500 Lattice="17.895191581719068 0.0 0.0 0.0 17.895191581719068 0.0 0.0 0.0 17.895191581719068" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1616.9732772653633 stress="-0.008622056504917857 0.00024608193938414224 -0.00026355173006069386 0.00024608193938414224 -0.008538607423472342 0.00031307679872209906 -0.00026355173006069386 0.00031307679872209906 -0.008537519656537419" free_energy=-1616.9732772653633 pbc="F F F" Cu 0.02864157 0.01838672 0.00276032 0.50936366 0.55895188 0.51162943 Cu 1.80213908 1.79910698 0.00430272 -0.12105540 -0.12151892 0.05662371 Cu 1.75956371 0.03706547 1.78526962 -0.02405407 -0.14537069 -0.19152238 Cu 0.03484047 1.81514521 1.80968837 -0.16145988 -0.18242807 -0.22769051 Cu 3.56442842 0.00447042 0.00011149 -0.01504844 0.31851188 0.36137504 Cu 5.33484648 1.78786881 0.03525396 0.21171922 -0.11894939 -0.15624892 Cu 5.34098130 0.01488478 1.82403942 0.16041146 -0.18756373 -0.32800092 Cu 3.60820850 1.76594976 1.80597831 -0.33362677 0.05904959 -0.25416846 Cu 7.14190418 0.03449667 0.00492438 -0.01663921 0.29501308 0.37575492 Cu 8.96786523 1.76538647 0.02358017 -0.25188268 0.10406982 -0.09218650 Cu 8.94853882 0.02533550 1.79369306 -0.16727906 -0.24259651 -0.09653599 Cu 7.13562814 1.81107796 1.82270988 0.07782896 -0.35733784 -0.43736281 Cu 10.70864188 0.00105966 0.02939987 0.13271702 0.23842443 0.19438198 Cu 12.51228002 1.80486013 0.04676877 0.13864084 -0.20701235 -0.17665556 Cu 12.52383339 0.03695274 1.78851389 0.06386750 -0.25323365 -0.01502835 Cu 10.70815614 1.76087401 1.76599424 0.26619603 0.06859252 0.15452930 Cu 14.29848059 0.01047505 0.01394164 0.11574748 0.47618788 0.41191748 Cu 16.13806896 1.76092507 0.00156915 -0.53675055 0.08487764 0.50801343 Cu 16.12986549 0.02463174 1.74349281 -0.49965625 0.43404383 0.15283973 Cu 14.32073839 1.78604059 1.80754703 0.35055465 -0.08882065 -0.33725781 Cu 0.02917973 3.58872156 0.03517155 0.25251774 -0.03775062 0.20366154 Cu 1.79050987 5.38399145 0.01273365 -0.04240632 -0.23011114 -0.07065299 Cu 1.82407915 3.57954036 1.80936352 -0.30048071 -0.12333242 -0.28384632 Cu 0.03162748 5.34387016 1.80438434 -0.14419034 0.09882932 -0.18220703 Cu 3.61129439 3.57462117 0.02998793 -0.19732066 0.10984534 -0.17186933 Cu 5.36151316 5.39411671 0.03538241 -0.04593997 -0.10080292 -0.13845833 Cu 5.36496870 3.57618928 1.80943787 -0.10620228 0.11822923 -0.18730940 Cu 3.54601128 5.37432861 1.81768772 0.34703077 -0.02608178 -0.19054017 Cu 7.16370610 3.60784473 0.02103102 -0.11655145 -0.21824476 -0.11862827 Cu 8.97625576 5.33856565 0.03026910 -0.09573836 0.15859622 -0.07633368 Cu 8.91300890 3.57562787 1.81911483 0.36149948 -0.00349962 -0.35009616 Cu 7.12397102 5.35542658 1.80591389 0.15122080 0.23202804 -0.25551697 Cu 10.76712788 3.54386469 0.02493595 -0.17921423 0.25967473 -0.07789937 Cu 12.53573136 5.38284252 0.01771114 -0.00128780 -0.24129696 -0.11348891 Cu 12.51039584 3.59990717 1.81873069 0.26325937 -0.21685566 -0.31743528 Cu 10.75845952 5.37585249 1.82475664 -0.13727164 -0.08868277 -0.36182543 Cu 14.33482782 3.54222906 0.00314737 0.09813000 0.14772373 0.10780828 Cu 16.10201433 5.37556626 0.00350088 -0.33335710 -0.06107181 0.37390510 Cu 16.14061148 3.59748320 1.82463576 -0.14288340 -0.21067229 -0.35997763 Cu 14.33304643 5.37326057 1.78531491 0.17541490 -0.12920620 -0.20718423 Cu 0.02640534 7.10529112 0.00802148 0.23164434 0.14859713 0.26359472 Cu 1.79082393 8.96009699 0.01893484 -0.09346988 -0.21926916 -0.22931826 Cu 1.79201957 7.18299373 1.76266657 -0.16107641 -0.16536060 0.18001822 Cu 0.00414729 8.95233943 1.74871185 -0.10872341 -0.14878167 0.07419973 Cu 3.54663345 7.12463808 0.01319757 0.16419062 0.21084010 -0.16411734 Cu 5.37989761 8.92128586 0.02881367 -0.06533953 0.17673225 -0.24302685 Cu 5.33552409 7.19284852 1.79808515 0.22822191 -0.35376206 -0.05713797 Cu 3.60867566 8.96707016 1.77510814 -0.37818281 -0.17988806 0.05286706 Cu 7.12761753 7.16722556 0.02346345 0.19493725 -0.12915377 -0.12478802 Cu 8.92045158 8.96697945 0.00189257 0.16860019 -0.17743226 -0.03752415 Cu 8.92104309 7.14171451 1.78053483 0.25851479 0.23799565 -0.23898335 Cu 7.15800374 8.97590238 1.79562280 -0.08940256 -0.22694805 -0.24474418 Cu 10.76916240 7.14775112 0.02593251 -0.24359275 0.08957151 -0.10751609 Cu 12.55358932 8.91975950 0.00495628 -0.08496414 0.15516466 -0.14514575 Cu 12.55616638 7.16404738 1.77370836 -0.24959024 -0.12050689 0.17396792 Cu 10.75910312 8.96791729 1.78159614 -0.14089206 -0.19750917 -0.00990276 Cu 14.30580431 7.13776381 0.01535855 0.28266316 0.05670730 -0.15953075 Cu 16.10493860 8.91816350 0.02227088 -0.39048084 0.14937047 0.27567561 Cu 16.12376945 7.18947495 1.77163057 -0.04330924 -0.16344344 0.02673066 Cu 14.29355610 8.91383017 1.79527932 0.45091338 0.37850300 -0.06005153 Cu 0.03319735 10.70223456 0.00267502 0.19680073 0.15519347 0.16551662 Cu 1.79127719 12.56147587 0.01074024 -0.11176606 -0.23585884 -0.25769677 Cu 1.77782438 10.72254819 1.78494579 -0.10018812 0.06157142 -0.18670545 Cu 0.03251167 12.49636365 1.75387137 -0.13964557 0.16883216 0.07251269 Cu 3.57782963 10.70284509 0.02723805 -0.03570297 0.20446312 -0.35696972 Cu 5.33801251 12.51771706 0.00531215 0.17948290 0.06066494 -0.18971768 Cu 5.35030924 10.77110388 1.78974579 0.17879950 -0.19095073 -0.20478205 Cu 3.54158401 12.50839863 1.75837171 0.21862589 0.15255608 0.10173874 Cu 7.18150983 10.76016247 0.01694348 -0.24094746 -0.02367521 -0.19282780 Cu 8.92491802 12.56234276 0.00073047 0.15297609 -0.12340454 -0.07551199 Cu 8.91235586 10.74072687 1.77267791 0.38331873 0.15679713 -0.11730152 Cu 7.12875278 12.55016059 1.79059640 0.21885259 -0.18165705 -0.21610984 Cu 10.75526728 10.72448023 0.02935985 -0.18245838 0.02959010 -0.27380014 Cu 12.50973216 12.52190632 0.00420577 0.20252364 0.11779380 -0.18077578 Cu 12.52858841 10.75137093 1.75856229 0.09469651 -0.20132322 0.24182519 Cu 10.75935558 12.54333617 1.74347810 -0.29934132 -0.19069766 0.14801360 Cu 14.29556594 10.75601506 0.01904296 0.35074138 -0.09809800 -0.04377279 Cu 16.12032042 12.54120073 0.03012358 -0.37859526 -0.08346951 0.34853638 Cu 16.10363818 10.71547241 1.79846878 -0.12012524 0.03176769 -0.08895755 Cu 14.30037592 12.53912589 1.80915685 0.29990235 -0.16817111 -0.34016967 Cu 0.02982374 14.32691260 0.02842928 0.29376999 0.12702455 0.38287446 Cu 1.82278272 16.09179762 0.00164251 -0.10972813 -0.38055888 0.42128080 Cu 1.81150385 14.28866992 1.76522254 -0.35242171 0.44198726 0.12358837 Cu 0.03552731 16.13721373 1.82478280 0.48292287 -0.44612608 -0.16687788 Cu 3.60468062 14.31571305 0.02827257 -0.14546455 0.17349632 -0.29098397 Cu 5.39090783 16.07853795 0.03565787 -0.05864731 -0.13078942 0.14719165 Cu 5.35030206 14.32079179 1.78182964 0.11884392 0.05913900 -0.10900489 Cu 3.59468762 16.07334091 1.78943371 -0.09512379 0.25012668 -0.06523531 Cu 7.15335288 14.33000771 0.01571528 0.05798717 0.06541613 -0.07042227 Cu 8.97464781 16.12552289 0.03360379 -0.05465550 -0.40231803 0.32843140 Cu 8.96455644 14.30861687 1.81611042 -0.04485998 0.21967512 -0.36854888 Cu 7.17505215 16.08859242 1.78953930 -0.06511641 0.11300482 -0.11861149 Cu 10.75766684 14.32173034 0.03384797 -0.15422640 0.23039294 -0.29862332 Cu 12.52337976 16.13560584 0.01364446 0.09168156 -0.43404639 0.39571908 Cu 12.49145651 14.31840985 1.79419758 0.40106454 0.28044106 -0.30480949 Cu 10.74900761 16.08393508 1.80008868 -0.06982783 0.17038329 -0.06209698 Cu 14.34777667 14.31825201 0.00989723 -0.05158568 0.15623065 0.07055354 Cu 16.08322951 16.10344735 0.01819496 -0.49878685 -0.54575986 0.53829035 Cu 16.08324100 14.28501332 1.81396952 0.15428974 0.43108438 -0.24077308 Cu 14.32662103 16.08939759 1.80324712 0.15146980 0.05022963 -0.27297832 Cu 0.02488463 0.02737764 3.61468778 0.19642862 0.14213341 -0.16641156 Cu 1.79529188 1.76577233 3.57404644 -0.15331293 0.14098428 0.12931091 Cu 1.81025946 0.01707543 5.36431700 -0.19733000 -0.15223717 0.10521684 Cu 0.00694845 1.76608259 5.33458238 -0.08194094 0.12401618 0.23851886 Cu 3.54869317 0.02868002 3.58038370 0.17454924 -0.38197386 0.03155080 Cu 5.34405000 1.78929541 3.57239837 0.22032538 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0.15782539 -0.38218699 Cu 12.55798148 3.61446881 5.34277199 -0.30366087 -0.31787771 0.43401386 Cu 10.73695110 5.34339609 5.33524550 -0.11126470 0.08683316 0.29517099 Cu 14.31062139 3.60633497 3.60341622 0.30942186 -0.12331948 -0.24470778 Cu 16.10973696 5.34569590 3.54252423 0.13324920 0.22758379 0.20164675 Cu 16.09413073 3.60445314 5.37664886 0.19443613 -0.10232864 -0.01213950 Cu 14.31350537 5.39344100 5.39023034 0.37341953 -0.02521518 0.00604308 Cu 0.02101702 7.13118756 3.57457639 -0.10868575 0.11418904 0.04146397 Cu 1.76671171 8.95766755 3.58275168 0.11865953 -0.20620153 -0.09079536 Cu 1.80404560 7.13878572 5.37208742 -0.31244470 0.17497377 0.01655902 Cu 0.03313584 8.96709310 5.34832217 -0.23212713 -0.24061811 0.17446795 Cu 3.59439548 7.13743443 3.61249927 -0.28453398 0.17649625 -0.28601489 Cu 5.33318806 8.97550121 3.54550823 0.28305952 -0.16949856 0.28499737 Cu 5.39883581 7.14023814 5.35231878 -0.07965018 0.30120273 0.20731064 Cu 3.59223925 8.92813141 5.33911791 -0.07043090 0.14315389 0.30353972 Cu 7.18456190 7.19383165 3.60020306 -0.21001064 -0.16480156 -0.29850383 Cu 8.94646305 8.97663406 3.56454625 0.22405331 -0.27437388 0.07054370 Cu 8.93939434 7.13506596 5.40355996 0.16598283 0.12072529 -0.36710832 Cu 7.18020172 8.92976408 5.34284516 -0.21010443 0.27695326 0.29275284 Cu 10.71260069 7.13980002 3.58060386 0.13394917 0.31865066 -0.11665072 Cu 12.56057524 8.92041992 3.60728230 -0.25825373 0.35953611 -0.29689873 Cu 12.49368426 7.15980507 5.33952413 0.24421239 -0.09390411 0.23617647 Cu 10.77243073 8.97078006 5.37501069 -0.37117899 -0.13645410 -0.26192231 Cu 14.32575128 7.12854671 3.59287065 0.28657202 0.23568042 -0.09778155 Cu 16.12329301 8.92176164 3.61006627 -0.10870859 0.19965324 -0.15435538 Cu 16.11514674 7.17991050 5.34721510 0.09171753 -0.22105694 0.21941331 Cu 14.29599164 8.92952543 5.39786943 0.44731362 0.14544699 -0.25789503 Cu 0.01445948 10.70347838 3.55268392 -0.16425105 0.21345239 0.14827467 Cu 1.78733803 12.49163989 3.61047544 -0.17889263 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