256 Lattice="14.217263031005865 0.0 0.0 0.0 14.217263031005865 0.0 0.0 0.0 14.217263031005865" Properties=species:S:1:pos:R:3:forces:R:3 energy=-779.2417139183194 stress="-0.006047337114325343 0.00031623291849249723 -0.0005003654632603158 0.00031623291849249723 -0.0064033805985973784 -0.00046272484149807074 -0.0005003654632603158 -0.00046272484149807074 -0.006146130119754702" free_energy=-779.2417139183194 pbc="F F F" Cu 0.00859597 0.00133788 0.00149137 0.57274831 0.57361244 0.56614817 Cu 1.79719396 1.75400045 0.01465059 -0.15557243 0.25280055 -0.31329170 Cu 1.77193154 0.00561242 1.78723821 0.07806620 -0.36866324 0.03543300 Cu 0.02891431 1.76153155 1.79248607 -0.33771586 0.21259528 -0.24902322 Cu 3.52566570 0.01080470 0.02542075 0.04394943 0.13595982 0.08068257 Cu 5.36454493 1.75969870 0.02190944 -0.28906437 0.26034914 -0.44238038 Cu 5.27828667 0.01452898 1.76199472 0.20945355 -0.40404237 0.13790653 Cu 3.54863597 1.79207806 1.75820237 -0.22983596 -0.11545555 0.10756926 Cu 7.07921359 0.02750195 0.02117362 0.13848339 0.12203967 0.18338344 Cu 8.90842419 1.77342702 0.00145655 -0.17867937 0.12146481 -0.30595946 Cu 8.86757757 0.02883649 1.74298471 0.15672469 -0.29292606 0.29803193 Cu 7.09884303 1.79504074 1.79469714 0.15381416 -0.00904889 -0.21283647 Cu 10.63500615 0.01721110 0.00450929 0.18494134 0.36511940 0.38993546 Cu 12.44934370 1.81563495 0.02122889 -0.42584942 -0.05648201 0.35477172 Cu 12.44716378 0.01918455 1.78243247 -0.54007650 0.40002806 0.02457135 Cu 10.66956604 1.79972281 1.76153210 -0.11292016 -0.23702971 0.28285307 Cu 0.02059091 3.54311808 0.00393457 0.36626554 -0.01942727 0.39225891 Cu 1.78771212 5.35521725 0.00669018 -0.16583911 -0.08374674 -0.33088127 Cu 1.80782305 3.57443413 1.77292542 -0.29965783 -0.23729335 -0.15737273 Cu 0.00258788 5.34926837 1.79297529 -0.26837463 -0.15108864 -0.13804867 Cu 3.57163582 3.58210348 0.00412342 -0.17898724 -0.30395925 -0.46608162 Cu 5.33539560 5.30002202 0.02838331 0.14385570 0.07017829 -0.57072281 Cu 5.29896038 3.54362669 1.79422909 0.16942454 0.10638970 -0.24317203 Cu 3.55139829 5.35623886 1.75297669 -0.05821882 -0.08500809 0.44318079 Cu 7.12790231 3.54942832 0.00480158 -0.13784680 -0.14145012 -0.25970940 Cu 8.85429470 5.32094070 0.02152589 0.23319172 0.12830174 -0.49502050 Cu 8.90250587 3.58522433 1.77167956 -0.25112864 -0.38131184 0.26422153 Cu 7.07586109 5.34563353 1.77334454 0.34794416 -0.26348958 0.11787331 Cu 10.64654765 3.56227479 0.02662784 0.21039294 -0.08210965 -0.57914463 Cu 12.42133090 5.36410716 0.03335004 -0.04094741 -0.24080488 0.09842956 Cu 12.44627781 3.55060091 1.80813672 0.37814142 0.07163589 -0.23624750 Cu 10.66382019 5.30379670 1.74587376 -0.11302126 0.39179375 0.53953513 Cu 0.02115779 7.14017561 0.04342171 0.02870015 -0.20686035 -0.05975227 Cu 1.80349846 8.85288371 0.02338325 -0.05395935 0.17404070 -0.65179512 Cu 1.75598437 7.12504776 1.77711696 0.41888915 -0.26819800 0.30793061 Cu 0.03296043 8.86074183 1.76558949 -0.61433407 0.36280574 0.28292589 Cu 3.60130025 7.07431462 0.00464773 -0.24218231 0.21459788 -0.45550289 Cu 5.31688830 8.89967474 0.03279530 0.15849795 -0.04024294 -0.45886708 Cu 5.34328230 7.10820556 1.77079917 -0.14377879 0.26096339 0.22472175 Cu 3.53644416 8.88927074 1.74989171 0.10709230 -0.16048160 0.48247347 Cu 7.12431365 7.07776221 0.00191842 -0.20863923 0.24752930 -0.44322157 Cu 8.86300861 8.89599328 0.00887773 0.16167668 0.07412467 -0.46979865 Cu 8.89303602 7.13623178 1.76128573 0.19625882 -0.40715204 0.35667895 Cu 7.14386675 8.86039009 1.78631706 -0.35114361 0.41770297 0.13810893 Cu 10.67263625 7.08555454 0.00165883 -0.16073929 0.27453092 -0.36256045 Cu 12.46051958 8.91671382 0.00510831 -0.41045476 -0.06342385 0.34151832 Cu 12.41007171 7.11265703 1.77287147 0.32083226 0.05230402 0.07054151 Cu 10.63945923 8.89419507 1.75907678 0.15065439 0.07493906 0.24798850 Cu 0.01786140 10.65640824 0.01215593 0.39479089 -0.03165861 0.40876997 Cu 1.79960600 12.42333773 0.01562169 -0.07596296 -0.25976244 0.43150127 Cu 1.77459811 10.64287541 1.76120766 -0.09980616 0.24837489 0.19575200 Cu 0.00269895 12.46191347 1.81555028 0.39574691 -0.49874252 -0.15378998 Cu 3.51881052 10.66775748 0.00569925 0.19207179 -0.00026495 -0.37526782 Cu 5.31412891 12.42170166 0.01365410 0.03670682 -0.29396381 0.32193581 Cu 5.31520321 10.63724220 1.80408184 0.34505260 0.01827739 -0.16869283 Cu 3.56976828 12.40958140 1.80493644 -0.12529034 0.46246975 -0.18270938 Cu 7.08086825 10.65334024 0.00491347 0.19714169 0.16277288 -0.08695592 Cu 8.89746734 12.46846744 0.00493572 -0.05088199 -0.44646464 0.43607255 Cu 8.91275772 10.68856585 1.79241345 -0.29597665 -0.17508620 -0.10127896 Cu 7.09723527 12.42379564 1.80971454 0.13448971 0.23626076 -0.29039947 Cu 10.65156048 10.66452491 0.02755477 0.07233788 0.06196143 -0.45893886 Cu 12.45887182 12.46554028 0.02657310 -0.59420535 -0.57404285 0.49297193 Cu 12.44688173 10.69496885 1.75266628 0.23771984 -0.34144323 0.17490491 Cu 10.69652466 12.40984481 1.78866548 -0.16483279 0.53248829 -0.10157395 Cu 0.01329852 0.05591727 3.57131279 -0.01798936 -0.16880178 -0.15770004 Cu 1.75564919 1.75536015 3.55986591 0.54127419 0.37617349 -0.18682760 Cu 1.78176710 0.03373676 5.30670543 -0.02803988 -0.46301298 0.25569611 Cu 0.01301962 1.77192989 5.30098655 -0.35421347 0.28720213 0.42169150 Cu 3.56228836 0.00832020 3.56679982 -0.10751845 -0.28860025 -0.15035133 Cu 5.29669014 1.80887142 3.52024606 0.09332549 -0.27315392 0.30725340 Cu 5.30773099 0.02113915 5.34871621 0.19352820 -0.45371768 -0.08958859 Cu 3.57160724 1.77216440 5.36075862 -0.30841950 0.38952599 -0.39759845 Cu 7.07657915 0.03276230 3.52234162 0.04558363 -0.39160421 0.12808936 Cu 8.86116450 1.79499564 3.57349258 0.08216903 -0.04833979 -0.40011196 Cu 8.89809393 0.02607287 5.33254618 -0.26939180 -0.42775602 0.05130505 Cu 7.05365690 1.74847179 5.36623333 0.37365910 0.16620528 -0.29818282 Cu 10.63137168 0.02795842 3.57782556 0.26672871 -0.25507079 -0.34187856 Cu 12.46439362 1.78646496 3.51959442 0.10573923 -0.20420669 0.19645133 Cu 12.45702738 0.03179743 5.36490602 -0.39010149 0.28159107 -0.20798205 Cu 10.63209209 1.78182893 5.31311025 0.40185380 0.13460190 0.14863383 Cu 0.02664712 3.55022358 3.53971359 -0.50263240 -0.09319693 -0.13520477 Cu 1.78143225 5.30051304 3.54889714 0.26688515 0.34912723 -0.18574389 Cu 1.78778401 3.58021951 5.30464198 0.14189544 -0.46775834 0.31245081 Cu 0.02798979 5.30342115 5.31060616 -0.49161538 0.13642031 0.31829456 Cu 3.52247968 3.53078003 3.52524582 0.23319734 0.16832176 0.35451825 Cu 5.34252164 5.32427772 3.53225840 -0.22964511 -0.11090295 0.25706973 Cu 5.36361469 3.52758114 5.34436163 -0.32666355 0.30439938 -0.39581174 Cu 3.58731461 5.32913525 5.32590594 -0.20229149 -0.18954979 -0.21413131 Cu 7.07696109 3.53384234 3.51426169 0.21681998 0.18531024 0.34310221 Cu 8.86292764 5.31698666 3.56786282 0.27531570 0.09146738 -0.22070143 Cu 8.85970450 3.52360577 5.30625616 0.13408656 0.24412072 0.26554458 Cu 7.13286898 5.33497451 5.35493490 -0.38663554 -0.04232889 -0.27046373 Cu 10.67127203 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8.90261885 0.17970743 0.20155788 -0.08087709 Cu 10.63557753 12.46627012 8.85227175 0.13176550 -0.02269581 0.24621559 Cu 0.02172141 0.00223748 10.69194315 0.27988830 0.44295292 -0.12893182 Cu 1.82717979 1.74249101 10.63101115 -0.15104828 0.51334810 0.28311189 Cu 1.75932920 0.02594875 12.41480254 0.24689826 0.39898005 -0.24634479 Cu 0.01251755 1.81588973 12.45446932 0.43712916 -0.03963094 -0.47918549 Cu 3.58952787 0.01052770 10.67845344 -0.25152567 -0.29382828 -0.10343075 Cu 5.36513069 1.75702523 10.66680368 -0.56867879 0.37834847 -0.22151573 Cu 5.33420675 0.00320619 12.42573926 -0.08493944 0.16130749 -0.01628100 Cu 3.58701702 1.81207483 12.45422994 -0.34438376 -0.19428403 0.17316443 Cu 7.08243479 0.03205099 10.69475250 0.25836372 -0.77988766 -0.28323753 Cu 8.85369436 1.80452974 10.63509848 0.44918360 -0.35127850 0.13948419 Cu 8.85687990 0.03227843 12.41517497 0.21222998 0.11529792 -0.24433607 Cu 7.09964248 1.76149637 12.41352094 0.10428305 0.21205510 0.71046482 Cu 10.69821317 0.02954637 10.65198962 -0.24354059 -0.23721918 0.09271993 Cu 12.46643136 1.77366381 10.67527663 0.17271949 0.11958192 0.09209150 Cu 12.47052466 0.00989112 12.43023181 -0.61415523 0.59057353 -0.55318940 Cu 10.63113536 1.75494551 12.45219065 0.30387698 0.09584727 0.03370278 Cu 0.00544167 3.51409155 10.64537478 -0.13772394 -0.01639499 0.12013219 Cu 1.76628587 5.33019789 10.64348366 0.12368344 -0.25161273 0.32490905 Cu 1.75808081 3.57331321 12.45560975 0.17656523 -0.26461882 0.02739172 Cu 0.00869031 5.30009181 12.44643872 0.21732257 0.09304128 -0.38197295 Cu 3.58766898 3.58778554 10.68364783 -0.31057036 -0.32761679 -0.31586920 Cu 5.36508746 5.35230158 10.66454547 -0.16081061 -0.15898801 0.01733790 Cu 5.33318522 3.52772630 12.41942366 0.10585862 0.28147347 0.49610045 Cu 3.52954373 5.33621414 12.44745086 0.18288934 -0.14906491 0.36042527 Cu 7.11186128 3.53361016 10.68025006 -0.17168573 0.28172518 -0.26204081 Cu 8.85618390 5.33065136 10.64691839 0.34719104 0.12310021 0.13149082 Cu 8.91691011 3.52905227 12.43160840 -0.17745354 -0.02056420 0.37946638 Cu 7.13567487 5.30741695 12.46339863 -0.13270942 0.06133430 0.27586888 Cu 10.63544859 3.52415668 10.62832446 0.15843757 0.26871894 0.39579689 Cu 12.44409411 5.30394852 10.68154102 0.14177830 0.16927374 -0.06600705 Cu 12.43812644 3.58115190 12.41993928 -0.42089077 -0.25280544 -0.23801733 Cu 10.61943793 5.30130837 12.44816605 0.16760265 0.16129631 0.11776472 Cu 0.02213408 7.08111808 10.62747372 -0.36826434 0.16796356 0.43349110 Cu 1.81192868 8.91910107 10.64700508 -0.15931032 -0.26469958 0.41675805 Cu 1.78866067 7.07643402 12.44075843 -0.24220188 0.23967923 0.22722187 Cu 0.01297456 8.86130530 12.44470240 0.45620379 0.09609163 -0.47653029 Cu 3.54216046 7.08911280 10.69494433 0.12548470 0.21074118 -0.24985359 Cu 5.30145841 8.91952648 10.67862292 0.15477558 -0.19726316 -0.37212520 Cu 5.31204315 7.11583952 12.46265791 0.18190662 -0.17918547 0.28453632 Cu 3.57398682 8.86046819 12.46212501 -0.31451983 0.27613907 0.24728755 Cu 7.09426247 7.11340507 10.69081867 0.07567201 0.21465138 -0.16162502 Cu 8.91552080 8.86264563 10.63754464 -0.13798031 0.14051791 0.19847580 Cu 8.86920423 7.11822966 12.47317065 0.16047885 -0.05452357 0.11629263 Cu 7.09296264 8.87343297 12.46300231 0.19385387 0.21420288 0.07226013 Cu 10.69043631 7.09981214 10.68413290 -0.26075536 -0.05064886 -0.32603055 Cu 12.44869071 8.91309268 10.69828862 0.27600323 -0.12425268 -0.22815319 Cu 12.43765793 7.09827259 12.41370656 -0.22511427 -0.07177845 -0.12134828 Cu 10.66896289 8.87266463 12.42697029 -0.15777906 0.14463775 0.39169515 Cu 0.00045856 10.67919268 10.67582222 -0.11583441 -0.07713990 0.09650912 Cu 1.77784372 12.45084374 10.67203337 -0.08411575 0.30281758 0.09455773 Cu 1.80656946 10.67596719 12.46488376 -0.10706966 -0.20611049 0.11161353 Cu 0.02496499 12.40499053 12.46243039 0.53262557 -0.49174878 -0.52391383 Cu 3.51980570 10.69916432 10.64689102 0.37345536 -0.37408531 0.27312123 Cu 5.27363265 12.45737117 10.63715336 0.28408225 0.24457767 0.31010713 Cu 5.34429492 10.63325435 12.41935399 -0.10559190 0.40192782 0.30043473 Cu 3.54690860 12.44512801 12.45139150 0.04542221 -0.31289113 -0.28048506 Cu 7.09866610 10.68899070 10.62942051 0.01373339 -0.30802779 0.44435797 Cu 8.86394276 12.43251228 10.67090778 0.30508835 0.39846244 -0.10485922 Cu 8.86879296 10.69045174 12.42944704 0.12795736 -0.25499399 0.21121092 Cu 7.11866914 12.45363631 12.41593889 -0.23833705 -0.29246486 -0.28349367 Cu 10.65355417 10.65889069 10.67005389 0.03271010 0.16823526 -0.12321094 Cu 12.44216357 12.41440852 10.62104234 -0.45670934 -0.40177519 0.05177429 Cu 12.42789272 10.63358743 12.45937792 -0.40399928 0.13820511 -0.41115601 Cu 10.69108661 12.45672294 12.42019233 -0.11676455 -0.48894812 -0.46201033