500 Lattice="14.198056660254327 0.0 0.0 0.0 14.198056660254327 0.0 0.0 0.0 14.198056660254327" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-4610.290065103986 pbc="F F F" Cu -0.01687226 0.01752171 0.01086943 29 -2.12867410 -2.59196848 -2.50163196 Cu 1.42149292 1.43145812 -0.00338730 29 2.53055376 1.86271321 -5.62283698 Cu 1.43001364 0.02691348 1.42411582 29 1.84860690 -5.88115504 1.02526439 Cu -0.01408352 1.41193002 1.40941477 29 -5.62661589 2.41094049 2.16561319 Cu 2.87979295 -0.02698686 -0.01257570 29 -0.40529703 -3.33449708 -3.39573140 Cu 4.24913662 1.40355798 0.02047993 29 0.07769916 3.78109472 -4.90343217 Cu 4.26125182 0.02294266 1.40514715 29 0.11127207 -5.37603653 3.39215578 Cu 2.82029047 1.41171273 1.41142669 29 2.14986160 4.62595685 2.87373869 Cu 5.67179571 0.02171933 -0.01932422 29 0.75258503 -3.23014593 -3.10349852 Cu 7.13602714 1.41177628 -0.01423429 29 -1.17845376 2.81834236 -4.08824014 Cu 7.12251215 0.01658166 1.41444760 29 -0.86651631 -4.58892465 2.53920821 Cu 5.66600593 1.39416944 1.44718791 29 1.59590335 4.04740415 2.43398675 Cu 8.56472297 -0.00815233 0.02347271 29 -0.49710429 -3.76498967 -3.82599816 Cu 9.95385528 1.42742690 0.01648608 29 -1.64889935 2.09221848 -5.27079440 Cu 9.95845742 -0.02633520 1.44008975 29 -0.87335065 -4.85997288 2.14338365 Cu 8.53682607 1.40254389 1.39889031 29 -0.66687331 4.78631059 4.00725722 Cu 11.38647443 -0.02351761 0.01332229 29 -2.46183979 -3.95761206 -4.62356512 Cu 12.78467122 1.43144554 -0.02315915 29 3.67542389 1.68550390 -3.78062403 Cu 12.75261593 0.00740461 1.41187998 29 4.81617606 -4.04739550 2.05074696 Cu 11.34555519 1.39842436 1.39441711 29 -1.93731520 3.84154815 3.56696648 Cu -0.01262498 2.84662334 0.00584677 29 -3.16432517 0.56227712 -3.89585440 Cu 1.41580590 4.28836366 -0.00089581 29 2.45922304 -0.61042219 -3.96693527 Cu 1.39810693 2.81478253 1.43576358 29 4.38730545 2.90208104 2.19906029 Cu -0.01912265 4.23531866 1.39862367 29 -3.55436826 1.27407996 4.25345438 Cu 2.83992681 2.86385121 -0.00737080 29 0.88874588 0.12025733 -3.40824732 Cu 4.23527321 4.24236571 -0.02419572 29 1.51300699 1.12495060 -2.84009545 Cu 4.30792530 2.82036780 1.43060663 29 -1.03721541 2.86724067 4.16622323 Cu 2.84997155 4.23460154 1.40863400 29 1.30387147 0.83202227 4.69654244 Cu 5.65150356 2.82127878 -0.02695237 29 1.03841472 1.04871934 -3.24522822 Cu 7.07094758 4.26121296 0.01439560 29 0.28297295 0.62358270 -3.60050969 Cu 7.07753575 2.81941253 1.42488490 29 0.55873953 1.83984059 3.44701289 Cu 5.69764409 4.25783658 1.42024937 29 -0.97187443 0.60806451 4.48189954 Cu 8.49463787 2.85824278 -0.01302381 29 0.40957987 1.15026805 -3.13591949 Cu 9.95807932 4.25356302 0.01703506 29 -1.22575329 0.47924843 -3.85229741 Cu 9.95882046 2.81908190 1.43984640 29 -2.30636950 2.52507855 3.12952170 Cu 8.52649186 4.26195980 1.40043241 29 -1.02356825 -0.97908496 4.55151584 Cu 11.33127262 2.83283666 -0.00525045 29 -1.62609103 1.56176312 -4.30838772 Cu 12.78402173 4.23270616 -0.00526055 29 2.63995976 0.67819528 -3.35875821 Cu 12.79240117 2.84941275 1.39569563 29 3.72934062 1.00200711 3.03024071 Cu 11.33368428 4.28321185 1.44292181 29 -2.31361050 -0.81884241 3.14447306 Cu -0.02727477 5.66380681 0.02311160 29 -3.28202750 0.80796029 -3.06275573 Cu 1.39335846 7.11330846 0.00847823 29 3.33103977 -1.05179386 -5.08597759 Cu 1.42702142 5.70448444 1.41063169 29 3.55400778 -1.60158127 4.14314826 Cu 0.00981456 7.12283519 1.44072908 29 -5.32269416 -1.37370016 2.07279010 Cu 2.81863786 5.67595210 -0.01722678 29 1.77263723 0.52578229 -3.20287207 Cu 4.24501585 7.08461346 -0.01501968 29 0.88881932 0.57611652 -2.78835787 Cu 4.25722371 5.66888078 1.41121910 29 0.26691336 0.33270102 4.24232838 Cu 2.82823092 7.12758615 1.40189383 29 2.77820872 -1.59278316 4.51310900 Cu 5.66785973 5.68240509 -0.00010287 29 0.40886007 -0.37569794 -3.31957518 Cu 7.10525314 7.09664911 -0.00409971 29 0.88358237 -0.95448438 -3.50134370 Cu 7.12660950 5.65328050 1.44420749 29 -0.90244746 0.91575570 2.82782190 Cu 5.70455319 7.05986537 1.39842078 29 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4.26451379 9.94538808 -0.01913551 29 0.48632454 -1.53991447 -2.85054301 Cu 4.25148139 8.52783199 1.43933109 29 1.43564384 -0.67540940 3.43927467 Cu 2.82539349 9.94439565 1.40706243 29 2.32829290 -1.53961296 4.10025759 Cu 5.69981933 8.51510134 0.01227332 29 -1.30367243 -0.91336383 -3.56977450 Cu 7.07590726 9.95207251 0.00594520 29 1.01821331 -1.42177995 -3.99207713 Cu 7.08745431 8.49086424 1.39609972 29 0.85508070 0.26742149 5.38025665 Cu 5.70821727 9.92017521 1.41644125 29 -1.35599936 -1.53557415 5.15119619 Cu 8.54171583 8.55384761 -0.01709138 29 -1.80160189 -1.30850940 -3.40153346 Cu 9.94648592 9.92498551 0.01963328 29 -0.75179033 -0.02616064 -4.41674997 Cu 9.93550820 8.54100367 1.39781490 29 -1.46753827 -1.46953892 5.54661165 Cu 8.51078539 9.93630682 1.41733921 29 -1.05336601 -0.97834109 4.36809593 Cu 11.37639404 8.49433558 0.02272535 29 -2.85281211 0.99210942 -4.99054148 Cu 12.80125059 9.94332004 0.01173418 29 3.30195453 -1.28248206 -3.70692065 Cu 12.79440682 8.54127609 1.43769231 29 4.78937205 -0.67599125 2.35418524 Cu 11.36254304 9.93349913 1.42391892 29 -3.10992767 -0.94237530 3.33340070 Cu -0.00887338 11.33914637 0.01839520 29 -3.47801846 -1.09816848 -3.56820057 Cu 1.42748824 12.78980979 0.00624393 29 1.18757783 3.51719085 -3.60600205 Cu 1.42009332 11.36672490 1.44241126 29 2.41889625 -3.66246091 2.21780005 Cu -0.01156841 12.80326407 1.44387476 29 -3.80904192 3.65591251 0.83224981 Cu 2.84306229 11.36735749 -0.00668371 29 1.25217457 -2.42454091 -4.16361584 Cu 4.25623134 12.79468997 -0.02309472 29 0.46574630 2.99072595 -2.77506297 Cu 4.27848374 11.38077976 1.43583503 29 -0.26826488 -4.57198146 2.77037155 Cu 2.83855818 12.77721247 1.43307104 29 1.27786421 4.61409271 2.01024702 Cu 5.67975563 11.35591303 0.01473700 29 -0.18949176 -2.12268959 -4.53749385 Cu 7.11885963 12.77813131 0.00914285 29 -0.99425441 3.19200570 -3.57853144 Cu 7.08112788 11.35024512 1.43097820 29 0.73242236 -3.45145466 3.90846012 Cu 5.67961686 12.77267167 1.43098060 29 0.28884606 4.84247714 2.47931923 Cu 8.52676279 11.36992307 -0.00425469 29 -0.15985684 -3.51097914 -3.96820533 Cu 9.95567152 12.77073673 -0.01295054 29 -1.06959196 3.28164048 -3.07195234 Cu 9.96415609 11.35196497 1.44344955 29 -2.35519280 -3.34567317 2.16510608 Cu 8.48799636 12.77596596 1.40475290 29 0.83925196 4.30781409 3.43639709 Cu 11.37470243 11.34836859 -0.02302680 29 -3.15395502 -2.78456416 -5.35453576 Cu 12.76264564 12.75692731 0.00432150 29 2.74849764 3.07154861 -2.77771699 Cu 12.76434975 11.36169865 1.39499393 29 5.39894036 -2.26655699 3.16149641 Cu 11.34998822 12.75459535 1.41557452 29 -2.10564678 5.74989699 2.12046577 Cu 0.02543550 0.02217545 2.83019164 29 -4.00202258 -4.11399427 0.66752805 Cu 1.41682648 1.43671427 2.82526406 29 3.83253588 2.61668005 2.18798033 Cu 1.40648740 -0.00672660 4.25446316 29 3.29931845 -4.24758499 0.67532680 Cu 0.00593112 1.40499415 4.24614499 29 -4.63364614 3.12086364 0.63957768 Cu 2.81522543 0.01157649 2.81229841 29 2.12349662 -4.05639518 2.70976492 Cu 4.23577380 1.41884877 2.82807129 29 0.76581842 3.84328653 2.66238507 Cu 4.29458844 0.00166648 4.24733242 29 -0.95774286 -3.22472962 0.23515676 Cu 2.81979972 1.43768484 4.28197140 29 2.52682343 2.22333829 -0.28303858 Cu 5.67027708 -0.02399460 2.81410358 29 0.97952331 -3.20469299 2.24910717 Cu 7.11922979 1.41638620 2.84387731 29 -1.08542861 3.71304335 1.85320523 Cu 7.12731387 0.00768885 4.26232827 29 -1.11975709 -3.66181056 -0.62683280 Cu 5.65562424 1.42019911 4.28558507 29 1.30123604 3.91291013 -1.74035210 Cu 8.54024677 0.01297545 2.82146736 29 -0.60014342 -4.16996497 1.64879518 Cu 9.96346190 1.42501821 2.81358632 29 -1.52130950 3.90710867 3.47701973 Cu 9.96033355 -0.01439886 4.25297070 29 -2.05157262 -2.91115192 1.08621075 Cu 8.52578984 1.39505657 4.23190717 29 0.47117861 5.73986283 2.03392369 Cu 11.36989026 -0.01184394 2.84849242 29 -2.51915992 -4.28742862 1.24908018 Cu 12.75571466 1.43542946 2.81383104 29 4.97001191 2.07808793 1.53078458 Cu 12.75056092 0.00546398 4.28197203 29 4.35644123 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2.82247873 29 -0.62563500 1.87706544 2.28234496 Cu 9.91059342 4.25008792 2.82820590 29 -1.09142392 0.54583264 3.20280542 Cu 9.95013315 2.86607287 4.29469706 29 -3.29214703 0.56690688 -0.41856637 Cu 8.49051221 4.23954198 4.27009864 29 0.37768051 0.85598563 1.07095110 Cu 11.38291656 2.83826101 2.84805394 29 -4.54808309 2.15300681 1.13575731 Cu 12.80576046 4.25587565 2.85964497 29 3.14790843 0.48010048 0.80262126 Cu 12.78265102 2.84280730 4.27044256 29 4.46011272 1.04512747 -0.03039266 Cu 11.36417825 4.23838711 4.28300839 29 -4.77140988 1.88674775 -0.82439596 Cu -0.01190857 5.70613903 2.83637319 29 -3.27705897 -1.53069514 1.07276931 Cu 1.42794671 7.06251946 2.81450204 29 4.40911691 0.72331677 2.97910810 Cu 1.44295423 5.70695040 4.26313409 29 3.14268693 -1.07439206 0.83480325 Cu 0.02609276 7.08305484 4.26236807 29 -3.38864278 0.72897924 0.99448737 Cu 2.85998475 5.65119156 2.85474145 29 1.33203342 1.21750449 0.57666581 Cu 4.26396571 7.10218530 2.81804821 29 0.61319593 -0.32383300 2.48110883 Cu 4.26109443 5.68563551 4.25463737 29 1.13026051 0.35969948 1.12823850 Cu 2.83387171 7.08043523 4.24845730 29 2.79096326 1.27779107 0.96663964 Cu 5.70793556 5.67609776 2.84329985 29 -0.39650636 0.30132364 2.61141688 Cu 7.08392986 7.10906471 2.82084728 29 0.51912331 -0.49644243 2.72009049 Cu 7.11927752 5.66695977 4.28483325 29 -1.30281932 0.89536585 -0.13734544 Cu 5.68664683 7.12470749 4.25099917 29 -0.11035261 -1.63966999 0.83064532 Cu 8.49754983 5.65689576 2.81892590 29 0.13113274 1.04800017 3.53924698 Cu 9.95197177 7.08831392 2.83060594 29 -2.35438166 0.56399201 2.91108901 Cu 9.93198873 5.65603919 4.26504081 29 -1.48036813 0.67699242 -0.59459759 Cu 8.49758764 7.08180655 4.23452644 29 0.39724675 0.96704497 0.83508566 Cu 11.35461976 5.68243759 2.81569699 29 -3.78848695 -0.10730899 3.49940952 Cu 12.78196163 7.09116428 2.81126917 29 3.61415493 -0.40910731 2.57166764 Cu 12.75166657 5.65924642 4.27655829 29 2.92801817 0.91272468 0.18656364 Cu 11.36009618 7.12306926 4.27959981 29 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9.95375345 9.93501319 2.82834025 29 -2.61642643 -1.70479085 2.00869188 Cu 9.96297732 8.54141303 4.26211040 29 -3.46119660 -1.74038501 0.48940411 Cu 8.49384658 9.94106828 4.26222209 29 0.51758623 -2.51144120 0.39409543 Cu 11.38597102 8.53074890 2.84732613 29 -4.65363725 -0.96568255 1.53900739 Cu 12.80167592 9.96465587 2.81594417 29 3.78055544 -0.76257110 2.20125737 Cu 12.80157433 8.53514630 4.25789595 29 3.18645653 -0.40864029 0.42692435 Cu 11.34749246 9.94247596 4.23733368 29 -2.95427901 -1.31172955 1.35203382 Cu 0.00586088 11.38293802 2.84608665 29 -4.42294763 -4.12999985 1.04109462 Cu 1.40892003 12.77431147 2.83004468 29 2.84005792 5.17288053 2.07545092 Cu 1.43411334 11.37049520 4.27857059 29 3.07251306 -3.89984969 -0.96199449 Cu -0.01848391 12.78896956 4.28238989 29 -3.29758697 3.48088108 -0.51700347 Cu 2.82162174 11.36150712 2.84705229 29 2.13721870 -3.89570107 1.75501430 Cu 4.24117791 12.79042460 2.83866604 29 0.87947552 3.34371535 1.89744468 Cu 4.26165921 11.37370773 4.30225785 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