4000 Lattice="35.896373503388624 0.0 0.0 0.0 35.896373503388624 0.0 0.0 0.0 35.896373503388624" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13361.504819842454 stress="-0.004612142402220848 3.473368533072178e-05 -8.30119848614949e-05 3.473368533072178e-05 -0.0045817719638212295 2.5951388484376032e-05 -8.30119848614949e-05 2.5951388484376032e-05 -0.004567273339672077" pbc="F F F" Cu 0.03301764 0.01193253 0.02045364 0.51130072 0.56734823 0.48114435 Cu 1.81707572 1.80640453 0.01009229 -0.08928717 0.14696438 -0.25113878 Cu 1.75977831 0.04787862 1.76714371 0.15682114 -0.27164250 0.17701247 Cu 0.01622294 1.80262441 1.75623145 -0.00181426 0.23591453 0.17112075 Cu 3.59999088 0.00320748 0.03348361 -0.10999401 0.31948529 0.31370313 Cu 5.36067884 1.78661435 0.00637115 0.09425505 0.12943721 -0.07860359 Cu 5.38772193 0.01979504 1.79308328 -0.04500632 -0.06496137 0.05573801 Cu 3.54249337 1.78286882 1.78092448 0.32351745 0.22383675 0.13244356 Cu 7.21300677 0.02930479 0.02348621 -0.08430058 0.34174447 0.29258476 Cu 8.97829838 1.84012889 0.02699810 -0.09452617 -0.20482833 -0.35639677 Cu 8.99590803 0.03471720 1.77413168 -0.14457200 -0.18386265 0.20019035 Cu 7.15563182 1.79709189 1.76478180 0.02279258 0.12121811 0.22039671 Cu 10.73279762 0.03457808 0.01101893 0.16941562 0.39691236 0.36305226 Cu 12.59125489 1.77481837 0.04982770 -0.20420810 0.17984215 -0.20533150 Cu 12.58619608 0.00449419 1.78959382 -0.19526086 -0.08404757 0.17408278 Cu 10.74013027 1.80791448 1.80471083 0.48773982 -0.02215994 0.10610432 Cu 14.38837030 0.00195855 0.00940483 -0.00604667 0.44557167 0.42445212 Cu 16.15665193 1.81560245 0.02976924 0.02665144 -0.05852849 -0.04939807 Cu 16.18026056 0.00586600 1.75919881 -0.13738349 0.06493062 0.32126550 Cu 14.32818912 1.80511835 1.81076887 0.36626582 -0.01813205 0.15845274 Cu 17.97105798 0.00939584 0.01939554 -0.05802719 0.41464297 0.29055876 Cu 19.77747969 1.76231912 0.02415848 -0.16623059 0.41581709 -0.21560027 Cu 19.75712793 0.03554224 1.77059164 0.09688004 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0.66740428 0.60706900 Cu 34.07687521 1.78816065 0.00718213 -0.55161770 0.10656836 0.51063065 Cu 34.06813173 0.02861307 1.78666796 -0.53970447 0.46953312 0.16535813 Cu 32.32103924 1.82775770 1.82439936 -0.09862729 -0.25576016 -0.29055905 Cu 0.03193951 3.65245689 0.01896760 0.33788538 -0.16889340 0.38666667 Cu 1.82504979 5.36762622 0.01947578 -0.16458937 0.23991756 -0.12159639 Cu 1.81347972 3.62169954 1.77804979 -0.27794659 -0.24985694 0.21586228 Cu 0.00788143 5.41604435 1.82652397 -0.13883016 -0.12240432 -0.10941437 Cu 3.60558142 3.61092204 0.02897739 -0.04505667 -0.18362971 -0.32039019 Cu 5.36787538 5.40646676 0.01326112 0.15907182 -0.10667661 -0.19313862 Cu 5.36512561 3.59633634 1.79734223 0.15878492 -0.18022624 0.05745644 Cu 3.61533000 5.36141553 1.82310207 -0.23135164 0.35437379 0.08227846 Cu 7.20487405 3.61186170 0.00078986 -0.27982511 0.00348459 0.00190000 Cu 8.93946564 5.42173594 0.00133096 0.15986714 -0.29100552 -0.09059831 Cu 8.97000730 3.55730561 1.80099466 -0.17459530 0.47215970 0.19510858 Cu 7.14359938 5.40320295 1.84835517 0.22076640 -0.28480477 -0.33000552 Cu 10.73957169 3.59181070 0.02753050 0.20908917 -0.07068248 -0.28632133 Cu 12.56495415 5.35310099 0.00858591 -0.06537783 0.28027702 -0.15460658 Cu 12.57453582 3.61685474 1.80114090 -0.09360674 -0.28770230 0.17009659 Cu 10.73674179 5.34956091 1.77361489 0.07786490 0.15907715 0.24629190 Cu 14.36793946 3.61438054 0.02327305 -0.12595977 -0.32194301 -0.35516550 Cu 16.15394595 5.36553313 0.01931941 0.06945791 0.30251821 -0.41348466 Cu 16.12786790 3.61980973 1.77305421 0.23215753 -0.64039766 0.34313212 Cu 14.38672701 5.38173111 1.76248947 -0.35461670 0.22570306 0.43457380 Cu 17.95715971 3.59143327 0.02886723 0.06094935 -0.29355920 -0.21802535 Cu 19.77029572 5.36091162 0.01898589 -0.26555372 0.24733363 -0.28189725 Cu 19.74651404 3.59810729 1.79142454 -0.03671157 -0.34979440 -0.00267477 Cu 17.92168665 5.36007016 1.76561372 0.34369745 0.27633169 0.25156514 Cu 21.56254947 3.61662019 0.02239992 -0.11944020 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0.03093102 0.39508990 -0.15264792 0.45173752 Cu 1.78498220 12.53519449 0.00163513 0.10363559 0.28559489 0.02876712 Cu 1.83403740 10.75497383 1.81246708 -0.25236812 0.30858766 -0.06705490 Cu 0.01670251 12.58218767 1.80160467 0.00258101 -0.07220279 0.09918488 Cu 3.56340522 10.80090048 0.00889831 0.19244759 -0.17694517 -0.30152768 Cu 5.36586785 12.53604401 0.02077167 0.14920288 0.21331629 -0.15229564 Cu 5.35621490 10.80046258 1.81895904 0.28222556 -0.33577918 -0.18785507 Cu 3.59072185 12.55821121 1.78379439 -0.18925150 0.24113594 0.06271730 Cu 7.15446498 10.75513272 0.00150005 -0.00334701 -0.06991980 0.01854485 Cu 8.95177500 12.52473773 0.01172377 0.15834478 0.10761484 -0.15977190 Cu 8.98137521 10.71393510 1.78690224 -0.25877814 0.36137280 0.39389876 Cu 7.20854148 12.57564126 1.78025523 -0.23590565 -0.27170570 0.34406954 Cu 10.76428399 10.80128862 0.02111949 0.18485361 -0.18246288 -0.17904140 Cu 12.53318245 12.59003937 0.01989093 0.40445030 -0.15286077 0.03160780 Cu 12.55955616 10.77466481 1.83040119 0.08625611 -0.10839115 -0.20102053 Cu 10.77460420 12.53802161 1.81989254 -0.30974282 0.20034748 -0.07168940 Cu 14.34314755 10.73344821 0.03263451 -0.06639841 0.53635257 -0.30981543 Cu 16.16765417 12.55160043 0.00728848 -0.15824469 0.15677861 -0.05501722 Cu 16.12459095 10.77864339 1.78797264 0.29629709 -0.13031966 0.18671800 Cu 14.38785155 12.56364947 1.82435777 -0.31689575 0.17824878 -0.23904125 Cu 17.91761525 10.77537264 0.00172477 0.05065141 -0.20978333 -0.16771035 Cu 19.72440359 12.53038927 0.02904835 0.21486833 0.16672082 -0.35916092 Cu 19.70790499 10.74740167 1.77615796 0.46543059 0.10772382 0.22237073 Cu 17.98146919 12.54159619 1.78039706 -0.30052762 0.24164449 0.14774905 Cu 21.54527719 10.77446546 0.00963321 -0.11217259 -0.10008875 -0.23075166 Cu 23.31151651 12.55550693 0.00722082 0.18980730 0.07869045 -0.04675605 Cu 23.32665557 10.77974393 1.79159410 0.13264770 0.14255928 0.11067312 Cu 21.51120291 12.55965970 1.78055957 -0.01391316 0.06260179 0.29131457 Cu 25.11361990 10.74278874 0.02467723 0.12384254 0.12112656 -0.19952396 Cu 26.91839963 12.55529287 0.02660905 0.12872056 -0.08700963 -0.33346808 Cu 26.92907577 10.77177519 1.79682675 -0.01642836 -0.22010150 0.05638007 Cu 25.16032267 12.56649266 1.79484956 -0.39092659 -0.13476150 0.24484175 Cu 28.75287638 10.73453537 0.02376018 -0.18705074 0.18767096 -0.29987973 Cu 30.50710499 12.55055979 0.03401772 0.16257021 0.08494418 -0.24077808 Cu 30.52507809 10.78311664 1.79185174 0.12774975 0.01618863 0.15638613 Cu 28.71570825 12.56719701 1.76610087 0.26568257 -0.06650936 0.19227187 Cu 32.30594046 10.74815338 0.00679869 -0.00187560 0.08672643 -0.11994823 Cu 34.11585470 12.58606781 0.03543324 -0.43676859 -0.17057876 0.25237515 Cu 34.08285416 10.74229742 1.76461457 0.13462667 0.12359478 0.24178407 Cu 32.33043979 12.53022650 1.80951371 -0.11994040 0.07202700 -0.04787559 Cu 0.02401869 14.32759956 0.02482660 0.34883627 0.01865213 0.29940221 Cu 1.78994272 16.12370526 0.02323999 0.05999112 0.15383722 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10.78590571 3.59856696 3.62545176 -0.25377388 -0.08773738 -0.42384795 Cu 12.53050474 5.37438620 3.59036998 0.43169881 0.14406069 -0.06167637 Cu 12.52838643 3.60250713 5.36756491 0.18684743 -0.07272008 0.26032352 Cu 10.70948700 5.40805218 5.35818935 0.34069471 -0.24719495 0.24113310 Cu 14.37675549 3.58354894 3.61908414 -0.30909225 -0.09571614 -0.24839215 Cu 16.13641608 5.35507525 3.55821241 0.12843410 0.08512182 0.24256668 Cu 16.11759781 3.59385558 5.42165235 0.57989637 0.08184076 -0.23187781 Cu 14.37284760 5.35340748 5.40676252 -0.11199075 0.44790963 -0.31834762 Cu 17.96493827 3.56283055 3.56898905 -0.14878314 0.25187250 0.17984155 Cu 19.76196150 5.36164668 3.57081576 -0.18787233 0.26051601 0.00273887 Cu 19.74014264 3.59790556 5.39914740 -0.10162255 -0.27690786 -0.17201413 Cu 17.96279651 5.41466881 5.36788022 -0.08170701 -0.30281274 0.12531733 Cu 21.51611747 3.59251820 3.57381328 0.24009726 -0.20432304 0.15824609 Cu 23.32624664 5.40415188 3.56928595 -0.03935740 -0.17538360 0.09663426 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30.48552378 12.59787514 0.12915351 0.27360604 -0.14645005 Cu 7.14525512 28.69175922 10.79878491 0.18014481 0.28596261 -0.17698707 Cu 8.98673147 30.53493871 10.74907520 -0.18364989 -0.21572449 0.21261688 Cu 9.00237909 28.74052200 12.58209171 -0.10563215 -0.27725173 -0.27928482 Cu 7.21322225 30.48405678 12.55279256 -0.33108364 0.23999001 0.09737912 Cu 10.74999687 28.74262689 10.74453097 0.14453447 -0.08684227 0.17633805 Cu 12.58575062 30.49265048 10.74756567 -0.33747925 0.20474862 0.36811042 Cu 12.56671489 28.71175488 12.55185348 -0.17295683 0.16236465 0.33049869 Cu 10.74033177 30.47990751 12.60514192 0.39863846 0.39775093 -0.37168965 Cu 14.33986993 28.71112786 10.78198462 0.38801269 -0.17567223 -0.21070496 Cu 16.19092722 30.48658656 10.77992780 -0.25656459 0.38063073 -0.01613488 Cu 16.12353830 28.72936749 12.59578534 0.28011708 -0.28266431 -0.40394898 Cu 14.34875446 30.50738843 12.53304751 -0.06028454 0.15877887 0.23948542 Cu 17.96545576 28.75174387 10.74958646 0.09008525 -0.24441939 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21.52676121 0.44451716 0.40634217 0.10451490 Cu 1.82379542 1.79105812 21.54644716 -0.27248129 0.07558544 -0.08882214 Cu 1.80571250 0.02611856 23.36716919 0.03203819 -0.16317431 -0.12007741 Cu 0.00513751 1.77147219 23.33236038 0.00615430 0.16900594 -0.00725315 Cu 3.55602097 0.02713859 21.55873085 0.25118972 -0.28656601 0.01638171 Cu 5.35085903 1.80905736 21.55104735 0.25111762 0.12245705 -0.09117338 Cu 5.41095157 0.02717585 23.33782483 -0.19483917 -0.13230475 -0.16605863 Cu 3.55776055 1.84769379 23.29891265 0.43017060 -0.28221350 0.41224036 Cu 7.20117108 0.01208895 21.50400864 -0.13842322 -0.24892450 0.10614881 Cu 8.95647645 1.77372720 21.56203457 0.15227604 0.41848531 -0.24179697 Cu 8.96155341 0.00559178 23.33831461 0.10452257 -0.21742390 0.19339095 Cu 7.20157883 1.76522442 23.30433167 -0.30333518 0.42884554 0.18654634 Cu 10.71686936 0.00039478 21.57024536 0.14985367 -0.17971826 -0.34571627 Cu 12.53414882 1.79368377 21.54030904 0.17127142 0.27753846 -0.12464974 Cu 12.53104342 0.02722750 23.30021772 0.23993993 -0.24747026 0.19949128 Cu 10.79382723 1.78538946 23.31854673 -0.24643659 0.22699312 0.29500214 Cu 14.32805238 0.01006863 21.50228474 0.07749885 -0.12787817 0.32332454 Cu 16.11966202 1.81310533 21.55547224 0.17596138 -0.15292663 -0.11349986 Cu 16.16260955 0.01706505 23.34253365 -0.16197133 -0.20195933 -0.11564417 Cu 14.39032175 1.79463168 23.37354124 -0.34145230 0.09547756 -0.24440531 Cu 17.96266351 0.00088605 21.52955034 -0.07935523 -0.01009687 0.00126495 Cu 19.75857298 1.76510116 21.53051286 -0.31811539 0.33915043 0.13547880 Cu 19.74753677 0.03544754 23.36185116 0.03095928 -0.44081046 -0.24574347 Cu 17.96072397 1.76366074 23.36798008 -0.13463341 0.43369014 -0.41267223 Cu 21.53010795 0.02112915 21.52506254 0.09072243 -0.20736081 0.08792448 Cu 23.36150285 1.81693369 21.49147613 -0.43171423 -0.17621784 0.34239345 Cu 23.30671916 0.01918989 23.30812841 0.00321432 -0.12298727 0.12720287 Cu 21.53595146 1.79016569 23.35371514 0.14346397 0.21609959 -0.41405642 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34.11303049 0.17532232 0.03719097 0.12753083 Cu 32.28356270 17.95169355 32.29625518 0.13008773 -0.22702195 0.07300914 Cu 34.07370264 19.73016802 32.31311276 0.24002949 0.04548834 0.24857305 Cu 34.07024244 17.91679085 34.12312040 -0.44539256 0.00932630 -0.52330539 Cu 32.30477341 19.71671594 34.09875976 0.01487624 0.26129353 0.04042822 Cu 0.02373047 21.52516317 32.31535611 -0.18560921 0.07050813 0.05645625 Cu 1.76580781 23.35559438 32.27734170 0.35079521 -0.40121672 0.16024216 Cu 1.79046872 21.52875128 34.06899790 0.07407102 0.14726759 0.17493449 Cu 0.02690032 23.36441865 34.13252722 0.34907158 -0.23157019 -0.43388586 Cu 3.60635964 21.55867508 32.31584781 -0.24133407 0.12636269 -0.04802229 Cu 5.38339993 23.36295126 32.28654461 0.04073348 -0.31816774 0.24000331 Cu 5.40435445 21.52863087 34.08314404 -0.07873442 0.21039182 0.18354435 Cu 3.60151437 23.36693622 34.07829069 -0.19414900 -0.30441410 0.18472812 Cu 7.17468540 21.52016958 32.27736082 0.18552084 0.14568412 0.11432725 Cu 8.98293465 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34.07878990 32.29513141 -0.32193603 0.02953984 0.14451685 Cu 23.29977966 32.27864115 34.12306546 0.06702633 0.23131159 -0.08915888 Cu 21.52579176 34.10478412 34.06903155 0.08495362 -0.47916247 -0.44207831 Cu 25.14599459 32.33632790 32.30675828 -0.14141156 -0.29265816 0.25648842 Cu 26.87532781 34.09266608 32.30442967 0.21459602 0.11421866 0.27739896 Cu 26.89750749 32.27307309 34.13380247 -0.06223098 0.23195625 -0.16831405 Cu 25.07150257 34.09158760 34.13224866 0.09895765 -0.51458841 -0.48360594 Cu 28.68581326 32.27651744 32.27324221 0.19798295 0.23720570 0.18396389 Cu 30.49855317 34.11501762 32.33207773 0.07569134 -0.25564872 -0.08388807 Cu 30.50184038 32.27325939 34.11997465 0.05052544 0.13047526 -0.19884761 Cu 28.70055107 34.08370740 34.08935058 -0.04576054 -0.58481432 -0.51818786 Cu 32.30013526 32.29597600 32.28506076 0.09750106 0.35288435 0.24589091 Cu 34.09247609 34.09542193 32.31743602 -0.65345148 -0.64485319 -0.21140284 Cu 34.08673787 32.34021993 34.12228828 -0.61698412 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