500 Lattice="18.47093858351809 0.0 0.0 0.0 18.47093858351809 0.0 0.0 0.0 18.47093858351809" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1291.9264936873894 stress="-0.004210855625749855 -0.0003447389475609066 -2.819918498754934e-05 -0.0003447389475609066 -0.003976420282937251 -0.0001435137836259759 -2.819918498754934e-05 -0.0001435137836259759 -0.0043176993729696425" free_energy=-1291.9264936873894 pbc="F F F" Cu 0.01490096 0.01466842 0.01587176 -0.34403561 -0.35009760 -0.38687500 Cu 1.85392328 1.87254601 0.03596368 0.51417611 0.39348221 -1.29672631 Cu 1.88135794 0.03309793 1.81301356 0.19618969 -0.98996484 0.94820916 Cu 0.02962583 1.87105867 1.82338852 -0.96994798 0.30652473 0.83721816 Cu 3.67574646 0.00557440 0.02825768 0.16440332 -0.68279975 -0.82303680 Cu 5.52007657 1.81681407 0.00829448 0.18047067 0.51432966 -0.74364417 Cu 5.51480706 0.00715065 1.87335490 0.13496521 -0.79360415 0.28813030 Cu 3.68712132 1.84480152 1.81107735 0.20853788 0.72114850 1.32095915 Cu 7.41448109 0.03121666 0.03651079 -0.13390443 -0.69070552 -0.58186852 Cu 9.22503866 1.87363671 0.01685286 0.10031118 0.19876639 -0.97412125 Cu 9.26661777 0.00080192 1.84560839 -0.15562734 -0.74924198 0.50038508 Cu 7.39542709 1.84354923 1.82501139 -0.16231813 0.84645837 0.99080056 Cu 11.08620494 0.00115711 0.00072887 -0.02602442 -0.42632877 -0.65572893 Cu 12.94301633 1.87095895 0.02329875 -0.21783185 0.24718539 -0.93683314 Cu 12.89885022 0.03670557 1.84605188 0.06698015 -0.84690324 0.50297037 Cu 11.06145734 1.83931567 1.81899302 0.21050016 0.76306494 1.08108547 Cu 14.80504231 0.01671405 0.02610935 -0.54598173 -0.70081645 -0.69668120 Cu 16.66072446 1.83804995 0.02552967 0.53696082 0.57772862 -0.63983049 Cu 16.64310893 0.00623538 1.84664941 0.61401838 -0.65155086 0.48906500 Cu 14.77359780 1.83455808 1.81307883 -0.37496406 0.76027719 0.89676554 Cu 0.01496702 3.68331104 0.00552537 -0.61076889 0.18654285 -0.58989643 Cu 1.81362488 5.55338287 0.00582181 0.85896919 -0.26637247 -0.70710064 Cu 1.85987149 3.66185974 1.84531277 0.51712723 0.67505558 0.88986252 Cu 0.01176760 5.56930670 1.82817894 -0.70290868 -0.49365893 0.76991631 Cu 3.72854793 3.68005755 0.00429393 -0.36718755 0.20657927 -0.75135025 Cu 5.51000063 5.51093226 0.01865537 0.48954055 0.17340470 -0.48349294 Cu 5.50517318 3.67985034 1.84115264 0.44986436 0.09267192 0.96489736 Cu 3.70274984 5.51991457 1.84840788 -0.15103792 0.22251822 0.83176828 Cu 7.36543799 3.66468907 0.00313455 -0.01042742 0.29666014 -0.57454738 Cu 9.27207692 5.52666486 0.02730817 -0.34583287 0.21756435 -0.67046195 Cu 9.26165229 3.65806836 1.81800181 -0.12391137 0.36589435 1.30368668 Cu 7.42494689 5.50098876 1.84572677 -0.29417899 0.32816274 0.58810702 Cu 11.07295644 3.67171841 0.02256238 0.28768267 0.25400465 -0.77110946 Cu 12.91953991 5.56234778 0.01578030 -0.04568799 -0.17196724 -0.65331331 Cu 12.92832639 3.67587489 1.83782507 -0.35558403 0.39404688 0.90862792 Cu 11.08279690 5.57413923 1.81501834 0.21851256 -0.33186944 1.13641650 Cu 14.75400838 3.69756243 0.02986280 -0.11049739 0.15844129 -0.87702870 Cu 16.65937980 5.56596092 0.02519455 0.29278046 -0.14631312 -0.53630698 Cu 16.62536352 3.70426824 1.85162679 0.63041414 -0.16400107 0.42142749 Cu 14.75168607 5.51531620 1.84502982 -0.48658904 0.33272831 0.85731739 Cu 0.02074329 7.42429691 0.03535003 -0.82572182 -0.08364149 -0.80691344 Cu 1.84690630 9.20549988 0.03130173 0.89122646 0.21764097 -0.70500751 Cu 1.82207013 7.36765625 1.83943508 1.26352340 0.06448210 0.84213923 Cu 0.01371641 9.22129910 1.86515128 -0.83672854 0.26602320 0.51584988 Cu 3.71996846 7.33215614 0.02698432 -0.32402536 0.17040129 -0.58772056 Cu 5.47314588 9.20209988 0.03195820 0.31243219 0.36058063 -0.79323653 Cu 5.53735087 7.41622482 1.85855945 0.25045402 -0.60416547 0.95004882 Cu 3.73154147 9.21163632 1.86595452 -0.48223693 0.10620090 0.64226680 Cu 7.35711504 7.39326398 0.02972624 0.17281419 -0.22774874 -0.50349394 Cu 9.25663941 9.20059464 0.03644694 -0.07030156 0.32536245 -0.83532123 Cu 9.25964185 7.42301426 1.86157983 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0.01228702 0.14204303 -0.28068369 -0.47711857 Cu 5.53883663 12.95931101 0.00727516 0.11978247 -0.29013571 -0.68358113 Cu 5.56164046 11.07377617 1.84510270 -0.14826590 0.20846051 0.69149420 Cu 3.75328098 12.94177724 1.85474727 -0.52622260 -0.25202222 0.59353737 Cu 7.37105812 11.06753124 0.00047315 0.04816359 -0.03150633 -0.68716342 Cu 9.25214540 12.94884963 0.00505676 -0.08366022 -0.24402850 -0.72242531 Cu 9.20882274 11.05180718 1.84858256 0.31409208 0.15051076 0.85288505 Cu 7.42810734 12.91811354 1.81982056 -0.31735426 -0.25592845 1.10972873 Cu 11.11567267 11.13411085 0.02214014 -0.30128288 -0.28390320 -0.77310752 Cu 12.94031122 12.94962670 0.00262719 -0.04846429 -0.19063226 -0.47750466 Cu 12.90346053 11.05696602 1.86727174 0.15605551 0.33580750 0.77282095 Cu 11.04854586 12.91951806 1.82845550 0.11627129 0.01770526 1.36399227 Cu 14.74334175 11.08942753 0.03240154 -0.39033016 -0.32769404 -0.81119127 Cu 16.62384399 12.88793561 0.03287231 0.54014857 0.26550743 -0.65821377 Cu 16.62869352 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1.84906178 16.59418643 0.08532412 0.54779082 0.66480504 Cu 11.10165072 0.03340532 14.77165886 -0.16968322 -0.83172237 -0.55478446 Cu 12.94987745 1.86147956 14.76178089 -0.26718555 0.76788254 -0.43722667 Cu 12.89924946 0.00814392 16.59823992 0.26047923 -0.59228892 0.64914427 Cu 11.11680659 1.81466038 16.63410554 -0.26637455 0.84072935 0.54328613 Cu 14.75410567 0.00896381 14.79474968 -0.31361649 -0.83952881 -0.59175209 Cu 16.61863696 1.82722413 14.78263383 1.01250188 0.51660799 -0.47590281 Cu 16.60086071 0.03251232 16.64558441 0.34407279 -0.39728293 0.36706369 Cu 14.78459167 1.87623907 16.60701947 -0.69251985 0.32469966 0.88955354 Cu 0.02952523 3.71906513 14.74792793 -0.97563626 -0.18177348 -0.26617708 Cu 1.84014075 5.52065992 14.76421692 0.94524798 0.22989651 -0.39510476 Cu 1.81437363 3.70620660 16.60840274 0.78911485 -0.10855033 0.78426171 Cu 0.02413962 5.56443238 16.60711537 -0.61454391 -0.00451939 0.55791346 Cu 3.66879315 3.66743113 14.79341284 0.23518178 0.35119619 -0.77794954 Cu 5.50598670 5.52586303 14.74514170 0.22573080 0.29076955 -0.59125163 Cu 5.60144853 3.72446730 16.59353091 -0.45982996 -0.31983856 0.62160020 Cu 3.71369605 5.51396599 16.64870223 -0.09186969 0.23985699 0.35996743 Cu 7.42202307 3.69188690 14.80393952 -0.08523516 0.27405796 -0.96475417 Cu 9.25736123 5.59268438 14.80703536 -0.31768703 -0.48080274 -1.00768379 Cu 9.28805450 3.70075535 16.60739386 -0.20773629 -0.11579207 0.57203929 Cu 7.36670886 5.53164113 16.63179706 0.34557744 0.25164233 0.40184919 Cu 11.07709368 3.72502003 14.75386887 0.10450812 -0.16627808 -0.49135026 Cu 12.92223258 5.56009915 14.73990373 0.41706915 -0.42594607 -0.13193422 Cu 12.89454531 3.66121540 16.65178390 0.17690774 0.56134008 0.20033261 Cu 11.05405109 5.55741576 16.59764422 0.56124841 0.03774341 0.68821073 Cu 14.81329730 3.67194584 14.76057325 -1.01801645 0.69665825 -0.37368269 Cu 16.64280737 5.53355796 14.75508569 0.57057126 -0.19603562 -0.30070598 Cu 16.64734448 3.66813639 16.64565311 0.47516417 0.20023162 0.37984192 Cu 14.81273326 5.56503761 16.59643472 -0.78970192 -0.23587869 0.48449784 Cu 0.01353489 7.40145564 14.77930027 -0.91128063 -0.17015567 -0.43450442 Cu 1.83449522 9.22497868 14.76820159 0.98506326 0.50313778 -0.68724851 Cu 1.83683084 7.42524438 16.58740323 0.53583024 -0.29165499 0.92998822 Cu 0.00894211 9.29529132 16.61325983 -0.61298464 -0.24429421 0.56343804 Cu 3.65725903 7.41084288 14.80781961 0.62620072 -0.28937305 -1.04316119 Cu 5.52043756 9.25707157 14.74555029 0.32317370 -0.27631347 -0.41715707 Cu 5.57321466 7.40939347 16.64002671 -0.22444479 -0.10498034 0.21450071 Cu 3.68840050 9.23997758 16.58850336 0.11914392 0.34329708 0.61162109 Cu 7.39265856 7.37773195 14.76007307 -0.27968115 0.26106780 -0.44624588 Cu 9.21668023 9.26473447 14.79635424 0.18764751 -0.13128627 -0.98392237 Cu 9.25759431 7.39554980 16.59006102 -0.17645700 0.30284936 0.70142968 Cu 7.37793812 9.25776694 16.64962732 0.13662839 -0.14379584 0.35336946 Cu 11.10514109 7.38449970 14.75571578 -0.40596105 0.40886515 -0.34979965 Cu 12.90077996 9.20524162 14.76347622 0.30608914 0.32820517 -0.64110986 Cu 12.94259214 7.41794307 16.59678132 -0.12794882 -0.31334317 0.57483997 Cu 11.11080578 9.28352529 16.65076140 -0.17394807 -0.23680801 0.35496825 Cu 14.80379176 7.41504224 14.75279214 -1.04955799 -0.36338140 -0.43051718 Cu 16.59432907 9.20737099 14.77864577 0.84131218 0.51474839 -0.46804799 Cu 16.63619612 7.42220556 16.62408289 0.51966274 -0.16171066 0.48967809 Cu 14.77454895 9.24159332 16.65047267 -0.54340448 0.05745866 0.51500925 Cu 0.03033165 11.10576461 14.79768510 -0.93628147 -0.21547755 -0.65902637 Cu 1.84560833 12.90826474 14.77376077 1.06125125 0.42550117 -0.47088669 Cu 1.82295938 11.11094211 16.63352724 1.13462355 -0.16560734 0.59008407 Cu 0.03239230 12.93100129 16.60952601 -0.88138676 0.09369607 0.55427623 Cu 3.72578564 11.12591820 14.74270941 -0.32255609 -0.35977367 -0.29549385 Cu 5.52040776 12.88449318 14.79067078 0.11463469 0.46100043 -1.07864908 Cu 5.55671582 11.08869500 16.62915721 -0.29007816 -0.22935616 0.66631427 Cu 3.73007249 12.94137553 16.65608173 -0.35013562 -0.24605759 0.42597594 Cu 7.35520887 11.08530729 14.79960644 0.36658805 -0.12947628 -1.05920317 Cu 9.22319926 12.93439452 14.76249713 0.16064882 -0.39328430 -0.69853125 Cu 9.25306601 11.10829151 16.62363463 -0.23234553 0.01791844 0.47064677 Cu 7.34620659 12.94080682 16.61521895 0.31693626 -0.09745827 0.65377259 Cu 11.10483735 11.10136204 14.77462597 -0.32925476 -0.05944034 -0.88898162 Cu 12.96923956 12.91047528 14.80565810 -0.44622222 0.33735066 -1.08289613 Cu 12.95089026 11.10216834 16.59743884 -0.13722415 -0.28653184 0.76684886 Cu 11.10098185 12.90515376 16.65493660 -0.26688676 0.11224803 0.42411975 Cu 14.75672216 11.09168320 14.80327436 -0.29991664 -0.43031960 -0.99125620 Cu 16.62601746 12.89373467 14.80504204 0.55197532 0.21258021 -0.73403726 Cu 16.62596573 11.09380870 16.65239714 0.48807954 -0.24067443 0.43688951 Cu 14.78417828 12.91460422 16.61661454 -0.49298407 0.17262807 0.92263400 Cu 0.01123557 14.81260367 14.74362286 -0.78449340 -0.82141017 -0.27412985 Cu 1.83112324 16.65481304 14.75423087 0.70519443 0.59105497 -0.27568196 Cu 1.81300934 14.74134238 16.63465787 0.73607345 -0.27860805 0.52286893 Cu 0.01539939 16.62518714 16.62099837 -0.31110983 0.32360402 0.33247193 Cu 3.73070585 14.80820350 14.80701958 -0.50111362 -1.02041827 -1.07308441 Cu 5.51884714 16.61495035 14.77910896 0.17318362 0.71655849 -0.52698385 Cu 5.51026263 14.76308149 16.61671847 0.24405974 -0.29754931 0.73766722 Cu 3.63279466 16.60723708 16.61763042 0.12078592 0.58489116 0.63585111 Cu 7.39616057 14.75192906 14.79020206 -0.57688255 -0.57859399 -0.77560548 Cu 9.19620522 16.60248583 14.76097406 0.34069652 0.87353140 -0.24400390 Cu 9.20471492 14.79697795 16.58815378 0.28546996 -0.80514446 0.90586416 Cu 7.35973833 16.59242731 16.64360188 -0.06529860 0.56880070 0.43496793 Cu 11.06188205 14.74321783 14.78842476 0.12003950 -0.57910012 -0.94064847 Cu 12.92057304 16.63683396 14.79744347 -0.10386107 0.44396298 -0.90330907 Cu 12.89209495 14.75110685 16.60569135 0.33686974 -0.36568007 0.76462356 Cu 11.10487863 16.59989438 16.58930835 -0.30149112 0.60663264 0.59736305 Cu 14.78444081 14.79631047 14.81094990 -0.78406727 -0.79759510 -1.12639410 Cu 16.65789937 16.63872698 14.74621183 0.58143177 0.52005022 -0.28241961 Cu 16.60410050 14.77499485 16.60392045 0.72411855 -0.32747587 0.65975207 Cu 14.79443352 16.64241246 16.59044579 -0.46140852 0.58046833 0.67526649