864 Lattice="21.442541942717604 0.0 0.0 0.0 21.442541942717604 0.0 0.0 0.0 21.442541942717604" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2772.9920653819136 stress="-0.005459051431766211 9.382022299593611e-05 0.0001930900183530162 9.382022299593611e-05 -0.005628390599190614 -3.3168306122758596e-05 0.0001930900183530162 -3.3168306122758596e-05 -0.005537987900720963" pbc="F F F" Cu 0.02252024 0.03215960 0.01617125 0.57701175 0.57347127 0.58740245 Cu 1.78365195 1.80734593 0.02737619 0.22056779 -0.19341358 -0.20086631 Cu 1.80375940 0.01496075 1.78898715 0.10938466 -0.10417007 0.01046042 Cu 0.03315928 1.76714744 1.83194250 -0.32229668 0.05889866 -0.31745137 Cu 3.57984713 0.00187926 0.00033394 -0.06920776 0.50824929 0.45860180 Cu 5.33718906 1.82182034 0.00616535 0.17199554 -0.27288458 -0.01035106 Cu 5.32891042 0.00265449 1.81879808 0.05955522 -0.17563747 -0.22106699 Cu 3.60893667 1.80477696 1.82503152 -0.34424918 -0.25784278 -0.19892716 Cu 7.17244240 0.02489751 0.03099022 -0.22427958 0.28931211 0.28194631 Cu 8.89956641 1.82213320 0.01159500 0.13598497 -0.27647644 -0.29383843 Cu 8.90437058 0.01385427 1.82373228 0.38081553 -0.31252440 -0.25778870 Cu 7.16038671 1.75624670 1.80034710 -0.32625213 0.47996796 -0.32071483 Cu 10.73288368 0.02742774 0.03279417 -0.08204528 0.27874743 0.29853909 Cu 12.51006944 1.81761542 0.01873148 0.12552131 -0.26099824 -0.37152489 Cu 12.54052731 0.00006479 1.82012270 -0.20440917 -0.20486944 -0.28184062 Cu 10.72174341 1.76925041 1.75123928 -0.02636808 0.03494415 0.48516490 Cu 14.32445926 0.00760790 0.00381305 -0.13032687 0.26342676 0.36668517 Cu 16.07401782 1.75313983 0.00381034 0.09422913 0.36133000 -0.15143710 Cu 16.11012593 0.01231481 1.81472771 -0.14989087 -0.30842565 -0.20481441 Cu 14.29205493 1.76882250 1.75851237 0.15080117 0.22465057 0.29968263 Cu 17.84445366 0.02222853 0.00353222 0.10335355 0.33425037 0.41227147 Cu 19.68409134 1.76349410 0.00644651 -0.53380961 0.15750098 0.49600954 Cu 19.67882717 0.02772296 1.79040250 -0.53106420 0.39319341 0.03491326 Cu 17.86792791 1.77216709 1.75382315 0.05335989 0.18945561 0.13552020 Cu 0.01113168 3.54081632 0.03566269 0.32879322 0.13953341 0.37964429 Cu 1.82141123 5.38426652 0.01012936 -0.18352042 -0.20148100 -0.19349572 Cu 1.82057880 3.55817665 1.75555229 -0.09246802 0.17850185 0.32998606 Cu 0.04005125 5.37796198 1.81222441 -0.15442823 -0.19984756 -0.17741122 Cu 3.59416873 3.57353970 0.02568502 -0.17044934 -0.03650447 -0.29257836 Cu 5.33486467 5.32812514 0.01893819 0.11746967 0.24292416 -0.26512376 Cu 5.35784475 3.59311615 1.83118242 0.12984085 -0.18926091 -0.32082639 Cu 3.57227234 5.38962628 1.80211639 -0.21819505 -0.30010903 -0.00495201 Cu 7.12403604 3.56402258 0.00075027 0.07841747 0.05758924 -0.09868019 Cu 8.94892824 5.38907046 0.00420327 -0.11068141 -0.18641076 -0.05074048 Cu 8.94372315 3.54692424 1.78015977 -0.26306495 0.19917163 0.02435762 Cu 7.13989064 5.33531090 1.78678089 0.21025702 0.18488034 0.04733595 Cu 10.70086581 3.54723166 0.00405095 0.13667845 0.23718407 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0.44426273 Cu 0.00733748 8.94883141 1.79560400 -0.34704388 -0.21650868 -0.10613569 Cu 3.56204138 7.16228905 0.01171055 0.17886280 -0.10194228 -0.27225785 Cu 5.33107107 8.94053911 0.00191372 0.22049356 -0.16938802 -0.16081164 Cu 5.34380337 7.11627215 1.81833546 0.15460650 0.22669144 -0.30720731 Cu 3.54296571 8.95595376 1.76549640 0.11933356 -0.32930246 0.41374015 Cu 7.12418650 7.15641842 0.01194384 -0.05419007 -0.10126692 -0.15976233 Cu 8.95856667 8.89930562 0.01295961 -0.07099142 0.18944428 -0.28545932 Cu 8.92290014 7.16334549 1.79446719 -0.00590655 -0.47753352 0.07086330 Cu 7.16953033 8.90182484 1.81334581 -0.18665732 0.26704702 -0.19909061 Cu 10.71144467 7.14877464 0.02779613 0.18812766 -0.16547863 -0.32795342 Cu 12.54259260 8.95082488 0.03140512 -0.03759613 -0.14188867 -0.39529960 Cu 12.50505669 7.16016708 1.76648160 0.03046362 -0.13783440 0.24250004 Cu 10.73348317 8.90138995 1.77419853 -0.16592717 0.35240155 0.05836201 Cu 14.30337678 7.12742854 0.00543130 0.01470863 0.29293921 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0.10743715 0.34148619 Cu 3.57717940 12.51715685 1.81601438 -0.13640542 -0.24425821 -0.24097935 Cu 7.18959410 10.67495888 0.01417711 -0.16810936 0.02997634 -0.23511229 Cu 8.90274243 12.53772024 0.00845082 0.09302204 -0.16335303 -0.30792694 Cu 8.95009428 10.74848190 1.76021693 0.00817325 -0.30885258 0.22234602 Cu 7.15473685 12.48069390 1.80199040 -0.20664519 0.25308592 -0.11987023 Cu 10.74583654 10.73810526 0.03329181 -0.20387932 -0.13919792 -0.50967824 Cu 12.52398408 12.51298937 0.02568563 -0.14128498 -0.10606120 -0.49720743 Cu 12.47817629 10.69093495 1.78993311 0.36151504 0.12155032 0.12777302 Cu 10.74503900 12.49443146 1.76584082 -0.36154159 0.17103213 0.18782918 Cu 14.28380371 10.74507182 0.03357801 0.19327326 -0.02898265 -0.19319505 Cu 16.09946724 12.52871244 0.02823173 -0.14731864 -0.24940358 -0.14856910 Cu 16.09290767 10.69703141 1.81591991 -0.10869104 0.41563146 -0.20318380 Cu 14.26241896 12.54036940 1.78827027 0.41800794 -0.47100027 0.24334297 Cu 17.89693440 10.72996633 0.03385696 -0.05954752 0.03289381 -0.14317103 Cu 19.67208934 12.55198677 0.01140053 -0.49490417 -0.15404941 0.45534011 Cu 19.68796764 10.69730551 1.76535009 -0.08504775 0.27153745 0.25322122 Cu 17.83607505 12.53193719 1.83517560 0.33320610 -0.37439302 -0.24197441 Cu 0.00838363 14.32043851 0.00720678 0.36194465 -0.03553091 0.31211958 Cu 1.82864652 16.09410008 0.01389266 -0.11472876 -0.13771073 -0.17898586 Cu 1.79605028 14.29736226 1.76328380 -0.17568904 0.00512904 0.40836229 Cu 0.02183387 16.09527604 1.75735962 -0.13333115 -0.12692860 0.39374711 Cu 3.60305153 14.27163694 0.00910300 -0.01823549 0.13497217 -0.29912968 Cu 5.37426928 16.11559896 0.02731334 -0.25811900 -0.16276046 -0.33466233 Cu 5.32500054 14.31390802 1.79321470 0.50043383 -0.37392876 -0.06296962 Cu 3.59391822 16.04661240 1.82953132 -0.30852404 0.43656252 -0.38883411 Cu 7.16545001 14.32747747 0.00089923 -0.35434567 -0.29904087 -0.15899366 Cu 8.90027479 16.06485220 0.03359479 0.45210199 0.23610825 -0.42836523 Cu 8.93775725 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0.00733794 17.83464342 0.02702330 0.40736148 0.09412776 0.28737010 Cu 1.75724081 19.66395746 0.01073063 0.16797161 -0.48539064 0.49545253 Cu 1.75364840 17.89577504 1.78472497 0.36168538 -0.20215435 0.16696061 Cu 0.03560404 19.64790814 1.81618885 0.23712170 -0.34783800 -0.00159149 Cu 3.51574475 17.85604590 0.01333071 0.27043276 0.21372108 -0.01332813 Cu 5.38988687 19.64424110 0.03265810 -0.16781936 -0.30788144 0.22271992 Cu 5.38023606 17.88470769 1.75428434 -0.08680891 -0.14524728 0.39773118 Cu 3.58857708 19.64924523 1.81786597 -0.17535973 0.10885495 -0.15544009 Cu 7.13128870 17.83888367 0.01518858 0.29447439 0.27945676 -0.29468900 Cu 8.92972834 19.67953559 0.02309298 0.03831972 -0.52199397 0.35007540 Cu 8.90997420 17.83648043 1.80374689 0.22687895 0.31388766 -0.21305718 Cu 7.17989539 19.67551289 1.76441106 -0.13023686 0.02473108 0.19504844 Cu 10.72956651 17.89591057 0.00139882 -0.18391422 -0.21204567 0.00007276 Cu 12.51127570 19.64664674 0.00406825 0.00039250 -0.32812683 0.39005846 Cu 12.48726341 17.88130353 1.79671966 0.15257344 -0.19359929 -0.10641949 Cu 10.70908784 19.64102100 1.80878168 -0.03013933 0.21039001 -0.15968927 Cu 14.32143148 17.88412298 0.02178003 -0.21839036 -0.17107472 -0.18647942 Cu 16.07072744 19.69048485 0.02716710 0.24281843 -0.52357259 0.33162619 Cu 16.07232196 17.84978608 1.80697236 0.27489717 0.07785429 0.00941320 Cu 14.32031165 19.65981797 1.75305972 -0.24227704 0.21577950 0.22209173 Cu 17.88903722 17.84030532 0.03199890 -0.18055035 0.37166492 -0.30866384 Cu 19.66898284 19.63290718 0.00341193 -0.59985224 -0.62106002 0.58837461 Cu 19.65331682 17.87891051 1.80824846 0.34932426 -0.04765974 -0.03674273 Cu 17.89350401 19.61698918 1.77276610 -0.18549299 0.23982455 0.12226822 Cu 0.01029393 0.02322992 3.57031836 0.28775872 0.12963035 -0.02813907 Cu 1.75671701 1.80801931 3.58466659 0.51475417 -0.03659956 -0.12485934 Cu 1.75761320 0.02877404 5.37115203 0.19592828 -0.31899022 -0.03622415 Cu 0.01251763 1.79097719 5.32896817 -0.44838346 0.06639702 0.18168079 Cu 3.53989251 0.01710783 3.60413082 0.10697173 -0.15211571 -0.07827848 Cu 5.41098443 1.80384540 3.54651876 -0.38231807 -0.21131505 0.32187504 Cu 5.39016210 0.01654046 5.36161912 -0.06855218 -0.29146221 -0.10943676 Cu 3.58380856 1.77464736 5.36584357 -0.13766718 0.15091391 -0.16996313 Cu 7.15282460 0.02944763 3.54391914 -0.13313036 -0.51006509 0.31207564 Cu 8.89888642 1.79272921 3.56136303 0.42257401 0.16698455 0.17234500 Cu 8.93932328 0.01117544 5.33685618 -0.11433052 -0.17549005 0.15328880 Cu 7.14394667 1.80175021 5.38151792 0.20959912 -0.15962147 -0.00546947 Cu 10.72460969 0.00392837 3.58319381 -0.08591248 -0.14045451 -0.25874123 Cu 12.51966463 1.77986763 3.56813672 -0.26242104 0.28313674 -0.15126663 Cu 12.47459295 0.01540109 5.33964159 0.24684528 -0.29605773 0.15383120 Cu 10.70212809 1.78829349 5.34964754 0.12290439 0.35925873 -0.13843863 Cu 14.29625736 0.01582065 3.54204847 0.18460603 -0.29882665 0.26359997 Cu 16.09858202 1.78599311 3.56958814 -0.17760800 0.03245769 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0.18729450 Cu 7.13886176 3.55527482 3.58724460 0.26560038 0.21042207 -0.14802686 Cu 8.93743868 5.34294201 3.56712951 -0.28830688 0.10288062 -0.10009135 Cu 8.90291919 3.59363624 5.38115576 0.39621643 -0.20814791 -0.34302882 Cu 7.12400679 5.35229138 5.39474242 0.13808140 0.27607079 -0.46421738 Cu 10.69332895 3.58964421 3.54149313 0.15530920 -0.60893628 0.30372328 Cu 12.47386595 5.33242067 3.59675242 0.29045013 0.37531135 -0.42454470 Cu 12.52566160 3.59120559 5.33612596 -0.37613990 -0.28060595 0.31812568 Cu 10.72906193 5.36284700 5.33449298 -0.11283603 -0.13247825 0.33228372 Cu 14.27187466 3.61085450 3.60397459 0.19698485 -0.33670549 -0.49970593 Cu 16.09714363 5.36954144 3.59598062 -0.30587384 -0.09199484 -0.21262725 Cu 16.07468889 3.54232866 5.34433404 0.05777399 0.24177785 0.16828140 Cu 14.28544480 5.34677680 5.35948270 0.22410050 0.25953323 0.15482327 Cu 17.88724178 3.54899953 3.56108339 -0.19053398 -0.00591136 0.06461613 Cu 19.65254025 5.38569976 3.54535881 0.35416038 -0.15761090 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19.62132501 -0.10350253 -0.40154968 0.28801948 Cu 3.57482844 12.52302636 19.66885725 -0.22657871 -0.21151258 0.08207072 Cu 7.16928654 10.73898812 17.87443864 -0.36004039 -0.33269083 -0.29263541 Cu 8.93396691 12.48260389 17.84315410 0.13116667 0.23190544 0.06096305 Cu 8.95545357 10.75495875 19.64164850 -0.06893591 -0.30178108 0.31082929 Cu 7.11218137 12.47362338 19.63766267 0.25827348 0.28851934 0.30570000 Cu 10.72383308 10.68830134 17.86854228 0.01640944 0.17109102 -0.08416960 Cu 12.50880070 12.50989110 17.83624825 -0.15773145 0.00035893 0.15334452 Cu 12.47346542 10.73085881 19.65868418 0.14280905 -0.08113082 0.16695055 Cu 10.70133585 12.49128118 19.64471873 0.28791991 0.28144102 0.07264001 Cu 14.29595734 10.68923943 17.87968578 -0.10670822 0.20475927 -0.21204181 Cu 16.05439615 12.53223421 17.85709118 0.22182398 -0.32826260 -0.08623621 Cu 16.10661044 10.67002743 19.63677820 -0.12337500 0.19622270 0.23982775 Cu 14.27174007 12.46604531 19.65179904 0.08965505 0.04535670 0.19420879 Cu 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0.00275896 0.00489890 Cu 8.94262255 14.26323122 19.66753823 -0.18487490 0.16323307 0.08685444 Cu 7.11310631 16.12978829 19.62487375 0.21284211 -0.10513443 0.24932022 Cu 10.68748841 14.32825927 17.86000395 0.34137496 -0.23229675 0.24103921 Cu 12.52089285 16.11066122 17.85268987 0.00362768 -0.12414221 0.20301721 Cu 12.53510146 14.33458767 19.63850721 -0.25789505 -0.13402961 0.15227411 Cu 10.69481806 16.11226842 19.65713240 0.18715369 -0.19054007 0.25017116 Cu 14.29225722 14.29019553 17.89944312 -0.05871219 0.11702166 -0.35580284 Cu 16.08453912 16.08293183 17.83315562 0.23311188 0.05983214 0.19870838 Cu 16.04623393 14.29018584 19.64531641 0.21136049 -0.03854565 0.28046924 Cu 14.33866524 16.11635070 19.65411454 -0.21516093 -0.21936574 0.27423044 Cu 17.87684705 14.26501249 17.89683988 -0.16066859 0.29331216 -0.22139777 Cu 19.63068327 16.11539024 17.88943061 0.16705707 -0.21391875 -0.09636655 Cu 19.64436691 14.31716879 19.66239095 -0.31668765 -0.08196931 -0.34097483 Cu 17.85411495 16.05209676 19.68221770 -0.06744405 0.17002005 0.01996696 Cu 0.01924317 17.84358808 17.84844325 -0.09562468 0.03348219 0.18330820 Cu 1.74704321 19.68759063 17.85373580 0.15119046 0.05991059 0.26669520 Cu 1.81407073 17.87518658 19.63138862 -0.28273236 0.08030415 0.24605680 Cu 0.01900719 19.65641493 19.67597059 0.64073951 -0.70012745 -0.69656736 Cu 3.52287336 17.86423257 17.89682066 0.30562581 0.08692238 -0.21692527 Cu 5.32516236 19.65245865 17.89555459 0.11791290 0.07007571 -0.28320603 Cu 5.32837362 17.90347635 19.63705103 0.03834610 -0.23174925 0.18885190 Cu 3.59610359 19.67975597 19.68964531 -0.27615003 -0.37545527 -0.49245666 Cu 7.18280093 17.88339056 17.84148460 -0.55868506 -0.14326229 0.08752716 Cu 8.90756615 19.62764781 17.90138905 0.35643206 0.40696913 -0.14430671 Cu 8.96239321 17.89264174 19.65193852 -0.27629462 -0.14248063 0.29293017 Cu 7.12317534 19.63692760 19.65461850 0.01334216 -0.33116042 -0.31117335 Cu 10.75060122 17.85670327 17.90167017 -0.22087185 0.24199549 -0.41284615 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