864 Lattice="21.4742374420166 0.0 0.0 0.0 21.4742374420166 0.0 0.0 0.0 21.4742374420166" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2826.6779708826994 stress="-0.0038957858584906697 -6.192906087297255e-05 7.190821033544343e-05 -6.192906087297255e-05 -0.003962080729753075 0.00013813357800617862 7.190821033544343e-05 0.00013813357800617862 -0.0038852518233344503" pbc="F F F" Cu 0.00145421 0.01011339 0.00730764 0.61390520 0.59135845 0.62805553 Cu 1.80309299 1.75317617 0.00098706 -0.25506072 0.20584399 0.02418296 Cu 1.79145638 0.02030548 1.81151434 -0.14749660 -0.13547578 -0.17471200 Cu 0.00663992 1.78931723 1.79328656 0.03279585 0.05467310 -0.11919715 Cu 3.51990340 0.02807121 0.01596771 0.16205113 0.20801450 0.33312115 Cu 5.36712775 1.75537512 0.02101220 -0.24239540 0.22189243 -0.15969458 Cu 5.37527696 0.00138006 1.74973362 -0.13735257 -0.05586581 0.11302877 Cu 3.54427588 1.81930580 1.80782892 0.24875223 -0.17217638 -0.32065601 Cu 7.14078593 0.03013923 0.00359137 0.10148427 0.21312620 0.22617802 Cu 8.96418801 1.75832600 0.02256122 -0.07771044 0.01687123 -0.32245847 Cu 8.91706965 0.01379411 1.77402031 0.09320904 -0.11637090 0.12778221 Cu 7.13856923 1.81648575 1.75553847 0.15273767 -0.28044317 0.28601210 Cu 10.71890784 0.01272277 0.03362812 0.05805547 0.24873471 0.20430368 Cu 12.54858048 1.77692302 0.04068542 -0.17529034 -0.02250962 -0.17078151 Cu 12.48622879 0.01344316 1.77002296 0.17219099 -0.13512838 0.15110011 Cu 10.70672937 1.79435217 1.79008170 0.21973950 -0.21643562 0.09812363 Cu 14.29909309 0.02016729 0.00330243 0.13801144 0.33103022 0.37614745 Cu 16.13951118 1.81884140 0.00397028 -0.19369444 -0.09697704 -0.05409720 Cu 16.10118872 0.02743350 1.80711670 0.03349381 -0.19516130 -0.27391494 Cu 14.32536249 1.76498279 1.80053844 -0.06871120 0.11895522 -0.02527231 Cu 17.90082986 0.01577894 0.00942817 0.02122267 0.38518485 0.45059333 Cu 19.68499109 1.77690065 0.01203639 -0.46131911 0.01652188 0.49606331 Cu 19.69420527 0.01236544 1.81576322 -0.42150593 0.40744112 -0.12022511 Cu 17.88826346 1.75890009 1.77308623 0.19327399 0.17170444 -0.01940694 Cu 0.01399607 3.54376438 0.02330612 0.46785116 0.07578169 0.35298279 Cu 1.81270399 5.40414430 0.01301830 -0.22442558 -0.12618572 -0.04382931 Cu 1.80546057 3.60541209 1.80889115 -0.24906886 -0.24849325 -0.24794981 Cu 0.02307934 5.33590663 1.82079960 -0.14469352 0.15072852 -0.32974426 Cu 3.56567288 3.61246609 0.01824601 0.12770070 -0.18379592 -0.09345703 Cu 5.39471509 5.39697267 0.02918883 -0.28200744 -0.30500700 -0.19626080 Cu 5.39449457 3.56941383 1.81755559 -0.23005624 0.22553947 -0.28881402 Cu 3.55592841 5.35996136 1.81032423 0.36352917 0.12484751 -0.09039753 Cu 7.19251558 3.55028494 0.03205076 -0.12740566 0.23847956 -0.27951528 Cu 8.98100404 5.40267561 0.02895901 -0.15079848 -0.30245024 -0.11043582 Cu 8.97243727 3.54389767 1.76138598 -0.15163692 0.33812817 0.18611232 Cu 7.13933064 5.40404172 1.78621407 0.29142376 -0.35217473 0.14799555 Cu 10.75830878 3.55664746 0.01454030 -0.00981449 0.07611013 -0.22486121 Cu 12.52119827 5.38941663 0.00180503 -0.12596549 -0.19156600 -0.18788885 Cu 12.49943236 3.58496750 1.81799909 0.14995153 -0.23291055 -0.21587927 Cu 10.76083275 5.33664523 1.82058560 -0.25785971 0.20181271 -0.14648692 Cu 14.25574226 3.58825667 0.03438159 0.19713206 -0.15897880 -0.16873359 Cu 16.07511632 5.33540372 0.02305220 0.24278253 0.07829113 -0.05520919 Cu 16.08201387 3.57882889 1.81395783 0.19708202 -0.11799429 -0.11784816 Cu 14.29453055 5.35136065 1.78725931 0.11600279 0.09273998 -0.02583340 Cu 17.92501141 3.59562159 0.02551149 -0.03205451 -0.06467631 -0.07932592 Cu 19.67577118 5.38865120 0.00944595 -0.20095346 -0.09831176 0.34739676 Cu 19.65127956 3.57833510 1.81266827 0.34177535 -0.08792272 -0.35725909 Cu 17.91798443 5.35877847 1.81255565 -0.16594963 0.13820844 -0.23278645 Cu 0.02369909 7.11986817 0.00820149 0.34623806 0.06971893 0.42425559 Cu 1.78424811 8.95244738 0.02783448 -0.09552288 -0.06674506 -0.24020681 Cu 1.80824683 7.18119966 1.81736054 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0.15944382 0.11636272 -0.27132744 Cu 16.07938275 8.94994948 0.03295928 0.17328390 -0.14230228 -0.28832343 Cu 16.10111237 7.15577891 1.82155778 0.19017403 -0.12115388 -0.40519578 Cu 14.32859183 8.91503564 1.75782599 -0.20640475 0.18135744 0.31890792 Cu 17.94173454 7.12745527 0.02876776 -0.27863519 0.07801980 -0.05959484 Cu 19.69300339 8.90338111 0.00647097 -0.40026613 0.11857815 0.47679699 Cu 19.69708633 7.13139088 1.81777865 0.04404387 0.04210426 -0.10581603 Cu 17.88018841 8.94247861 1.77189477 0.26197250 -0.02124202 -0.01043130 Cu 0.00237376 10.71343644 0.01960507 0.35879085 0.08827787 0.41242482 Cu 1.80401103 12.53597151 0.02440835 -0.17066916 -0.08097533 -0.21301729 Cu 1.79753863 10.70459001 1.76386553 -0.18902706 0.09476263 0.09206321 Cu 0.01029897 12.54812207 1.80347422 -0.12251372 -0.19673690 -0.16402424 Cu 3.60707678 10.75219180 0.00465791 -0.25764812 -0.28631725 -0.25547765 Cu 5.33285319 12.49150386 0.00130928 0.33273003 0.26577203 -0.05353922 Cu 5.36276635 10.70589745 1.76475612 0.10137674 0.11412426 0.25212916 Cu 3.55943219 12.49345203 1.75745854 0.15500972 0.36334817 0.32327152 Cu 7.15189799 10.70558291 0.02453422 -0.14015548 0.10238032 -0.26076733 Cu 8.91972707 12.49848538 0.01605988 0.12010682 -0.04746304 -0.27005998 Cu 8.94588851 10.69704472 1.76273653 0.11183901 0.28124556 0.25436532 Cu 7.18490850 12.50214082 1.80786483 -0.26374442 0.05011927 -0.08886376 Cu 10.77939759 10.72656433 0.01759170 -0.08471235 -0.02527391 -0.08932813 Cu 12.52754126 12.54095870 0.01334942 0.00149235 0.04801039 -0.13963427 Cu 12.56240632 10.75320635 1.80773684 -0.39930135 -0.29950649 -0.18999528 Cu 10.72130964 12.56239424 1.74549741 0.11355631 -0.29210741 0.22227799 Cu 14.31549444 10.75987312 0.03352296 -0.09210887 -0.12600334 -0.32913496 Cu 16.09177926 12.51035310 0.02411865 0.05501773 0.24036444 -0.18654343 Cu 16.09359690 10.75113905 1.77005893 0.11080142 -0.13174009 0.12178936 Cu 14.29922641 12.50478925 1.79992361 0.21155542 0.40746959 -0.13379306 Cu 17.88391876 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16.07971105 17.90306783 8.94915333 0.10467024 0.08279060 0.14986667 Cu 14.25979716 19.71703875 8.89686686 0.14488601 -0.00853522 0.11760452 Cu 17.88671903 17.88435405 7.18412853 0.16987965 0.05862238 -0.27711275 Cu 19.66106671 19.67623299 7.20028514 -0.35376403 -0.38103365 -0.13993686 Cu 19.66559271 17.86794962 8.93947810 0.21709180 0.23089144 0.15533862 Cu 17.86392024 19.65740636 8.91833644 0.16689078 0.14738254 0.33158227 Cu 0.01021702 0.01792123 10.74389486 0.22483355 0.36296035 0.01337586 Cu 1.76158902 1.80306709 10.70288343 0.16177161 -0.01612960 0.30462968 Cu 1.78900708 0.03159703 12.49156278 0.00398365 -0.10320541 0.09463648 Cu 0.01386263 1.81484949 12.54633462 -0.15184854 -0.16780906 -0.12894697 Cu 3.60786208 0.03521764 10.73171968 -0.22961038 -0.30565254 -0.03190684 Cu 5.37583454 1.76716350 10.71638492 -0.01910009 0.25046184 0.16985014 Cu 5.34282225 0.01000385 12.53339549 0.11384516 -0.12381910 0.13653788 Cu 3.59478511 1.76902703 12.53155580 -0.21506451 0.26283842 -0.04539019 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10.74888015 0.01760592 -0.42383441 0.03893597 Cu 8.96064827 16.09411183 10.76247367 -0.09373595 0.25441985 -0.16815037 Cu 8.97564441 14.34025184 12.50535531 -0.31914326 -0.10088291 0.22511895 Cu 7.15814897 16.14079807 12.53076383 -0.06941048 -0.28208300 0.09124464 Cu 10.74237988 14.32807776 10.70406165 0.15136410 -0.18862304 0.18430513 Cu 12.49680553 16.12134678 10.73666768 0.32035566 -0.18900954 0.01544490 Cu 12.56907501 14.33902843 12.53385735 -0.18537279 -0.32824076 -0.22462530 Cu 10.76945185 16.08620787 12.51151353 -0.19397761 0.18719648 0.18672172 Cu 14.32864961 14.33092370 10.70904916 -0.13011284 -0.13936194 0.16208282 Cu 16.12447795 16.07120453 10.73230370 -0.00183489 0.33941031 -0.09891488 Cu 16.08767223 14.29361756 12.50247722 0.07328294 0.22340623 0.27088366 Cu 14.35059077 16.13677832 12.49293997 -0.19076245 -0.12692162 0.09950124 Cu 17.88350021 14.28427311 10.76643154 0.22474001 0.12407767 -0.29180853 Cu 19.67968358 16.07224911 10.76638476 0.14479011 0.17777703 -0.17693566 Cu 19.68763892 14.33312250 12.49455763 0.14201998 -0.16507984 0.22268537 Cu 17.91609448 16.13694706 12.54013916 -0.20584314 -0.30638589 -0.24257974 Cu 0.01046585 17.92550284 10.76443999 -0.14661514 -0.09715648 -0.09810882 Cu 1.76616518 19.65205943 10.70321839 0.07619922 0.20863940 0.27982964 Cu 1.78594496 17.88400194 12.52065869 0.18705759 0.39788136 0.01457177 Cu 0.01518496 19.67707014 12.53848610 0.37103747 -0.29631075 0.03446158 Cu 3.59679580 17.87657002 10.70434544 -0.02523599 0.31188874 0.34808234 Cu 5.39415041 19.68311494 10.75768114 -0.22925122 0.18610492 -0.15699152 Cu 5.38521270 17.90770318 12.52060772 -0.33361987 -0.15717413 0.14691619 Cu 3.57735633 19.70542256 12.54188098 -0.10594913 -0.09228417 -0.12942648 Cu 7.12746911 17.91408992 10.72704309 0.37727763 -0.11984025 -0.02161532 Cu 8.97949128 19.71509811 10.71357991 -0.13348759 -0.11811796 0.09695426 Cu 8.92193357 17.89108640 12.49910194 0.27839111 0.17212966 0.05820727 Cu 7.12305451 19.67914817 12.53800612 0.35375724 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14.34350090 0.08938735 0.10970198 -0.32197857 Cu 1.81689668 0.00803594 16.08002877 -0.26299917 -0.16409262 0.29751729 Cu 0.03789339 1.81496227 16.11957413 -0.25366101 -0.29683489 0.01292668 Cu 3.57681869 0.02529195 14.34640194 0.03950085 -0.19706666 -0.16999203 Cu 5.35636176 1.82489254 14.35259146 -0.02855006 -0.29293512 -0.25658082 Cu 5.39427488 0.01632756 16.09552299 -0.10586187 -0.09424924 0.03471097 Cu 3.55790665 1.80752485 16.10423892 0.06517659 -0.18195795 0.10236136 Cu 7.16491101 0.01925206 14.30239577 -0.17189455 -0.14940478 0.02506499 Cu 8.92022865 1.79049751 14.33927952 0.22165746 0.14803971 -0.05146947 Cu 8.91706104 0.02257253 16.08548503 0.08376861 -0.16668630 0.17924854 Cu 7.13858724 1.82508125 16.10466858 0.11912612 -0.18027454 0.21533637 Cu 10.71667078 0.02740960 14.29088789 0.04908708 -0.19654399 0.25992450 Cu 12.52934999 1.75751201 14.33235137 -0.08867184 0.14620972 -0.17968610 Cu 12.50070813 0.02529553 16.14140828 0.14364569 -0.36215460 -0.24627284 Cu 10.72835671 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