500 Lattice="17.855705809148404 0.0 0.0 0.0 17.855705809148404 0.0 0.0 0.0 17.855705809148404" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1609.6175034491532 stress="-0.004190175098605762 -0.0001279916529964781 -0.0002807320670813912 -0.0001279916529964781 -0.004257211699486114 0.00013358180808443682 -0.0002807320670813912 0.00013358180808443682 -0.004242378291485797" free_energy=-1609.6175034491532 pbc="F F F" Cu 0.03117927 0.01996190 0.02523381 0.52900786 0.49876798 0.52155630 Cu 1.76729957 1.81416538 0.03207935 0.13581535 -0.20789548 -0.15391629 Cu 1.81069941 0.00362709 1.79614482 -0.14307896 -0.12741886 -0.10983244 Cu 0.02812013 1.75863235 1.80085206 -0.09402199 0.11246488 -0.06645984 Cu 3.59131680 0.01174453 0.02495202 -0.15713412 0.31649717 0.34596191 Cu 5.32425737 1.76201118 0.03080564 0.19005180 0.09642381 -0.09257919 Cu 5.36517209 0.02598405 1.81339269 0.07612692 -0.23011853 -0.28731486 Cu 3.54319050 1.80190082 1.81816483 0.15051448 -0.12509963 -0.42951861 Cu 7.17342556 0.01048019 0.00059805 -0.10782157 0.37890227 0.38785756 Cu 8.93394118 1.79709246 0.01044616 -0.06876894 -0.11503969 -0.21444212 Cu 8.89924322 0.00735346 1.80911610 0.09433525 -0.11435423 -0.24365914 Cu 7.15742999 1.81764243 1.77787346 -0.02281192 -0.30625134 -0.14893153 Cu 10.70786396 0.02805456 0.00356133 -0.03294057 0.23282049 0.38479686 Cu 12.48172804 1.77539570 0.02465737 0.19977383 0.03243470 -0.12300290 Cu 12.52619359 0.00751162 1.81027483 -0.16128719 -0.15567647 -0.29653589 Cu 10.69974487 1.78571819 1.76720263 0.18351051 -0.14018884 0.06364060 Cu 14.31405778 0.00363307 0.01365967 -0.12319564 0.42863538 0.46086930 Cu 16.06102809 1.74696619 0.01322834 -0.38006583 0.07187742 0.36867021 Cu 16.04017462 0.03027369 1.81923115 -0.32031015 0.34668337 -0.08347868 Cu 14.26730013 1.82637498 1.77332144 0.27928889 -0.29340835 -0.08969909 Cu 0.02834929 3.57779377 0.01658646 0.14644627 -0.10454083 0.24466692 Cu 1.77762938 5.33753737 0.00432960 0.07727828 0.18427172 -0.25253528 Cu 1.79605483 3.60121718 1.77387451 -0.19907488 -0.11593701 0.12232134 Cu 0.00169622 5.34753116 1.75413109 -0.13749775 0.07289062 0.19303251 Cu 3.59233448 3.59903250 0.01911881 -0.14783288 -0.31335172 -0.25681897 Cu 5.34212408 5.32646049 0.02563247 0.17092418 0.27238312 -0.28955156 Cu 5.36074791 3.58402949 1.80076782 -0.03767608 -0.15131653 -0.08619619 Cu 3.59379860 5.35532429 1.75748663 -0.24628036 0.11080286 0.12816800 Cu 7.12990435 3.60633468 0.02881750 0.07374714 -0.13414165 -0.23691083 Cu 8.95865963 5.38961734 0.01434532 -0.17261031 -0.23120367 -0.31903206 Cu 8.94664640 3.56898654 1.75994826 -0.14450541 0.11875500 0.20314482 Cu 7.16112964 5.37975981 1.80729480 -0.07837456 -0.30578363 -0.07525662 Cu 10.72289832 3.57587708 0.02511405 0.03982638 -0.09770781 -0.33477960 Cu 12.50111806 5.33900635 0.03227646 0.13198593 0.14318614 -0.33402165 Cu 12.51435128 3.60440696 1.81823558 -0.09849549 -0.37878030 -0.35558798 Cu 10.74446002 5.33937154 1.75648919 -0.19044819 0.20829425 0.26100861 Cu 14.31820205 3.59323938 0.01265284 -0.03151931 -0.11838830 -0.16719406 Cu 16.07806582 5.38891733 0.03398560 -0.22447794 -0.17797594 0.23378104 Cu 16.08632971 3.53085648 1.77280097 0.10251585 0.10589776 0.04474543 Cu 14.29287558 5.33777636 1.80224783 0.23815649 0.07785709 -0.14848565 Cu 0.01264947 7.12288152 0.00074841 0.26493122 0.06666775 0.34605226 Cu 1.77127984 8.89308256 0.02792663 -0.07891029 0.12589991 -0.21073764 Cu 1.78767091 7.11516344 1.77266789 -0.12200449 0.01266174 -0.06382077 Cu 0.00606872 8.94675606 1.82078216 -0.17179807 -0.13775413 -0.30741781 Cu 3.60026300 7.17176653 0.00277478 -0.15224656 -0.27625177 -0.19851399 Cu 5.34863724 8.90927635 0.01950565 0.01935211 0.22458138 -0.11649365 Cu 5.38571909 7.13649488 1.79294341 -0.26519052 0.10627429 -0.13034009 Cu 3.54983727 8.90357837 1.77321321 0.13901600 0.28170398 0.18037566 Cu 7.12109229 7.13705343 0.03439887 0.12385948 0.04272482 -0.36505941 Cu 8.96253887 8.96235415 0.01210553 -0.18001822 -0.18495114 -0.21796223 Cu 8.92536459 7.10838878 1.75718719 0.08149409 0.32471617 0.20083841 Cu 7.17554870 8.90867754 1.80213016 -0.10498396 0.20489459 -0.16179846 Cu 10.69898153 7.15568688 0.03228347 0.26993964 0.00358225 -0.25961402 Cu 12.48009641 8.94912282 0.02497143 0.10685163 -0.11234659 -0.12345092 Cu 12.53390202 7.12263193 1.80720607 -0.28225685 0.17861441 -0.30030729 Cu 10.68437657 8.92330849 1.79374536 0.24281488 0.11450623 0.06327849 Cu 14.31716609 7.12025340 0.01828260 -0.23656890 0.14645106 -0.12980304 Cu 16.04095058 8.92301807 0.01646321 -0.30451631 0.01494473 0.27121744 Cu 16.05398725 7.13751749 1.75900223 0.17297606 0.05886880 0.20378149 Cu 14.24938887 8.95695648 1.81310893 0.24380179 -0.13610329 -0.34722958 Cu 0.01596751 10.70572721 0.01794418 0.27344438 0.02340024 0.21173004 Cu 1.80556396 12.51680569 0.01570071 -0.19070101 0.08141946 -0.22084107 Cu 1.76606530 10.73044808 1.74918680 0.14680453 -0.14219654 0.33410015 Cu 0.02183988 12.46697309 1.80439267 -0.18978766 0.22853676 -0.06958760 Cu 3.53864129 10.74727511 0.00216806 0.11492138 -0.30645164 -0.11257990 Cu 5.33737169 12.47535314 0.03457987 0.10429348 0.15877319 -0.34013542 Cu 5.37894640 10.73120145 1.78529118 -0.22273768 -0.30099774 0.09634834 Cu 3.57425924 12.51316565 1.78570794 -0.02913824 -0.07478937 0.09414312 Cu 7.13778504 10.66377939 0.00405444 0.07932009 0.19426980 -0.15410625 Cu 8.95552179 12.51962483 0.00655829 -0.19426179 -0.12929909 -0.14809249 Cu 8.91691422 10.70863105 1.81363679 0.07629674 0.00926644 -0.14581704 Cu 7.16456200 12.48583823 1.75800708 0.01683906 0.09703734 0.05802180 Cu 10.70009749 10.74380706 0.01968573 0.06956719 -0.07092570 -0.14808290 Cu 12.49861369 12.48981446 0.00517419 -0.06460128 0.13502923 -0.15842195 Cu 12.51648861 10.74687401 1.77065060 -0.23603132 -0.14546143 0.13473774 Cu 10.70025164 12.48615094 1.81794622 0.20782390 0.12872471 -0.23168936 Cu 14.29053754 10.73639215 0.03017217 0.11476380 -0.09160739 -0.28104028 Cu 16.09215327 12.49400410 0.00624396 -0.37124103 0.08270176 0.36215972 Cu 16.08252765 10.69283533 1.76121702 0.07826791 0.09441094 0.11413790 Cu 14.30397891 12.49896440 1.77920338 0.22922030 0.18222529 0.16669880 Cu 0.02574518 14.24900434 0.00333555 0.46321760 0.10169134 0.53133807 Cu 1.81198437 16.04567422 0.00094758 -0.13954155 -0.42018464 0.53887099 Cu 1.81534580 14.26367228 1.81422229 -0.36076780 0.31609804 -0.25216297 Cu 0.01511974 16.04107959 1.80651700 0.44354630 -0.45458542 -0.16563603 Cu 3.56421539 14.31961113 0.00450500 0.11228969 -0.07558818 -0.09170032 Cu 5.36751951 16.06939965 0.02059106 -0.00317341 -0.26776252 0.28983435 Cu 5.39665603 14.28508311 1.75865601 -0.16743942 0.18748445 0.14541805 Cu 3.59117583 16.05142028 1.81435076 -0.13225029 0.18209878 -0.19291037 Cu 7.14749495 14.28805132 0.01826408 0.04166185 0.03871037 -0.21706372 Cu 8.91774711 16.05540209 0.01251312 0.11670336 -0.29634583 0.31704287 Cu 8.94619726 14.28676159 1.79714852 -0.18022014 0.21531297 -0.12616920 Cu 7.17128981 16.08521321 1.77470433 -0.13520450 0.03062313 0.11979679 Cu 10.69867389 14.27638678 0.02691080 0.19481916 0.19105108 -0.11674089 Cu 12.48956353 16.09890629 0.02766758 0.04859821 -0.48322908 0.35765340 Cu 12.48292639 14.26367688 1.81253750 0.12924497 0.16713314 -0.16089701 Cu 10.74796322 16.07119718 1.80760147 -0.23540547 0.16428524 -0.18937002 Cu 14.26169729 14.26306568 0.05421625 0.21946466 0.29827364 -0.21113084 Cu 16.09090875 16.10206164 0.00399666 -0.68203781 -0.65406647 0.62455871 Cu 16.09023877 14.32233728 1.75906194 -0.06029070 -0.03609587 0.10621318 Cu 14.28725351 16.07592378 1.77958077 0.03364249 -0.00455485 -0.03675507 Cu 0.00922724 0.02681422 3.57414406 0.28324299 0.27813151 -0.01997772 Cu 1.81348196 1.77993645 3.58232000 -0.48009459 -0.05084600 -0.22063025 Cu 1.76590642 0.03041904 5.33497402 0.06466026 -0.28583741 0.08710757 Cu 0.02575797 1.79408343 5.39075169 -0.30219489 -0.05926172 -0.18323898 Cu 3.59585964 0.03283162 3.56456887 -0.11023696 -0.37704373 0.05683296 Cu 5.37605109 1.77244314 3.54161288 -0.17186130 0.19069521 0.15601644 Cu 5.37831441 0.03285115 5.33369565 -0.16268278 -0.27714700 0.16281533 Cu 3.54723666 1.79717444 5.32527142 0.38643021 -0.13605604 0.31079160 Cu 7.14763404 0.00651722 3.57514043 -0.00267925 -0.17886974 -0.12725049 Cu 8.94751771 1.78133454 3.57739513 -0.24093962 0.17503386 -0.12113716 Cu 8.90840038 0.01784590 5.32342926 0.03870130 -0.28045258 0.17592625 Cu 7.11695060 1.78116776 5.34480388 0.20965719 0.04153174 0.12488708 Cu 10.68344776 0.03494962 3.56765650 0.17065687 -0.23874188 -0.08682464 Cu 12.53108989 1.76732216 3.55737226 -0.30530428 0.12491521 0.06615664 Cu 12.45271204 0.00315199 5.32412748 0.19237605 -0.08125331 0.18317052 Cu 10.68791287 1.81648606 5.37189685 0.21760564 -0.29097285 -0.28947526 Cu 14.27223683 0.01100389 3.53956531 0.21072988 -0.15266959 0.21871674 Cu 16.08176932 1.77121405 3.59159217 -0.04032465 0.13759387 -0.08839030 Cu 16.08018796 0.00741180 5.32241813 -0.37651399 0.32534081 0.05116173 Cu 14.27935065 1.79795111 5.34227873 0.10717417 -0.20423893 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12.47050514 3.55962485 5.35300145 0.17312001 0.09182784 -0.06313947 Cu 10.72461100 5.38215418 5.34136821 -0.11434011 -0.15264918 0.12931731 Cu 14.25814597 3.59555594 3.55092712 0.33246852 -0.19171584 0.31301613 Cu 16.06030857 5.32519209 3.60593038 0.11523304 0.15068216 -0.23433334 Cu 16.07319064 3.58560387 5.36557571 0.03917132 -0.03851613 0.01269199 Cu 14.25200692 5.37142542 5.37583390 0.10818087 -0.17592631 -0.23819213 Cu 0.03174066 7.16217117 3.57958524 -0.37900630 -0.23891761 -0.11100630 Cu 1.75478004 8.89607758 3.56673564 0.37199332 0.22227694 -0.11439856 Cu 1.76074220 7.16205738 5.37659857 0.19571242 -0.21163428 -0.16780298 Cu 0.03143960 8.94562175 5.34866120 -0.40565873 -0.02144502 0.19013252 Cu 3.57607173 7.11199368 3.54949345 -0.11519881 0.32486219 0.15720262 Cu 5.38523340 8.91795952 3.57734935 -0.35019628 0.18051917 -0.12390086 Cu 5.34423944 7.11909070 5.34991739 0.05624958 0.13402599 -0.13981143 Cu 3.54584700 8.93977289 5.35363510 0.22535108 -0.06301060 -0.24903976 Cu 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