145515 14.31265629 3.57590841 -0.21228772 0.24839125 -0.16552313 Cu 16.11445272 16.11517516 3.56512435 0.11725128 0.28527044 0.17671298 Cu 16.17295797 14.32613413 5.37100497 -0.08173012 0.16107706 0.13848436 Cu 14.31438204 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8.95689559 19.76055671 3.56203961 0.07582480 0.06735018 0.09860015 Cu 8.96193815 17.96794009 5.39572286 -0.03852172 -0.17916998 -0.26214914 Cu 7.14853372 19.70433949 5.38352554 0.15233191 0.22057554 0.10382979 Cu 10.76383989 17.96518149 3.55654823 -0.19569162 -0.30940134 0.17140763 Cu 12.53764606 19.73624769 3.55790248 0.18594656 0.06935896 0.12383493 Cu 12.52919428 17.89930923 5.38231675 0.24489502 0.17414699 -0.13394168 Cu 10.78547657 19.69446433 5.38150451 -0.14291042 0.33027140 -0.11521001 Cu 14.38106272 17.91163755 3.61701196 -0.19656702 0.13219794 -0.12926934 Cu 16.17431272 19.73861269 3.61128918 -0.13881422 0.13217873 -0.25366083 Cu 16.17229845 17.95512310 5.40748376 -0.05392109 -0.33582665 -0.25995693 Cu 14.37059137 19.70917106 5.37758192 -0.18777868 0.17751323 -0.06552874 Cu 17.96605350 17.95201740 3.59699487 -0.24406775 -0.17561638 -0.18942515 Cu 19.74156506 19.70237252 3.57719931 -0.27740302 -0.25521660 -0.01470632 Cu 19.74215532 17.93922093 5.36523850 0.17115671 0.09663726 0.10755295 Cu 17.90286648 19.75066097 5.36025828 0.31170296 0.16368319 0.10813753 Cu 0.00748629 0.02188964 7.15390970 0.30212970 0.23255700 0.02428725 Cu 1.77976755 1.78723593 7.18540919 0.19132747 0.13486639 -0.07559274 Cu 1.81625156 0.01179359 8.97973217 -0.15270008 -0.28168676 -0.14754883 Cu 0.03541791 1.76497709 8.94415055 -0.32814569 0.00231548 0.13219523 Cu 3.57907084 0.00559736 7.13897523 -0.00010118 -0.23968716 0.22150739 Cu 5.34425378 1.80236333 7.18109062 0.22254382 0.03544425 -0.09430486 Cu 5.40319758 0.01024750 8.93172304 -0.22598140 -0.23839550 0.13866061 Cu 3.59891985 1.77924796 8.99463382 -0.24056186 0.26281540 -0.17838342 Cu 7.16587873 0.02695551 7.20162433 -0.01896902 -0.38595802 -0.17307904 Cu 8.93123512 1.76625378 7.18183333 0.36790624 0.24038978 -0.09648682 Cu 8.98132199 0.00278888 8.96296713 -0.02798725 -0.24744679 0.14906832 Cu 7.17782016 1.76487264 8.96028513 -0.04921633 0.35488793 0.27042172 Cu 10.75339149 0.02624446 7.19810264 0.14314609 -0.16147079 -0.20829533 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16.16668871 5.36708101 7.15483749 -0.17242379 0.12844565 0.22922125 Cu 16.13004094 3.56893335 8.94006934 0.13985720 0.04398478 0.03311934 Cu 14.33034950 5.35090779 8.99344033 0.08037641 0.20676463 -0.27496228 Cu 17.95953840 3.58970312 7.17846629 -0.19950222 -0.16256074 -0.02753067 Cu 19.69210843 5.39717788 7.17162727 0.41281058 -0.06765304 -0.21456572 Cu 19.74135435 3.61555590 8.94860636 0.08941520 -0.20081661 0.12073881 Cu 17.96432598 5.40861020 8.93411382 -0.46140162 -0.20162032 0.16857037 Cu 0.01067087 7.13355560 7.11269541 -0.11715133 0.19881063 0.26439827 Cu 1.79403552 8.99897455 7.16303103 0.14547046 -0.20039422 0.11285411 Cu 1.80116555 7.14871433 8.96961770 -0.04702360 0.25153125 -0.17752744 Cu 0.03563885 8.98379951 8.97908789 -0.30364473 -0.23609354 -0.21860047 Cu 3.60648522 7.18905215 7.20790389 -0.10401286 0.04830012 -0.18363756 Cu 5.42745724 8.99250283 7.16526292 -0.27930006 -0.30298357 0.14556752 Cu 5.39979075 7.15950896 8.93996511 -0.12251441 0.12771180 0.10701239 Cu 3.61331609 8.99454525 8.99511219 -0.17082795 -0.10552047 -0.18029101 Cu 7.16059115 7.12653161 7.16056305 0.16416308 0.03089987 -0.06980609 Cu 8.95729192 8.94111243 7.15844980 -0.01737867 0.16141675 0.13998065 Cu 8.95847972 7.18605870 8.94576809 0.20268913 -0.14555398 0.08452860 Cu 7.18434914 8.93922452 8.95154793 -0.08711763 0.09568287 0.17961509 Cu 10.76723090 7.20747964 7.15820810 -0.03745033 -0.17424218 0.17931231 Cu 12.56618732 8.93936545 7.19861447 -0.16907651 0.11283962 -0.17903702 Cu 12.58121515 7.19735041 8.96621200 -0.25603895 -0.20087667 -0.01718434 Cu 10.73004882 9.00170163 8.99301581 0.25159411 -0.34220239 -0.18306350 Cu 14.32235811 7.18515060 7.14007902 0.25807529 -0.25893643 0.19329692 Cu 16.10981737 8.98220924 7.19417784 0.22940445 -0.08306531 -0.19056581 Cu 16.13195705 7.19612440 8.97374153 0.14329358 -0.20152841 -0.25216612 Cu 14.34126638 8.94699608 8.95135050 0.03634130 0.28501156 0.21407889 Cu 17.94553258 7.16346911 7.10969914 -0.23434921 0.16483149 0.25379040 Cu 19.73556755 8.93196104 7.16669213 0.28956975 0.07223950 0.07284704 Cu 19.70827245 7.15061759 8.94229509 0.29771803 0.18705009 0.09294667 Cu 17.96752010 8.98214786 8.93273769 -0.25071209 -0.14804571 0.08052825 Cu 0.02937476 10.76142998 7.14436973 -0.28166749 0.01747300 0.15303683 Cu 1.82262936 12.55603784 7.15742703 -0.17734504 -0.13977675 0.15526260 Cu 1.76115283 10.75840050 8.99784248 0.44542924 0.06824775 -0.31260720 Cu 0.01352918 12.51878881 8.97699540 -0.17365423 0.18643317 -0.00643339 Cu 3.61697198 10.76294695 7.14980199 -0.37250558 -0.15857805 0.17637961 Cu 5.34717723 12.51913845 7.15526422 0.33191496 0.22997599 0.05015517 Cu 5.36868487 10.77141354 8.94733637 0.12204712 -0.00992207 0.21498659 Cu 3.57072026 12.55462431 8.96464562 -0.00137564 -0.14337858 0.08096376 Cu 7.15453874 10.72696639 7.19885107 0.29126772 0.31518838 -0.15688926 Cu 8.96490133 12.57371627 7.18989447 0.09467998 -0.16446292 -0.22112587 Cu 8.97903917 10.75376539 8.96482063 -0.32683623 0.09103175 -0.11056411 Cu 7.19395460 12.56838508 8.93583272 -0.21101413 -0.18085006 0.25222546 Cu 10.76458693 10.74817204 7.20516568 -0.12923959 0.07390095 -0.23676913 Cu 12.58355506 12.52952186 7.14748636 -0.18280326 0.21460161 0.22290169 Cu 12.54899025 10.73931211 8.93140879 0.18540219 0.16226733 0.36571477 Cu 10.75422767 12.53985832 8.95599058 0.17854769 0.23983123 -0.08455657 Cu 14.33922024 10.73746041 7.15306549 0.10524715 0.14001029 0.09053466 Cu 16.12181740 12.54011154 7.20533878 0.16324275 -0.09962739 -0.35137004 Cu 16.13088231 10.77197624 8.97541027 0.03760303 -0.13669733 -0.06191247 Cu 14.36456018 12.58333433 8.93229806 -0.27812049 -0.25234196 0.22334291 Cu 17.94381720 10.72398037 7.14276816 -0.21932819 0.31610967 0.25543879 Cu 19.71609440 12.58078631 7.14254749 0.07435550 -0.14222084 0.13438080 Cu 19.73849651 10.77691725 8.95305863 0.11232921 0.03518029 -0.07526648 Cu 17.92085538 12.56757741 8.98074867 0.11056823 -0.21859324 -0.15126868 Cu 0.01540953 14.36853054 7.19791686 -0.15308039 -0.13366868 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