500 Lattice="17.83745305749312 0.0 0.0 0.0 17.83745305749312 0.0 0.0 0.0 17.83745305749312" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1602.2888457943789 stress="-0.005175046733023227 0.0001590624673074681 2.15515765507192e-05 0.0001590624673074681 -0.0051749474150320175 3.6039711509242866e-05 2.15515765507192e-05 3.6039711509242866e-05 -0.005249688048070598" free_energy=-1602.2888457943789 pbc="F F F" Cu 0.01622742 0.00207545 0.00284574 0.57784914 0.52833888 0.55623388 Cu 1.77356853 1.79528155 0.01710261 -0.09559476 0.02743301 -0.07864004 Cu 1.81310863 0.01352675 1.79157659 -0.31321388 -0.24247755 -0.18924596 Cu 0.00427705 1.74038137 1.80128402 -0.10069142 0.19828961 -0.19974079 Cu 3.55198977 0.06239366 0.00801414 -0.08382350 -0.10788836 0.02885265 Cu 5.32280407 1.75367636 0.01800188 0.22542303 0.22337450 -0.25533409 Cu 5.35504371 0.00277630 1.77089206 -0.07475442 -0.21296842 0.11076776 Cu 3.55162989 1.76089593 1.75497972 0.09802830 0.39869552 0.38742959 Cu 7.14632965 0.03404685 0.02030434 -0.03950518 0.13003640 0.12075477 Cu 8.94311437 1.76015764 0.00235026 -0.17636393 0.16559436 -0.21579964 Cu 8.94091989 0.02813953 1.75021136 -0.04633903 -0.24052951 0.15559782 Cu 7.12152995 1.77355924 1.78991514 0.18820520 0.11558816 -0.08998948 Cu 10.74073012 0.00545901 0.00282453 -0.00565010 0.25496352 0.18654036 Cu 12.50246707 1.80303120 0.00993941 -0.24991695 -0.10299650 -0.26685146 Cu 12.49583949 0.02455014 1.75866851 -0.25660069 -0.12093292 0.29867944 Cu 10.67464994 1.81318195 1.76596270 0.36385243 -0.34185198 0.20182863 Cu 14.23756867 0.02500651 0.03382113 0.13082806 0.12593511 0.07739065 Cu 16.03494130 1.78463225 0.02339388 -0.24655695 0.10393030 0.17337166 Cu 16.08844502 0.03094472 1.75206572 -0.46582045 0.33599432 0.28457500 Cu 14.25637360 1.76476830 1.75834158 0.33749471 0.20157158 0.44210688 Cu 0.03528062 3.57466093 0.02144866 0.14863585 -0.11703271 0.26158584 Cu 1.80283828 5.33024139 0.00087323 -0.08353060 0.09224575 0.04825411 Cu 1.78046901 3.57387508 1.81583184 0.15237033 -0.16159585 -0.28833003 Cu 0.01202255 5.34108167 1.79055982 -0.22595098 0.13261570 -0.21419574 Cu 3.58956481 3.58275429 0.00890826 -0.17202952 -0.11209624 -0.01938796 Cu 5.36538236 5.31769610 0.01251361 0.05230684 0.27589547 -0.07267302 Cu 5.38537680 3.54429324 1.76602008 -0.29372191 0.04090369 0.28591048 Cu 3.60077545 5.38376821 1.82259300 -0.27515798 -0.38569333 -0.27908168 Cu 7.13310181 3.55810203 0.00199449 0.09617341 -0.18827725 -0.08899640 Cu 8.88956535 5.32281349 0.02524348 0.17233254 0.11718240 -0.18542681 Cu 8.94171774 3.55005442 1.79935740 -0.36930813 0.08083938 -0.05567081 Cu 7.16928969 5.36286495 1.81481352 -0.11873312 -0.19238673 -0.18443104 Cu 10.68375459 3.54850270 0.00006751 0.13246056 0.09132872 -0.27515922 Cu 12.49253142 5.35659620 0.00317563 -0.02378208 -0.07975762 -0.10721097 Cu 12.47556729 3.53029341 1.79328432 0.17016652 0.14648218 -0.12023798 Cu 10.73613510 5.32689964 1.75177329 -0.22699712 0.22593343 0.09861170 Cu 14.23869257 3.53311590 0.00627317 0.25865395 0.33003668 -0.03974440 Cu 16.06577424 5.38041823 0.03246145 -0.30763137 -0.22012716 0.15342083 Cu 16.05610293 3.58014556 1.77108165 -0.10498549 -0.16680161 0.03431989 Cu 14.26306915 5.36436029 1.80481445 0.06164124 -0.25477460 -0.27208246 Cu 0.01296938 7.16786353 0.01092835 0.37554839 -0.13334751 0.28798314 Cu 1.83460410 8.91961278 0.03340411 -0.24546742 -0.07521120 -0.13924424 Cu 1.78733637 7.10249365 1.81719213 -0.05745107 0.29664290 -0.37150125 Cu 0.01119559 8.93713800 1.75215529 -0.10146173 -0.11140946 0.21177385 Cu 3.54406225 7.11009883 0.02320403 0.22537734 0.03032146 -0.15570992 Cu 5.35070300 8.94118681 0.00396053 0.02531974 -0.25046258 -0.22574605 Cu 5.36068236 7.11379319 1.81884810 -0.08292304 0.23573012 -0.60200306 Cu 3.59439942 8.91867061 1.76509489 -0.26480851 -0.18001567 0.14567436 Cu 7.15128039 7.13859960 0.00382502 -0.17511467 -0.05584133 -0.09843775 Cu 8.94185717 8.89780444 0.02698488 -0.33067537 0.21345492 -0.36864380 Cu 8.93252539 7.16434656 1.76341151 -0.07534809 -0.31950418 0.24165220 Cu 7.10414017 8.93521443 1.75598595 0.15837525 -0.10665707 0.03139440 Cu 10.67084987 7.16480783 0.01418911 0.28217046 -0.24318693 -0.27741574 Cu 12.51890857 8.94465812 0.01744037 -0.05101595 -0.10079550 -0.18280566 Cu 12.46162725 7.16031816 1.77941628 0.13153650 -0.16921253 -0.11057076 Cu 10.69656914 8.92918464 1.77811606 0.22419025 0.05402036 0.12556979 Cu 14.27410069 7.10051503 0.02631224 -0.05653224 0.22921698 -0.16616826 Cu 16.04567361 8.91294935 0.00031761 -0.39487264 0.07796240 0.37826088 Cu 16.05182444 7.12839023 1.76035024 0.12117991 0.09137208 0.20834075 Cu 14.24905116 8.89949621 1.81344535 0.19095439 0.08831532 -0.33255225 Cu 0.02317337 10.67611564 0.03166602 0.26225306 0.12560871 0.08833642 Cu 1.81874343 12.47649339 0.01865318 -0.10067392 0.05016583 -0.14173257 Cu 1.77338968 10.70661515 1.81652294 0.24948712 0.10837948 -0.24940510 Cu 0.02164520 12.50069730 1.76216858 -0.07703882 0.01955862 0.08213123 Cu 3.57075579 10.67609332 0.00647601 -0.08268817 0.22034818 -0.15306067 Cu 5.32496007 12.48440233 0.02998183 0.24340173 -0.08983093 -0.37157643 Cu 5.32106271 10.68409302 1.79572583 0.17000754 0.21303784 -0.05474865 Cu 3.59348691 12.51088543 1.76911407 -0.34469945 -0.27752748 0.14775092 Cu 7.15588186 10.71916319 0.02698854 -0.14847525 -0.09252307 -0.27713015 Cu 8.92787718 12.45960075 0.02800734 -0.06849885 0.21756425 -0.33478139 Cu 8.93487557 10.70610595 1.77088150 -0.19002409 -0.10479834 0.10678556 Cu 7.12667553 12.46021258 1.79267473 0.12363595 0.09617152 -0.05963852 Cu 10.67270214 10.66224795 0.02059025 0.30866141 0.19569970 -0.30313292 Cu 12.46690552 12.50222585 0.01785284 0.09544757 -0.16260465 -0.22080531 Cu 12.49264857 10.71721344 1.80136166 -0.14392553 -0.07172253 -0.16834421 Cu 10.67378644 12.47681149 1.77153083 0.18034811 0.11520855 0.18060900 Cu 14.26871662 10.73651968 0.03373554 0.11286387 -0.19741093 -0.23955858 Cu 16.08689078 12.50187984 0.01949191 -0.22692526 -0.09528153 0.11639835 Cu 16.02836456 10.72403184 1.81421836 0.28576752 -0.27217031 -0.26394672 Cu 14.29370368 12.45835953 1.75599773 -0.26553288 0.44822530 0.18414112 Cu 0.02533086 14.29808512 0.03055236 0.34899765 -0.08413379 0.22820826 Cu 1.79927850 16.08718926 0.01286579 0.06012016 -0.40164689 0.35301707 Cu 1.80200382 14.26979685 1.77354140 -0.07139222 0.13103998 0.01274598 Cu 0.02018055 16.05095767 1.80033113 0.28871332 -0.24011099 -0.02198162 Cu 3.59654914 14.28643419 0.02110516 -0.22496446 0.02129832 -0.25242372 Cu 5.32367828 16.06731804 0.02812971 0.19645158 -0.25073251 0.15060744 Cu 5.38609116 14.23431286 1.76186390 -0.13754136 0.41917132 0.15002531 Cu 3.58435345 16.04927964 1.76558450 -0.14215212 0.09903491 0.22917781 Cu 7.16978460 14.28158652 0.02906096 -0.26490063 -0.19832505 -0.34840189 Cu 8.90250098 16.04791152 0.02224934 0.19187522 -0.13229075 0.10087869 Cu 8.90191365 14.28763162 1.76088247 0.28574855 -0.13783917 0.31946248 Cu 7.13615503 16.03290220 1.76494090 -0.00424694 0.26971319 0.23819160 Cu 10.70969015 14.24119227 0.02861327 -0.21790176 0.20450498 -0.26349054 Cu 12.45778213 16.02635822 0.00628336 0.20164343 -0.27719282 0.21609295 Cu 12.45260006 14.23820530 1.78565992 0.31697525 0.19736337 0.10612276 Cu 10.71968805 16.06902277 1.76075503 -0.10033516 -0.01115144 0.17782806 Cu 14.29236574 14.26619459 0.02444586 -0.11972407 0.10951875 -0.11263007 Cu 16.06802734 16.05674450 0.01771149 -0.61053552 -0.58202834 0.60318035 Cu 16.04771901 14.24096037 1.74953088 0.05172556 0.33526320 0.30510718 Cu 14.24508785 16.02928966 1.80648458 0.14157984 -0.02440462 -0.05840362 Cu 0.03135897 0.01867338 3.58872674 0.04749156 0.03388420 -0.06659233 Cu 1.74523886 1.76460616 3.54964274 0.29276553 0.20130133 0.07368300 Cu 1.74904049 0.03072833 5.36372135 0.27537121 -0.35802895 -0.11720710 Cu 0.03293431 1.79378002 5.37466484 -0.38985307 0.09409901 -0.23953247 Cu 3.53622688 0.01626679 3.55913785 0.11990508 -0.18193189 0.14001746 Cu 5.35394485 1.73355464 3.57919167 -0.22039642 0.30170282 -0.12882635 Cu 5.38630328 0.01561897 5.35186284 -0.22214449 -0.25608305 -0.00748029 Cu 3.54137568 1.76059896 5.38237974 0.16259823 0.09218346 -0.22955531 Cu 7.15754453 0.02458239 3.55529089 -0.06129916 -0.39363006 -0.16466782 Cu 8.91328491 1.78095539 3.56450334 0.08784185 0.17336281 -0.13383567 Cu 8.89404263 0.02326149 5.32050272 0.25096779 -0.30840495 0.21293075 Cu 7.16923973 1.77182771 5.32822094 -0.13296600 0.19350773 0.20452297 Cu 10.66826369 0.02789418 3.57739278 0.21333788 -0.10702834 -0.20246001 Cu 12.50743784 1.78418678 3.58267100 -0.26101546 -0.00313125 -0.14473844 Cu 12.45207950 0.02469663 5.33430440 0.04820085 -0.28792885 0.16637977 Cu 10.68067157 1.81554018 5.36973418 0.10610397 -0.18258835 -0.24756825 Cu 14.24093857 0.01242814 3.57227004 0.28648455 -0.09317129 -0.16031412 Cu 16.05155632 1.81301768 3.59224756 -0.09544375 -0.21885614 -0.30093044 Cu 16.03211980 0.00588410 5.35744985 -0.21464225 0.17220994 -0.07563083 Cu 14.26290796 1.75740966 5.37535974 0.03107932 0.23555948 -0.08540294 Cu 0.01172517 3.60062578 3.57050637 -0.28111144 -0.30287742 0.00582747 Cu 1.76568041 5.34567324 3.53229700 0.09859467 0.12537040 0.35987097 Cu 1.80917794 3.54713760 5.31990440 -0.17978856 0.13073832 0.24406499 Cu 0.02881887 5.32778816 5.37894475 -0.25249673 0.08047060 -0.34044262 Cu 3.55566175 3.55982664 3.60236635 0.22646110 -0.22652127 -0.43325613 Cu 5.33033366 5.38268582 3.53845771 0.16191245 -0.26588170 0.30123091 Cu 5.37804572 3.58182764 5.31751815 -0.47223763 -0.20805157 0.11832443 Cu 3.54635905 5.36759141 5.32406828 0.01365887 -0.06115378 0.21683126 Cu 7.10770775 3.56554606 3.59901156 0.25535148 0.01663443 -0.38955655 Cu 8.95066266 5.35646015 3.57337266 -0.19482899 0.10749420 -0.21730444 Cu 8.93477515 3.58197622 5.33243810 -0.16968566 -0.14631474 0.16840550 Cu 7.11632540 5.33709648 5.36868836 0.34662715 0.23298430 -0.27621431 Cu 10.70708652 3.59202494 3.56764601 0.06918527 -0.28122409 -0.01376005 Cu 12.51017428 5.32241800 3.54344439 -0.23128856 0.41799651 0.13223257 Cu 12.51003949 3.60263921 5.32371583 -0.17400794 -0.32905686 0.38405000 Cu 10.69724783 5.35194804 5.35498892 0.14667414 -0.08757625 -0.14509261 Cu 14.25021721 3.58739929 3.59879140 0.43214887 -0.34167175 -0.36794166 Cu 16.07772892 5.32202298 3.54096121 0.02906606 0.19598527 0.14282225 Cu 16.08304995 3.53768402 5.33228689 0.02828201 0.11038082 0.21271283 Cu 14.30267737 5.32620917 5.37449878 -0.02209052 0.29478308 -0.21488867 Cu 0.00451313 7.16295537 3.53378864 -0.17254208 -0.14764088 0.14299475 Cu 1.77945121 8.94024630 3.54755255 -0.08329975 -0.16850728 0.03866838 Cu 1.75183763 7.10943023 5.37478260 0.11498680 0.30944506 -0.25789406 Cu 0.00235347 8.93010922 5.31070350 -0.17421505 -0.07790904 0.15631075 Cu 3.53891122 7.17512392 3.60015315 0.02809281 -0.16206254 -0.08496485 Cu 5.32769809 8.89887466 3.55119946 0.22220109 0.10727454 0.19998295 Cu 5.37705610 7.10343409 5.38328730 -0.26958039 0.29787093 -0.36521507 Cu 3.56613631 8.93114470 5.34255717 -0.16687146 -0.21220591 0.33043102 Cu 7.11605864 7.15317513 3.53328769 0.29117724 -0.11526103 0.31539663 Cu 8.89577449 8.92357655 3.53918124 0.26073705 -0.15659031 0.02685578 Cu 8.94103373 7.10875144 5.33701570 -0.24576112 0.30835824 0.10824192 Cu 7.14314187 8.93561767 5.31570392 -0.16893363 -0.24811178 0.20017304 Cu 10.72703024 7.16513010 3.54879060 -0.17390394 -0.33708350 0.00803571 Cu 12.47851279 8.90355097 3.60082677 0.10762445 0.12334365 -0.24731998 Cu 12.45417855 7.12081461 5.38218558 0.34650343 -0.10177208 -0.49792392 Cu 10.72001501 8.91483948 5.34417450 -0.25839406 0.23629316 0.11426282 Cu 14.25372276 7.11997295 3.55593319 0.13464056 -0.04215398 0.20813581 Cu 16.03370379 8.91535319 3.53943886 0.10668383 -0.00772499 0.12037474 Cu 16.02623174 7.17244255 5.34977836 0.26609808 -0.20793874 -0.17681245 Cu 14.25019194 8.88520345 5.38669817 0.27836263 0.38802172 -0.44752440 Cu 0.00286448 10.73710249 3.55717642 -0.24148501 -0.14497920 -0.13797306 Cu 1.81422174 12.47281163 3.58985879 -0.13824074 0.11553028 -0.24513823 Cu 1.75132735 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14.24572913 10.69584625 3.53481026 0.21432541 -0.14095683 0.26314954 Cu 16.02501723 12.47689877 3.54988825 0.28772084 0.25385994 0.04660893 Cu 16.05341792 10.71499790 5.32527625 0.11692487 -0.31147014 0.08076270 Cu 14.31013689 12.45515273 5.32721002 -0.22034023 0.37901852 0.36992962 Cu 0.03060286 14.27727691 3.54347937 -0.08547523 -0.13914691 0.10809926 Cu 1.75535014 16.07244986 3.57664773 0.27327718 -0.00715153 -0.05410103 Cu 1.79626464 14.24708517 5.35911137 -0.16680305 0.35844493 -0.22449325 Cu 0.00367228 16.05351251 5.33613659 0.26324829 -0.35398627 0.08552715 Cu 3.55396506 14.27808472 3.54596335 0.05303022 0.23554222 0.11302798 Cu 5.36719972 16.05002154 3.54213531 -0.05469970 0.02416912 0.03582797 Cu 5.35698566 14.26803112 5.32820326 -0.01046937 0.21338534 0.20983329 Cu 3.56267644 16.08757777 5.36459836 0.11393465 -0.10241222 -0.17837092 Cu 7.14619435 14.24353844 3.54416527 0.00725199 0.20502943 0.12541137 Cu 8.96780941 16.02973099 3.60179325 -0.22312252 0.19656174 -0.38708821 Cu 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10.69265801 0.13648826 0.25207351 0.18477523 Cu 8.93986915 3.56984277 12.46450541 -0.16861619 -0.13768389 0.33667232 Cu 7.14834155 5.37332159 12.50075268 -0.15098744 -0.26110334 -0.20677962 Cu 10.71460861 3.58359578 10.68913986 -0.12921352 -0.27931903 0.13365302 Cu 12.46180602 5.32314294 10.68592148 0.23566880 0.21357557 0.11665484 Cu 12.50087320 3.57856520 12.46679668 -0.25722097 -0.13526181 0.16161521 Cu 10.67640528 5.35641545 12.48132778 0.33837422 -0.06125391 0.06154721 Cu 14.26548068 3.53177830 10.69115920 0.04772396 0.26675948 -0.02940862 Cu 16.04545370 5.34364467 10.68168639 0.23517841 -0.30698272 0.28664969 Cu 16.04211942 3.53410805 12.48189219 0.00904133 0.30592302 0.19001677 Cu 14.24769975 5.35229446 12.50845414 0.42207369 -0.20384643 -0.17263622 Cu 0.03466733 7.13041558 10.70561909 -0.31097974 0.10845566 0.12299641 Cu 1.81560830 8.90138999 10.71725973 -0.15451754 0.13510069 -0.13118783 Cu 1.78017630 7.16704883 12.48928704 0.02740564 -0.18993344 0.16876782 Cu 0.01026801 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