500 Lattice="17.919141554785103 0.0 0.0 0.0 17.919141554785103 0.0 0.0 0.0 17.919141554785103" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1559.9174303921363 stress="-0.002925526877618357 9.087042533469557e-05 -0.000134891982533537 9.087042533469557e-05 -0.0029296873142476846 0.00016052814334272097 -0.000134891982533537 0.00016052814334272097 -0.002793965094650879" free_energy=-1559.9174303921363 pbc="F F F" Cu 0.02502778 0.02320382 0.00222475 0.32943990 0.35497836 0.36762615 Cu 1.79554653 1.77016895 0.01453603 -0.04738564 0.14820211 0.00188218 Cu 1.75852949 0.02603310 1.78404263 0.22193840 0.00357509 0.08981894 Cu 0.01432820 1.79544576 1.81609411 -0.06864998 0.04130323 -0.11428117 Cu 3.56674386 0.02923918 0.01830765 -0.01858080 0.21432461 0.20948178 Cu 5.39400104 1.81125370 0.01473393 -0.09553508 -0.07711272 -0.05565691 Cu 5.35234183 0.04601840 1.77239698 0.11643367 -0.12073743 -0.00599287 Cu 3.57975780 1.81570926 1.81423448 -0.16955153 -0.18604274 -0.31058747 Cu 7.17861840 0.00124429 0.03203170 -0.01532820 0.27753641 0.25394261 Cu 8.92588729 1.82749256 0.04583824 0.22809301 -0.11587721 -0.12748795 Cu 8.94357080 0.01625622 1.81935678 0.08876882 -0.10072191 -0.21234938 Cu 7.18982383 1.82290930 1.81107566 -0.16529718 -0.22147917 -0.17238554 Cu 10.74728539 0.00905474 0.01143932 -0.12429088 0.27814398 0.23876682 Cu 12.54626606 1.79019281 0.02965992 0.07831398 0.00527963 -0.10249462 Cu 12.50793805 0.04542620 1.76634287 0.30852164 -0.16903324 0.17068157 Cu 10.76188620 1.76985509 1.81872341 -0.10797464 0.14261597 -0.40447217 Cu 14.34317486 0.00059216 0.02218674 -0.10133855 0.30711717 0.28650387 Cu 16.14258681 1.76895118 0.01665137 -0.29644684 0.19487410 0.31289483 Cu 16.14090874 0.02517898 1.78572901 -0.24677981 0.17305141 0.09996698 Cu 14.37099961 1.78421920 1.80130287 -0.06314777 -0.09308671 -0.11019411 Cu 0.00678994 3.61710362 0.00431504 0.28505688 -0.09619453 0.21051046 Cu 1.82651347 5.40664804 0.04565504 -0.14341977 -0.04783815 -0.09494911 Cu 1.76247617 3.55861450 1.75666807 0.09772399 0.20298031 0.10939043 Cu 0.01370262 5.36324541 1.79313197 0.04415581 0.05082297 0.07465862 Cu 3.57329423 3.60720272 0.00487797 -0.03206958 -0.15444153 -0.08364043 Cu 5.40226769 5.34760415 0.00271255 -0.11610262 0.05697945 -0.09048704 Cu 5.35738200 3.54809958 1.78131750 0.13434025 0.22113373 -0.03866255 Cu 3.60291207 5.37014894 1.79294095 -0.16535064 0.06042124 -0.09438046 Cu 7.14727488 3.56389144 0.01177231 0.08263907 0.04373196 -0.08263416 Cu 8.94114715 5.34465868 0.02335620 0.09281097 0.10479780 -0.10305861 Cu 8.98779080 3.56659618 1.79101533 -0.21361948 0.12723145 -0.04840945 Cu 7.16934881 5.38866859 1.76188509 -0.07898784 -0.12576512 0.20271316 Cu 10.78685483 3.61733891 0.01851799 -0.14185691 -0.23412081 -0.10196214 Cu 12.52662689 5.38856224 0.01800912 0.22396988 0.00555365 -0.14130493 Cu 12.57492550 3.58769240 1.74145687 -0.05716399 -0.12639428 0.16389520 Cu 10.77769429 5.34947272 1.81415687 -0.18600868 0.26874178 -0.17916195 Cu 14.35081981 3.56748357 0.01701907 -0.03723610 -0.06438280 -0.09340490 Cu 16.09690689 5.36496145 0.03518809 -0.17534051 0.12510059 0.10591087 Cu 16.10121442 3.61944963 1.81491266 0.11440913 -0.29188898 -0.10165817 Cu 14.34721760 5.37071657 1.76899790 -0.16064336 0.14219243 0.06957968 Cu 0.01192858 7.14410490 0.01238168 0.27717048 0.02015267 0.31874612 Cu 1.78533231 8.94913031 0.00516262 0.03022014 0.05677112 0.07339693 Cu 1.82453510 7.19153406 1.82273341 -0.25852081 -0.17187896 -0.29596147 Cu 0.01120898 8.94561654 1.81370692 -0.03939229 0.10944692 -0.17101747 Cu 3.59139704 7.15151887 0.00681537 0.00464790 0.03828317 -0.10745591 Cu 5.39442571 8.94294916 0.02962059 -0.06190863 0.06071091 -0.28564295 Cu 5.38518412 7.17850707 1.76553367 -0.11337497 -0.10242383 0.17561967 Cu 3.60425725 8.93980799 1.78217714 -0.25686562 0.06091951 -0.07794598 Cu 7.13616471 7.17161846 0.00904475 0.18688029 -0.09190000 -0.20332814 Cu 8.93903730 8.95281557 0.02852876 0.25086694 -0.05711204 -0.24118135 Cu 8.97167959 7.16859155 1.79043374 0.00048430 -0.03152124 -0.09519983 Cu 7.17743507 8.93446114 1.75850477 -0.08975700 0.17102058 0.22461377 Cu 10.77698279 7.14262783 0.01383258 -0.17860474 -0.01661688 -0.07926340 Cu 12.51380418 8.93141924 0.01016934 0.13620371 0.26222443 -0.18587724 Cu 12.55819085 7.20789788 1.78652768 -0.05620980 -0.32461961 0.18313944 Cu 10.78583779 8.97695366 1.75662364 -0.28114085 -0.08005453 0.23381494 Cu 14.27833570 7.20089879 0.00899615 0.21719468 -0.15803242 -0.08456986 Cu 16.12025733 8.93817474 0.03389381 -0.27145667 0.06366338 0.19588932 Cu 16.08843114 7.15633142 1.79802384 0.02225983 0.06667055 0.03132470 Cu 14.31436104 8.97873078 1.76594683 0.17955588 -0.10186887 0.13462280 Cu 0.00256359 10.74984739 0.00595443 0.25385312 -0.02568777 0.33233977 Cu 1.77724040 12.51993618 0.02379713 0.19679943 0.13849244 -0.06205184 Cu 1.80117247 10.77435197 1.80929392 -0.17567113 -0.22781256 -0.23743578 Cu 0.01433295 12.59738589 1.75753264 -0.02205217 -0.12946054 0.10739444 Cu 3.61238685 10.73932536 0.02728638 -0.21909293 0.02470211 -0.16564505 Cu 5.36520704 12.57413802 0.00802938 0.13791145 -0.05959278 -0.06771880 Cu 5.34660492 10.73097742 1.75850341 0.37184591 0.19003353 0.07611654 Cu 3.59122802 12.53795503 1.79947651 -0.09861758 0.23538401 -0.12367582 Cu 7.19522133 10.73160249 0.01511866 -0.22899047 0.08526881 -0.19510478 Cu 8.96901951 12.52401143 0.02262924 0.09926618 0.10083153 -0.18219534 Cu 8.95522998 10.73050828 1.75880992 0.22434471 0.03608135 0.18406641 Cu 7.21039418 12.50987992 1.76210600 -0.32010051 0.15218391 0.13106389 Cu 10.78657262 10.77948245 0.00557808 -0.09101808 -0.08524225 -0.12458862 Cu 12.55756348 12.56475880 0.03641410 -0.05202005 0.12874022 -0.14809066 Cu 12.52278647 10.77292314 1.82253247 0.14640780 -0.18582595 -0.26403894 Cu 10.77992563 12.52469694 1.82012667 -0.17115659 0.18789949 -0.22884353 Cu 14.30517729 10.78568524 0.03812510 0.07334466 -0.18332926 -0.10468019 Cu 16.10340215 12.56629198 0.03094433 -0.14454077 -0.08734950 0.22233022 Cu 16.12075501 10.72352436 1.81552944 0.01663446 0.07499313 -0.13700829 Cu 14.32687654 12.53614682 1.78430478 0.13291276 0.14740101 0.13697108 Cu 0.02221833 14.33231991 0.01501919 0.22065744 -0.05771648 0.17607098 Cu 1.76009214 16.11869703 0.02290850 0.20823317 -0.17001727 0.18446038 Cu 1.81442610 14.38225930 1.76535215 -0.03221632 -0.19440729 0.11249729 Cu 0.02230546 16.10703027 1.78065804 0.19609410 -0.22125647 0.15233507 Cu 3.58998878 14.35915203 0.03075171 -0.01362115 -0.03134972 -0.02507096 Cu 5.41520760 16.14680340 0.00499006 -0.02303268 -0.35666615 0.32112796 Cu 5.42752687 14.31121847 1.80470608 -0.22699286 0.28559094 -0.03034950 Cu 3.58894687 16.13586375 1.80248453 0.10593617 -0.05266769 -0.05753782 Cu 7.20147594 14.34697775 0.03917008 -0.06390381 -0.05521218 -0.09763629 Cu 8.92725387 16.14527283 0.00849810 0.07489098 -0.24294733 0.31329506 Cu 8.98374723 14.31283814 1.78446173 -0.08180563 0.22850624 -0.00991376 Cu 7.17017680 16.14778826 1.78821346 -0.03755707 -0.10064654 0.16822216 Cu 10.73012496 14.36136504 0.01950413 0.11120099 -0.11981675 -0.05482176 Cu 12.56867120 16.15308378 0.01144184 0.06876192 -0.37212733 0.31198691 Cu 12.54163536 14.35398931 1.81160292 0.18045171 0.01294867 -0.16034251 Cu 10.77428746 16.09479357 1.78623381 -0.12152809 0.10355700 0.00031003 Cu 14.36102923 14.31463897 0.00985458 -0.15341495 0.23274165 0.05423483 Cu 16.15794709 16.14007496 0.00326974 -0.49596768 -0.43053078 0.43067615 Cu 16.09308279 14.36326844 1.75325852 0.05951125 -0.07825240 0.17459498 Cu 14.35029841 16.13623992 1.82052325 -0.08819760 -0.05544612 -0.17207244 Cu 0.02433505 0.00136193 3.57432867 0.21547086 0.26760219 0.02090829 Cu 1.81170578 1.82518751 3.55168957 -0.13402423 -0.30990935 0.17550022 Cu 1.77714455 0.00314992 5.38028365 0.20159455 0.08981480 -0.07056935 Cu 0.02029181 1.80468290 5.35150338 -0.03660266 -0.03868345 0.01372561 Cu 3.61384035 0.02667579 3.59794178 -0.31413579 -0.20893657 -0.18978585 Cu 5.36254226 1.76516006 3.53866209 0.12352758 0.08667534 0.18629315 Cu 5.36746255 0.01499309 5.35373028 0.13985715 -0.06628045 0.10947968 Cu 3.60524218 1.78238405 5.34499560 -0.16693554 -0.01259252 0.21735036 Cu 7.17050962 0.02341352 3.54848751 -0.11957213 -0.18967089 0.01728570 Cu 8.97244806 1.75953546 3.55830221 -0.04328134 0.21553436 0.17851772 Cu 8.94648397 0.00874332 5.34637620 0.07564761 -0.13719300 0.04000651 Cu 7.18359113 1.76527482 5.34923734 -0.22790135 0.06500997 0.08019568 Cu 10.72983468 0.01006010 3.54988070 0.15834508 -0.17600365 0.12197635 Cu 12.53058690 1.82264491 3.55091097 0.24150931 -0.33277364 0.12107016 Cu 12.53226780 0.01487988 5.37730662 0.07950673 -0.08643386 -0.13163068 Cu 10.78249022 1.75868554 5.38017720 -0.22565259 0.13895031 -0.14714698 Cu 14.36548714 0.00344598 3.60204607 -0.16823071 0.05344392 -0.09626593 Cu 16.12915969 1.76916888 3.57680272 -0.01382705 0.20094536 0.07364122 Cu 16.15340934 0.01570589 5.41234976 -0.23186476 0.25923078 -0.06902369 Cu 14.34374474 1.79113069 5.39489710 0.11724726 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