864 Lattice="21.453474331156986 0.0 0.0 0.0 21.453474331156986 0.0 0.0 0.0 21.453474331156986" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2815.9373923688345 stress="-19.60930836225225 2.070813930935117 -0.24382047022555753 2.070813930935117 -17.92195168948048 -0.047633201760049815 -0.24382047022555753 -0.047633201760049815 -18.647113746438162" pbc="F F F" Cu 0.00109224 -0.01218400 -0.02701514 0.55360445 0.63566255 0.57675038 Cu 1.76200732 1.79968148 0.01002614 0.08650412 -0.19102712 0.00906074 Cu 1.73556821 -0.03308007 1.75264494 0.21462705 0.19006252 0.10870640 Cu 0.02806577 1.76749669 1.82218461 -0.11056204 -0.06429134 -0.21320136 Cu 3.55305540 -0.03565630 -0.02154050 0.01645107 0.55885682 0.52676195 Cu 5.36831508 1.80147524 -0.01844374 -0.12176425 -0.08653583 0.17820500 Cu 5.37289485 -0.03517913 1.80223329 -0.30592215 0.21940392 -0.21790968 Cu 3.57215103 1.81231747 1.80290905 -0.04225102 -0.37032221 -0.23693061 Cu 7.11911526 -0.00010681 -0.00491189 0.09824934 0.34324674 0.36712679 Cu 8.93318883 1.80645049 0.01316903 0.12001063 -0.24822906 -0.14021194 Cu 8.97549513 -0.03325507 1.75763818 -0.13080172 0.20662868 0.08910874 Cu 7.16862956 1.80631193 1.76478732 -0.14932308 -0.24445714 -0.08107881 Cu 10.75139908 0.03449605 0.01542707 -0.01463344 0.24860311 0.24298718 Cu 12.53136785 1.76682804 0.00553288 -0.09344389 0.17894032 -0.10100574 Cu 12.55907268 -0.03315287 1.77095610 -0.16876078 0.08608006 0.25152722 Cu 10.75869363 1.81170007 1.81060742 -0.13845369 -0.43632586 -0.24819952 Cu 14.28039259 -0.00251801 0.00326864 0.23341446 0.27522825 0.18141883 Cu 16.12405530 1.79776200 -0.01638365 -0.14951935 -0.22282162 0.15026197 Cu 16.06050080 0.01077384 1.81106079 0.10961443 -0.00551047 -0.23732354 Cu 14.28673809 1.77990371 1.76947632 0.27135172 -0.12603697 0.07423101 Cu 17.84725684 -0.02382907 0.00787482 0.09695832 0.50239691 0.51723301 Cu 19.68365772 1.81654655 0.01708023 -0.46898957 -0.10466649 0.33754913 Cu 19.68202425 0.03135088 1.82121955 -0.39327418 0.21611234 -0.16916165 Cu 17.90621917 1.77683091 1.79477252 -0.11300168 -0.09761180 -0.20392426 Cu -0.02744344 3.56339745 0.01282682 0.29408572 -0.04230202 0.25572583 Cu 1.82349652 5.34055957 -0.03089444 -0.25829504 0.23778923 0.07702481 Cu 1.75878974 3.58780779 1.75367602 0.23322832 -0.10184447 0.17145810 Cu 0.02127562 5.33322818 1.78262716 -0.10737277 0.30689331 -0.08375799 Cu 3.56300015 3.60110909 0.01213712 0.15954293 -0.14561859 -0.06645755 Cu 5.38255516 5.39905607 -0.01064417 -0.02275405 -0.18946416 -0.02158638 Cu 5.36264379 3.59613220 1.78567346 -0.07467325 -0.16937909 -0.17816428 Cu 3.59837321 5.39852226 1.80668772 -0.23252923 -0.28606027 -0.13683516 Cu 7.18074131 3.60008550 0.00549779 -0.14087882 -0.03301586 -0.18503072 Cu 8.97487220 5.39268621 0.00173104 0.00879079 -0.15676189 -0.12452369 Cu 8.97075348 3.54502906 1.75879012 -0.07873785 0.13664372 0.28169698 Cu 7.20790325 5.32944356 1.78799046 -0.27790646 0.08716675 -0.20996005 Cu 10.73421808 3.59791429 0.02278714 0.11717307 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1.76413472 0.21031410 0.07231701 0.13545431 Cu 3.60578161 12.49251760 1.78889581 -0.30935212 0.26432557 -0.02116368 Cu 7.18427508 10.73934140 0.02858735 -0.34046072 -0.26824865 -0.28793116 Cu 8.92660533 12.50447710 -0.02457234 0.24969043 0.18311382 -0.02114319 Cu 8.91629715 10.74028636 1.76902549 0.17559156 -0.12130598 0.11190683 Cu 7.14908421 12.48735083 1.75898747 -0.23260385 0.29782094 0.14385170 Cu 10.75419703 10.73060828 0.02552045 -0.27415485 -0.14506164 -0.22422383 Cu 12.49966664 12.47924398 0.00467885 0.14455774 0.23042766 -0.19072275 Cu 12.54705520 10.72234718 1.79610690 -0.23695422 -0.04269992 -0.22017916 Cu 10.74622038 12.47929469 1.77563691 -0.26872124 0.13965296 0.07831427 Cu 14.28777091 10.73090102 -0.02827525 0.12569441 -0.12456351 0.00252130 Cu 16.07354969 12.50471931 0.03556201 0.16035935 0.00223231 -0.29812370 Cu 16.11907188 10.69151484 1.81128538 -0.19710141 0.15279463 -0.16061544 Cu 14.32971689 12.50180702 1.75698619 -0.09961968 0.04692102 0.17209424 Cu 17.86546126 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16.10644852 -0.26540677 -0.16397329 -0.08146983 Cu 14.30925938 5.38608665 16.08074330 -0.19713408 -0.24730857 0.25383695 Cu 17.86124070 3.55612403 14.32580008 0.13013372 0.18638512 -0.12017599 Cu 19.63329405 5.35470814 14.27224989 0.10809019 0.04705165 0.21185743 Cu 19.69519139 3.56477340 16.08877596 -0.10001294 -0.08600900 0.08783565 Cu 17.87346959 5.34800270 16.12416194 0.20475417 0.15099123 -0.15537176 Cu 0.00805696 7.14353421 14.31045436 -0.00125092 0.13691459 -0.16861249 Cu 1.80502118 8.94165520 14.32621172 -0.16222884 -0.05316668 -0.34006590 Cu 1.81275611 7.16677417 16.09671367 -0.31563997 -0.18048543 -0.08582782 Cu 0.01794783 8.97109183 16.05927957 -0.22751007 -0.31863620 0.22046189 Cu 3.56678977 7.14439697 14.33470923 0.09115084 -0.02293267 -0.17542748 Cu 5.33736269 8.94281913 14.32245475 0.18161943 -0.25717392 -0.09864257 Cu 5.38815862 7.11833941 16.08948739 -0.16360753 0.23793304 0.10866266 Cu 3.55813475 8.94604925 16.12113480 0.39975979 -0.05434550 -0.18856802 Cu 7.16623567 7.16377198 14.29097042 -0.19291265 0.16285609 0.01490054 Cu 8.90935794 8.92450615 14.26690989 0.08606305 0.14305373 0.28124290 Cu 8.97256766 7.17671264 16.09289283 -0.21776741 -0.17959653 -0.12699084 Cu 7.13765903 8.96903256 16.13569753 0.00042892 -0.18114364 -0.29789907 Cu 10.74081142 7.13562654 14.27327478 -0.09384280 0.12751735 0.18435517 Cu 12.52158265 8.97398236 14.27888107 0.08661855 -0.39686391 0.09616087 Cu 12.51878985 7.17603011 16.06526929 -0.10896940 -0.30179233 0.06318850 Cu 10.75914146 8.90515066 16.07914362 -0.14877295 0.36338662 -0.17393905 Cu 14.31826492 7.14604988 14.32733380 -0.30134591 0.01851324 -0.46029370 Cu 16.07058543 8.96300463 14.28135179 0.36160317 -0.17134612 0.10233736 Cu 16.07922418 7.17297012 16.07371992 0.28928155 -0.09590255 0.26444697 Cu 14.30658711 8.90538228 16.09921693 0.03270028 0.33138747 -0.12685399 Cu 17.89010342 7.16222483 14.30235690 -0.01178443 0.03376609 0.05809287 Cu 19.66518198 8.94117526 14.28523479 0.14896176 -0.09024398 0.17842300 Cu 19.65271221 7.19884568 16.12260263 0.07622953 -0.23669423 -0.15623311 Cu 17.84710974 8.96314719 16.10879871 0.32382802 -0.18368926 -0.20908858 Cu 0.02948617 10.74909625 14.34705481 -0.21156741 -0.12948912 -0.28462981 Cu 1.76536804 12.51268326 14.28235966 0.33741476 -0.12736409 0.16190598 Cu 1.77890464 10.70016972 16.11486056 0.29201933 0.44509621 -0.11306016 Cu -0.00175459 12.48369637 16.12547372 -0.10365438 0.29915681 -0.08854236 Cu 3.60286549 10.69988452 14.28023598 -0.51879564 0.22653191 0.08232331 Cu 5.34785141 12.48226531 14.33274034 0.06637090 0.45833397 -0.23882456 Cu 5.37012216 10.76740588 16.06386852 -0.10813286 -0.32035597 0.51043777 Cu 3.57623548 12.54822865 16.09462974 -0.26511481 -0.41948144 0.15652572 Cu 7.12161821 10.72952671 14.29792066 0.41611931 -0.07434321 0.14396453 Cu 8.93122950 12.52270108 14.27166224 0.17058765 -0.28271480 0.28334682 Cu 8.96354963 10.72335826 16.10906899 -0.16815866 0.01401938 -0.45059660 Cu 7.15025802 12.52246196 16.12069304 0.16582458 -0.11099787 -0.19846748 Cu 10.73805167 10.70480001 14.29330122 -0.32020063 0.20540330 0.21668934 Cu 12.46721128 12.49092875 14.32633344 0.27987798 0.12613194 -0.22548933 Cu 12.53229396 10.72449168 16.10569928 -0.07875190 -0.18518349 -0.16894328 Cu 10.73973841 12.52992194 16.11109787 -0.11506352 -0.05124517 -0.21942431 Cu 14.31528301 10.69513537 14.32600831 -0.07584135 0.40170785 -0.11000534 Cu 16.06196743 12.52376734 14.26877216 0.40311038 -0.28000983 0.32736742 Cu 16.12309666 10.69804190 16.08811860 -0.14324939 0.36653784 -0.10898453 Cu 14.28216962 12.52505179 16.08715883 0.38319461 -0.20120221 -0.08681655 Cu 17.92714769 10.69499496 14.26658707 -0.32797524 0.34774826 0.31577196 Cu 19.65045876 12.56448440 14.32589657 0.15580213 -0.13418011 -0.07493285 Cu 19.68818890 10.75622639 16.10233081 -0.03717693 -0.18101244 -0.17288736 Cu 17.89189474 12.54765723 16.09332137 -0.12690229 -0.36252037 -0.24058667 Cu 0.01952634 14.30190723 14.27333126 -0.23487938 -0.12930770 0.18936967 Cu 1.77909576 16.08487812 14.29313842 0.14484012 0.08250984 0.16142553 Cu 1.76163122 14.28656926 16.07210796 0.10453614 0.11020362 0.28455231 Cu 0.01634553 16.07775300 16.09965747 -0.07256951 0.12407879 0.00962484 Cu 3.59735674 14.29874741 14.33668123 -0.20243582 0.03474912 -0.13803182 Cu 5.35246530 16.07535453 14.34182354 0.24319788 0.13431190 -0.22837089 Cu 5.37216558 14.27894899 16.12685560 0.10072531 0.26282084 -0.18208862 Cu 3.58130748 16.12295523 16.08612468 -0.14728653 -0.29467770 0.15935804 Cu 7.15336504 14.28759552 14.28010866 -0.30481296 0.07922011 0.31100162 Cu 8.90387301 16.05590580 14.31361288 0.26945518 0.44429469 -0.15291616 Cu 8.96675884 14.27873773 16.06221963 -0.28066359 0.09113901 0.30519685 Cu 7.18408192 16.10544091 16.09287826 -0.30851073 -0.32619309 0.13307413 Cu 10.71327674 14.33750637 14.27457130 0.20719377 -0.15912504 0.28376084 Cu 12.52744793 16.11274113 14.26907256 -0.08298004 -0.10114657 0.35917739 Cu 12.52038322 14.29604999 16.10823838 -0.28186005 0.28094815 -0.17824549 Cu 10.69767709 16.11332429 16.10250765 0.41619472 -0.14104708 -0.25113941 Cu 14.27947323 14.26901374 14.27937843 -0.00226885 0.15588227 0.37573447 Cu 16.06237872 16.05506698 14.29962687 0.18648878 0.32018601 0.08880495 Cu 16.12395893 14.31357212 16.09773941 -0.45674855 -0.16998781 -0.05545472 Cu 14.28764716 16.09745902 16.11579574 0.10347714 -0.14058274 -0.16747067 Cu 17.85392820 14.32820433 14.30101168 0.11441041 -0.22968999 -0.01219016 Cu 19.66071938 16.06283587 14.26827385 0.15620312 0.15581186 0.37461302 Cu 19.63791785 14.34159950 16.08620178 0.18381609 -0.07328776 0.14191880 Cu 17.85589544 16.07292605 16.11920906 0.22398207 0.31353560 -0.24973797 Cu 0.02994293 17.86062763 14.28448307 -0.10561911 0.12187432 0.02430671 Cu 1.79328159 19.69668735 14.30713453 -0.00065585 -0.10965295 -0.11255104 Cu 1.78170119 17.89480371 16.07929507 -0.11664359 -0.03393307 0.04881697 Cu -0.01600713 19.65536504 16.05804001 0.33290018 -0.32583287 0.10386067 Cu 3.58189276 17.84937242 14.28166491 -0.18475533 0.38154944 0.11500514 Cu 5.37669785 19.64799123 14.28255389 -0.15501242 0.13237369 0.16390982 Cu 5.35875176 17.90624155 16.10660120 0.04081921 -0.09466228 -0.13221753 Cu 3.53990749 19.69468956 16.08970760 0.24399852 -0.04676509 -0.09292359 Cu 7.16694339 17.87278894 14.31798162 -0.13558567 0.07508055 -0.08919783 Cu 8.95697491 19.69373060 14.29331109 -0.14268617 -0.06644223 0.21794539 Cu 8.91952608 17.85459743 16.10019381 0.14930850 0.42776222 -0.25230411 Cu 7.13349430 19.66758619 16.10820026 0.17865414 0.06850454 -0.09404174 Cu 10.75925426 17.89358565 14.31622467 -0.51301570 -0.30069950 -0.14606517 Cu 12.49425894 19.63012015 14.32940551 0.26353333 0.45723728 -0.20366496 Cu 12.53186629 17.90929797 16.08441838 -0.10231002 -0.27274262 0.21249172 Cu 10.73467219 19.63336690 16.06102016 -0.09065490 0.23948113 0.30599736 Cu 14.31724726 17.85782003 14.31475597 0.11198545 0.20623161 -0.13323374 Cu 16.10315930 19.64239142 14.32705459 -0.02155143 0.15963728 -0.22240891 Cu 16.11352011 17.88086394 16.06317940 -0.10880917 -0.09242259 0.37252839 Cu 14.28843178 19.68729862 16.06803336 0.15435735 0.02112569 0.16612807 Cu 17.90838286 17.89296486 14.32068790 -0.16967505 -0.17895449 -0.22649127 Cu 19.65965975 19.66688140 14.28212929 -0.29407502 -0.18713983 -0.06695546 Cu 19.66384042 17.90160309 16.05888142 0.09172223 -0.13820482 0.18503525 Cu 17.89227300 19.64482590 16.09702180 0.09736772 0.14827674 0.13619021 Cu 0.03285132 0.02462381 17.89422468 0.25261934 0.15255404 -0.10572292 Cu 1.77602626 1.81767920 17.91686762 0.19799518 -0.26350130 -0.22367083 Cu 1.77116967 0.00456784 19.65178497 0.10834680 0.34097012 -0.26873626 Cu -0.02912819 1.78497944 19.63910321 0.40904192 0.14102350 -0.22303912 Cu 3.59235331 -0.01106227 17.90097672 -0.23501199 -0.00480921 -0.19801755 Cu 5.36273350 1.78057604 17.86438349 -0.11728537 0.06483070 0.13618389 Cu 5.37159223 0.00646125 19.64090706 0.07689151 0.25345602 -0.24379522 Cu 3.56804459 1.76728757 19.62991089 0.10608479 0.17485902 0.15496375 Cu 7.18329205 -0.00119574 17.86317024 -0.17555010 -0.08939267 0.22481314 Cu 8.94048258 1.75043085 17.85643097 0.09202233 0.35996065 0.23334182 Cu 8.97187126 0.02199133 19.65752034 -0.19334432 0.24865929 -0.19927561 Cu 7.12234070 1.81917065 19.63273342 0.22686738 -0.27303022 0.11825486 Cu 10.72552723 -0.01359754 17.89548726 0.11152058 0.00470056 -0.16865859 Cu 12.48396183 1.78299522 17.90180354 0.25871445 -0.21975730 -0.02744974 Cu 12.52764280 0.03279798 19.68661144 0.10396896 0.18493533 -0.32966518 Cu 10.74594286 1.75453538 19.69894049 -0.15234578 0.22625998 -0.05926781 Cu 14.31510591 0.00065002 17.84937515 -0.10675469 0.07862766 0.19720596 Cu 16.07703633 1.82303066 17.91059678 0.20584195 -0.41129542 -0.24136544 Cu 16.09057165 -0.01240355 19.66981361 0.01266298 0.37133172 -0.32145254 Cu 14.33267389 1.79804154 19.63623684 -0.28369375 -0.19479056 0.22973421 Cu 17.85753197 -0.01201385 17.90586959 0.02731265 0.14040825 -0.12819279 Cu 19.62312201 1.74752355 17.91017682 0.06403479 0.09738097 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