500 Lattice="17.868256304307803 0.0 0.0 0.0 17.868256304307803 0.0 0.0 0.0 17.868256304307803" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1605.7982967615224 stress="-0.004187874581466255 -0.00010827701378146052 0.00022333090094014304 -0.00010827701378146052 -0.004310851318223782 0.00027863766990724267 0.00022333090094014304 0.00027863766990724267 -0.0042065428898435415" free_energy=-1605.7982967615224 pbc="F F F" Cu 0.03137469 0.00894436 0.01391192 0.49463652 0.46597630 0.40763204 Cu 1.81504817 1.80558022 0.00881408 -0.18041973 -0.22071853 -0.27167642 Cu 1.75127186 0.01699564 1.80164233 0.25386324 -0.14492822 -0.19780957 Cu 0.01726912 1.75141772 1.75437017 -0.19711507 0.15450172 0.09871882 Cu 3.58543715 0.02476380 0.00597142 -0.15173705 0.18199583 0.27200924 Cu 5.34434604 1.78509902 0.03075298 0.23862379 -0.14389628 -0.35529410 Cu 5.35026846 0.00268041 1.78067863 0.04613753 -0.12953329 0.05915618 Cu 3.59080250 1.78447567 1.75883168 -0.20612648 -0.15366080 0.41817971 Cu 7.17190340 0.02964509 0.00848839 -0.09107277 0.30710213 0.31007808 Cu 8.94574193 1.80425992 0.02782831 -0.19142897 -0.15332933 -0.33058159 Cu 8.96001628 0.02339274 1.75566044 -0.18646071 -0.17276553 0.22320535 Cu 7.13338307 1.78380490 1.81602860 0.07379423 -0.03972390 -0.24633253 Cu 10.74282740 0.03379554 0.02725694 -0.07277791 0.11517446 0.16077089 Cu 12.47721111 1.75839966 0.02097286 0.27616617 0.26143169 -0.09679019 Cu 12.54223089 0.00083630 1.77031817 -0.09689078 -0.10259415 0.13833919 Cu 10.70481980 1.79933490 1.78889584 0.23820571 -0.10587861 0.16661299 Cu 14.26790323 0.00537545 0.00964473 0.21381780 0.49648292 0.44418388 Cu 16.09480756 1.79572102 0.02592883 -0.45775387 -0.12279731 0.43273958 Cu 16.09877961 0.00865322 1.80938689 -0.41575385 0.43651896 -0.17885117 Cu 14.30419708 1.81070067 1.81446557 -0.08776459 -0.35227312 -0.44037734 Cu 0.00525335 3.59415331 0.01279067 0.22125865 -0.16666986 0.19833138 Cu 1.74664103 5.37440482 0.00912109 0.31899459 -0.20551594 -0.16522111 Cu 1.77640197 3.52797733 1.75609362 0.06111455 0.26788625 0.29341510 Cu 0.00207308 5.34475758 1.76377345 -0.17244500 0.04124288 0.21897213 Cu 3.60556995 3.56815305 0.03043724 -0.24589388 0.17564043 -0.42367621 Cu 5.38776308 5.35797043 0.01334745 -0.26779184 -0.01065073 -0.35042778 Cu 5.33590994 3.55490554 1.77126836 0.32167691 0.11202630 0.24687247 Cu 3.60433284 5.32563269 1.80932062 -0.31064610 0.19370966 -0.21190166 Cu 7.12386332 3.57903384 0.01114851 0.05201567 -0.17906421 -0.18868060 Cu 8.92107780 5.33219858 0.01242272 0.11555721 0.17221149 -0.19739585 Cu 8.92576930 3.56556205 1.75524075 -0.10945300 0.19507018 0.45585255 Cu 7.12828024 5.38502291 1.76506471 0.13291191 -0.17643873 0.43369984 Cu 10.69583251 3.54843203 0.03456761 0.30919349 0.21314579 -0.23495686 Cu 12.52630362 5.33939966 0.02119151 -0.18026880 0.01573001 -0.32196243 Cu 12.53505349 3.59168798 1.81816070 -0.20843900 -0.27701049 -0.19157547 Cu 10.72744846 5.37780425 1.81866891 -0.12877538 -0.12423321 -0.25555119 Cu 14.31834846 3.56202792 0.02718860 -0.01761287 -0.06273627 -0.25392017 Cu 16.10211922 5.39097116 0.02535755 -0.38011532 -0.10030632 0.34376353 Cu 16.04712927 3.55516848 1.80860956 0.38084804 0.29254796 -0.19627426 Cu 14.27387740 5.36154233 1.75739364 0.52699657 -0.02424149 0.15942756 Cu 0.01485114 7.13304086 0.03377032 0.15653741 0.15507054 0.15731763 Cu 1.80872970 8.94308244 0.02684909 -0.25379673 -0.06280672 -0.16245250 Cu 1.78695225 7.12494079 1.75383748 0.08629137 0.19448614 0.32502226 Cu 0.01537863 8.94254111 1.79280181 -0.15065535 -0.08201162 -0.09472149 Cu 3.55983870 7.16298269 0.01406369 0.01204974 -0.18988386 -0.21392207 Cu 5.32503442 8.94762188 0.01504558 0.19913279 -0.08012707 -0.17609959 Cu 5.33285604 7.12928260 1.75258328 0.16786972 0.17110306 0.36366703 Cu 3.58390889 8.95938032 1.80088500 -0.19007760 -0.26752922 0.09695867 Cu 7.12948198 7.12776374 0.02254274 0.09518970 0.31548823 -0.32110090 Cu 8.94537535 8.95261385 0.03092738 -0.15564758 -0.01818021 -0.45219488 Cu 8.92120587 7.16749545 1.75630100 0.07246839 -0.26711245 0.21008647 Cu 7.17400808 8.96832632 1.79557859 -0.33229781 -0.36081809 -0.25969698 Cu 10.71510856 7.16833731 0.00649389 0.09032960 -0.17571822 -0.15568666 Cu 12.54094166 8.93760370 0.01934624 -0.10032571 0.02572840 -0.25280485 Cu 12.54292112 7.11741317 1.75674976 -0.37146751 0.46632339 0.27507969 Cu 10.70166514 8.95319466 1.76102594 0.26838940 -0.30763226 0.33939199 Cu 14.31199057 7.17831521 0.03205683 0.10212663 -0.19516441 -0.33726292 Cu 16.04651516 8.96447212 0.03533328 -0.01710394 -0.09487749 0.00779289 Cu 16.09675714 7.16924895 1.78558765 0.03716643 -0.09857929 0.03773425 Cu 14.31756448 8.96265574 1.76313153 -0.16961403 -0.23754656 0.33567827 Cu 0.01874346 10.70826710 0.02297407 0.26023362 -0.00824505 0.21275572 Cu 1.78897078 12.48686545 0.01940170 -0.09150232 0.11480826 -0.33541098 Cu 1.79326535 10.75263711 1.80014539 -0.15349333 -0.33539823 -0.17671178 Cu 0.01272920 12.47534913 1.78476733 -0.32442069 0.10992703 0.02463980 Cu 3.54049584 10.69259081 0.02777222 0.22428788 0.26310246 -0.24342704 Cu 5.38710985 12.49750532 0.03356402 -0.34470722 0.07598453 -0.15687644 Cu 5.37626283 10.71201484 1.80510256 -0.28523397 0.13252427 -0.11104581 Cu 3.54247875 12.51897089 1.78432667 0.41994023 0.12034352 -0.08358627 Cu 7.11728638 10.71515232 0.00181188 0.15226676 0.02446493 -0.15616290 Cu 8.88596213 12.53903869 0.00105784 0.19520282 -0.23195615 -0.15416566 Cu 8.94425179 10.72658997 1.76539415 -0.11983374 0.22682410 0.09572235 Cu 7.12660244 12.51628622 1.81230790 0.32580268 -0.16696222 -0.16846175 Cu 10.74719198 10.72709644 0.01769053 -0.09190725 0.12420439 -0.27521798 Cu 12.50462487 12.53084942 0.03383646 0.00471132 -0.10729191 -0.12780394 Cu 12.49931071 10.69141122 1.80235988 0.19666436 0.28075796 -0.23740006 Cu 10.72466401 12.50433174 1.80767550 -0.12442449 0.16551523 -0.28432412 Cu 14.32327404 10.74264361 0.00748938 -0.22807832 0.11786768 -0.11342146 Cu 16.07636767 12.48502437 0.02794592 -0.21749049 0.16759920 0.25057863 Cu 16.09794771 10.71143351 1.76300671 0.14314447 0.10894797 0.23308165 Cu 14.31126374 12.53539043 1.81556790 -0.08488721 -0.31976607 -0.16559955 Cu 0.00535443 14.26839628 0.00913337 0.40457437 0.13230403 0.39119326 Cu 1.81240876 16.10285029 0.00670530 -0.22850173 -0.46051668 0.41173610 Cu 1.73191271 14.26512814 1.76639108 0.18856898 0.46043074 0.11914158 Cu 0.01431881 16.09312703 1.81629659 0.42672573 -0.47351670 -0.11835639 Cu 3.55358229 14.32673508 0.02880088 0.09119089 -0.20773852 -0.16319885 Cu 5.32859207 16.07659275 0.01836461 0.09869403 -0.28562380 0.27488475 Cu 5.39570631 14.31001477 1.81798012 -0.43571232 0.15760589 -0.31839864 Cu 3.55118088 16.07490571 1.75634292 -0.01688735 0.09416619 0.30753554 Cu 7.12032792 14.27964209 0.01044245 0.07379789 0.36476629 -0.10680535 Cu 8.96947325 16.08981475 0.02314944 -0.28205447 -0.27896255 0.27029123 Cu 8.94199337 14.28243960 1.75444116 -0.17817210 0.11392827 0.39709969 Cu 7.12420720 16.09899099 1.80587975 0.15190914 0.06535515 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5.33031821 5.35449242 14.26463498 0.30968300 0.13700520 0.29601356 Cu 5.34325317 3.59380502 16.07447926 0.22676256 -0.15642246 0.05474428 Cu 3.56119647 5.33092713 16.09588146 -0.00639717 0.19759319 0.12594278 Cu 7.17114695 3.57502933 14.27706649 -0.09691423 0.04494549 0.28997703 Cu 8.96644367 5.38877138 14.31388235 -0.09344826 -0.43421003 -0.13978574 Cu 8.92958011 3.59546854 16.09048787 0.08522238 -0.09378335 0.15833389 Cu 7.16999790 5.37999842 16.11503578 -0.17300031 -0.13819739 -0.07421528 Cu 10.74203101 3.55675552 14.29496706 -0.15391278 0.23544726 0.30647178 Cu 12.53748545 5.38596004 14.26289523 -0.25358325 -0.16933355 0.44307017 Cu 12.53022980 3.55692791 16.08839717 -0.14498884 0.15719711 0.05449906 Cu 10.72545865 5.37194815 16.10691655 0.21811162 -0.18287783 0.03061581 Cu 14.32918337 3.58673336 14.32572644 -0.28950639 -0.15297604 -0.28627650 Cu 16.06351217 5.32861228 14.27952536 0.10768216 0.16779031 0.09195302 Cu 16.06445569 3.57936912 16.07295407 -0.23135813 -0.06736557 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14.33104057 14.28546791 -0.27709949 -0.18534233 0.08735658 Cu 1.73805754 16.04939552 14.30001552 0.30945410 0.33271387 0.20930865 Cu 1.79765524 14.26108521 16.07604907 -0.16053538 0.37149454 0.13486037 Cu 0.00793079 16.09580886 16.07322479 0.53570677 -0.59869694 -0.49654316 Cu 3.54799881 14.32276274 14.28136534 0.10644438 -0.10133168 0.16709552 Cu 5.33814388 16.10071045 14.33904891 0.19676083 0.02527748 -0.15221222 Cu 5.33051002 14.26918395 16.05170978 0.20455561 0.17660859 0.22592374 Cu 3.60051588 16.05550354 16.10389661 -0.22556305 -0.28970005 -0.32111666 Cu 7.14058489 14.30664930 14.28135409 -0.10664839 0.07081190 0.19258315 Cu 8.94144264 16.07683433 14.31431038 -0.14645675 0.09011837 -0.04941019 Cu 8.95144414 14.27214533 16.07608107 -0.21042188 0.17711227 0.21455971 Cu 7.14518274 16.08570359 16.10047068 -0.00429134 -0.47038475 -0.39777918 Cu 10.69178965 14.28682762 14.28305593 0.23938263 0.12584457 0.14995069 Cu 12.48250605 16.09868741 14.27660069 0.10737574 -0.02246664 0.27147667 Cu 12.49808994 14.26409492 16.05281278 0.05430085 0.45650555 0.16191908 Cu 10.71337297 16.05668661 16.05074475 0.05767985 -0.26299439 -0.19408409 Cu 14.28794095 14.29861566 14.26858554 0.26532621 0.14811837 0.32798524 Cu 16.11499252 16.05311334 14.32710563 -0.53764363 -0.50112875 -0.09459532 Cu 16.05500484 14.28643031 16.11513836 -0.34057903 0.00948218 -0.49363681 Cu 14.31331445 16.05466139 16.09077936 -0.11166805 -0.44972148 -0.52990676