864 Lattice="21.519621413736076 0.0 0.0 0.0 21.519621413736076 0.0 0.0 0.0 21.519621413736076" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2785.646452614041 stress="-0.0032272980608627905 2.1629359510644713e-05 0.000104029035489849 2.1629359510644713e-05 -0.0031772374714982604 -0.0001188507536953334 0.000104029035489849 -0.0001188507536953334 -0.003237797967892241" pbc="F F F" Cu 0.00561231 0.00675223 0.01656944 0.61984396 0.62586807 0.65118493 Cu 1.73644987 1.82175944 0.03078968 0.09810409 -0.25215523 -0.21289743 Cu 1.80818249 0.02595837 1.81457125 -0.19229078 -0.14539306 -0.11614067 Cu 0.03363795 1.81503721 1.81852123 -0.19728626 -0.10280710 -0.03835205 Cu 3.59177061 0.01399348 0.01788393 -0.12308785 0.38245507 0.28795345 Cu 5.38678433 1.81212490 0.01757252 -0.15193339 -0.08782524 -0.31625197 Cu 5.37924740 0.02541379 1.76466133 -0.07313352 -0.19388168 0.18460257 Cu 3.56401101 1.80189838 1.78778082 0.04213854 -0.07315481 0.14135592 Cu 7.10906781 0.00867072 0.00472236 0.13021277 0.24281672 0.26023281 Cu 8.92533496 1.75837983 0.00428628 0.14562666 0.15755231 -0.16162763 Cu 8.97044173 0.02127263 1.77539933 -0.08093623 -0.26365555 -0.09073787 Cu 7.14902956 1.82678115 1.75421741 0.18231025 -0.17203389 0.21013550 Cu 10.75550013 0.00469308 0.00869165 0.00079728 0.25038881 0.25864817 Cu 12.52930412 1.77854408 0.01917652 0.17432613 0.01374961 -0.24220971 Cu 12.53381133 0.01386103 1.82249933 0.20809955 -0.33699984 -0.31051100 Cu 10.78733748 1.76497068 1.77198392 -0.23413775 0.28923827 0.02835635 Cu 14.36660285 0.02226963 0.01412770 -0.06587618 0.35109016 0.39659395 Cu 16.17161185 1.76657547 0.00308541 -0.07073067 0.08011905 -0.04825176 Cu 16.13781083 0.01471340 1.81517868 0.07482393 -0.15671524 -0.17924406 Cu 14.32788345 1.81278562 1.82574314 0.22031494 -0.15423324 -0.43427689 Cu 17.95012241 0.00024918 0.02112201 0.00456561 0.39540379 0.43284846 Cu 19.72706103 1.79563743 0.01040887 -0.38004445 -0.02489471 0.44078446 Cu 19.75450006 0.01206283 1.77574210 -0.55426495 0.51410226 0.11482467 Cu 17.93682717 1.78867752 1.76635678 0.10377037 -0.01688448 0.22860825 Cu 0.01166466 3.59516446 0.00637103 0.25865269 0.02248712 0.32595543 Cu 1.82574863 5.37583782 0.03158077 -0.21716806 0.09592445 -0.30941367 Cu 1.82015585 3.63192922 1.76872408 -0.17852857 -0.24797237 0.32188782 Cu 0.00888800 5.35904194 1.82073750 -0.17997167 0.12529363 -0.14260708 Cu 3.56628349 3.55201603 0.03395366 0.08979377 0.02327684 -0.38113105 Cu 5.39744407 5.34743311 0.03542524 -0.21508039 0.08898356 -0.41041269 Cu 5.38757475 3.57375082 1.79758371 -0.22326230 -0.05446415 0.27369285 Cu 3.60873420 5.38885492 1.75952453 -0.08927254 -0.15581331 0.38567731 Cu 7.13749102 3.60562222 0.00083399 0.26388138 -0.11754312 -0.28476935 Cu 8.93254679 5.41548514 0.00471292 0.04186852 -0.14259290 -0.15403655 Cu 8.98045114 3.60603544 1.76644677 -0.06540350 -0.15973648 0.17775174 Cu 7.13780833 5.36318730 1.79040314 0.40313827 0.02150755 0.21154209 Cu 10.76616508 3.62775311 0.02550723 -0.08793040 -0.19158181 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0.00288678 0.12134127 -0.11699615 -0.05721061 Cu 19.69724386 12.54584850 0.02001616 -0.23979464 0.08739909 0.29841752 Cu 19.70411797 10.77368181 1.78733056 0.20431690 -0.13037550 -0.03227740 Cu 17.96224918 12.51901856 1.82818676 -0.11979041 0.23876117 -0.25096179 Cu 0.02427159 14.36525999 0.03100859 0.17090307 -0.09589755 0.18217387 Cu 1.80494961 16.12056971 0.00363750 -0.13848919 0.20637885 -0.17241921 Cu 1.76713194 14.33797795 1.78182520 0.32477668 0.10858585 0.22543125 Cu 0.02763556 16.12267209 1.77440720 -0.21148652 0.20882494 0.02612907 Cu 3.53594611 14.37407332 0.01834687 0.13446578 -0.12554408 -0.12278606 Cu 5.41247524 16.12632351 0.03329286 -0.15092050 0.15706163 -0.21023918 Cu 5.38294233 14.32151218 1.77876327 -0.01821698 0.21449392 0.22447921 Cu 3.61205348 16.17735414 1.80199833 -0.26708830 -0.21884688 0.11474328 Cu 7.16985458 14.38259976 0.00277556 0.14970038 -0.18872814 -0.07687845 Cu 8.99146080 16.17280488 0.01804666 -0.03679903 -0.09525618 -0.21388861 Cu 9.00026063 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0.33182803 Cu 12.57815097 17.89837289 1.80301584 -0.13830182 0.18966960 0.06289118 Cu 10.75241764 19.69628706 1.77706022 0.11388461 0.33949935 0.09870945 Cu 14.37334236 17.90372314 0.01475539 -0.11538058 0.32451420 -0.14082115 Cu 16.10849394 19.76026527 0.00556784 0.09453365 -0.36589221 0.34913454 Cu 16.17556316 17.96529868 1.76157176 -0.11285423 -0.18823638 0.23245807 Cu 14.37534998 19.74753481 1.82692907 -0.16616265 0.01575285 -0.22450418 Cu 17.90189152 17.94361051 0.01776802 0.31736475 0.02469850 -0.07786356 Cu 19.74824025 19.72865434 0.03162325 -0.66083191 -0.66494115 0.65041763 Cu 19.72710863 17.92203896 1.81421246 -0.03223009 0.07796975 -0.17723595 Cu 17.94005615 19.75664846 1.78994772 0.12484978 0.02978713 -0.08247607 Cu 0.00139843 0.00295423 3.61543287 0.32162593 0.36146505 -0.17532019 Cu 1.79099809 1.82461348 3.60742336 -0.04500592 -0.13074784 -0.24785291 Cu 1.75544273 0.02502068 5.36182418 0.16082137 -0.16035694 0.17401773 Cu 0.02201671 1.78824661 5.38532062 -0.27638681 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10.78598456 19.72153906 0.08206395 -0.06699493 0.14895191 Cu 3.61996436 12.56739090 19.75209024 -0.21530578 -0.21411497 0.05205629 Cu 7.13916122 10.79067237 17.89808393 0.26093942 -0.18432394 0.31302322 Cu 8.95721331 12.56821413 17.96431625 0.14370625 -0.15088819 -0.20963132 Cu 8.93860648 10.79520242 19.74667117 0.12605812 -0.10362776 0.05364912 Cu 7.19783928 12.58521690 19.72391747 -0.23622223 0.00102595 0.10719148 Cu 10.76973776 10.74557943 17.96794028 -0.03590013 0.08321406 -0.25783701 Cu 12.57862826 12.58823985 17.96231825 -0.16991996 -0.20665748 -0.30888674 Cu 12.56970273 10.72840367 19.73014131 -0.09882333 0.12850976 0.17940425 Cu 10.79262543 12.56840055 19.72695870 -0.03390022 -0.09786727 0.16138020 Cu 14.32428260 10.79250995 17.95702421 0.14618581 -0.17784475 -0.40665988 Cu 16.17498327 12.52577317 17.89276354 -0.23483157 0.16447773 0.07617856 Cu 16.14962686 10.73378341 19.70942489 0.03521800 0.15654650 0.15319251 Cu 14.33665689 12.57530438 19.72172340 0.20602952 -0.10871526 0.16390524 Cu 17.91911249 10.73885369 17.90367803 0.21526096 0.15578418 0.19911487 Cu 19.69067234 12.58962495 17.98921859 0.22301806 -0.11861498 -0.23393934 Cu 19.74217537 10.79690502 19.70709787 -0.46581373 -0.13845522 -0.38708938 Cu 17.92344271 12.58388439 19.71062073 0.02314549 -0.13744500 0.21272325 Cu 0.03182457 14.37062222 17.93478365 -0.30715100 -0.15504657 0.10036056 Cu 1.77739638 16.12393588 17.92826042 0.18486783 0.22759667 0.11150076 Cu 1.82833288 14.31148840 19.70598625 -0.16099167 0.13523563 0.26395012 Cu 0.02190798 16.12670229 19.72069866 0.37370192 0.08475698 -0.29133742 Cu 3.59776886 14.33619437 17.93401596 -0.08684834 0.09080747 -0.11423976 Cu 5.37111522 16.16681414 17.93190823 0.20200159 -0.10430676 -0.13365743 Cu 5.34876486 14.32641341 19.72326739 0.20395635 0.04274391 0.08724485 Cu 3.59923967 16.12646628 19.71096898 -0.14138227 0.12119872 0.20338511 Cu 7.18657922 14.37346975 17.88150962 -0.18522781 -0.09324538 0.28682391 Cu 8.94392332 16.17153797 17.92281017 0.25822717 -0.11406905 0.15709813 Cu 8.99673192 14.32048534 19.74048314 -0.00436194 0.25354190 0.04306501 Cu 7.14176092 16.08085256 19.72784497 0.12761018 0.14435948 0.09814151 Cu 10.77717051 14.33878687 17.90507873 -0.09950694 0.16870484 0.16206667 Cu 12.54916745 16.10659838 17.94406504 -0.07145782 0.18518601 -0.02908360 Cu 12.58878552 14.33220554 19.75708269 -0.14573868 0.17757311 0.10106516 Cu 10.77101739 16.16812532 19.74787238 -0.08407150 -0.09739671 -0.03654684 Cu 14.35949179 14.36094337 17.88985405 0.10090186 -0.12048379 0.15274759 Cu 16.13481696 16.16853164 17.93276006 0.07204431 -0.22411359 -0.05333889 Cu 16.12224564 14.34374479 19.69997167 0.09974818 0.04288587 0.09869091 Cu 14.33907800 16.13877517 19.73099070 -0.06206628 0.09121693 0.07739707 Cu 17.96399742 14.34947880 17.93655913 -0.25259579 0.08113091 -0.10513048 Cu 19.72658330 16.13149326 17.92486493 0.22948992 0.11975291 0.09167897 Cu 19.71714813 14.41252994 19.76132453 -0.22621777 -0.15201822 -0.30891533 Cu 17.96805219 16.11666860 19.69721490 -0.22254044 0.19352483 0.21363474 Cu 0.01998346 17.91551720 17.92319810 -0.14396369 0.17380466 0.15769348 Cu 1.81219910 19.72200591 17.91920733 -0.13063455 0.11967472 0.16601028 Cu 1.81056778 17.94987593 19.70494786 -0.14761059 -0.04671804 0.08364046 Cu 0.03550887 19.74473257 19.75820890 0.66231194 -0.67603701 -0.71231571 Cu 3.61235603 17.90491558 17.92422624 -0.20748277 0.23742195 0.07039586 Cu 5.35635586 19.74450651 17.90427131 0.09761134 0.02781392 0.24531798 Cu 5.40181118 17.92388308 19.72049316 -0.03957580 0.20294848 0.13208248 Cu 3.55444062 19.70945391 19.71161541 0.07963199 -0.31948667 -0.33805747 Cu 7.18706265 17.97338641 17.95906910 -0.23792100 -0.15794737 -0.18508680 Cu 8.94228555 19.69933798 17.90064972 0.06808284 0.23604699 0.17788393 Cu 8.93628586 17.92428381 19.72130706 0.15681445 0.05116548 0.14538210 Cu 7.20866169 19.73433172 19.74072564 -0.11195297 -0.31647376 -0.38884812 Cu 10.78293440 17.95179132 17.90467239 -0.21321733 -0.19443523 0.27158082 Cu 12.56349318 19.71861041 17.95780444 -0.13327700 0.32803564 -0.06881415 Cu 12.51472283 17.95958654 19.70308803 0.10276252 -0.07552162 0.23240660 Cu 10.73813135 19.75305680 19.70699262 -0.07499699 -0.39587801 -0.36790108 Cu 14.31703147 17.95896498 17.91724492 0.13221208 -0.24553375 0.10054942 Cu 16.16836642 19.70558761 17.90535156 -0.06749255 0.13291406 0.18168014 Cu 16.10901347 17.90393697 19.71880072 0.20578710 0.21351376 0.10271858 Cu 14.31582376 19.70629174 19.71068205 0.14834186 -0.28307302 -0.27908596 Cu 17.90768735 17.91798201 17.91251977 0.31105910 0.14872543 0.21281246 Cu 19.72587634 19.75771162 17.96810823 -0.57141198 -0.61583582 -0.13001839 Cu 19.69506461 17.90847089 19.72992657 -0.41198170 0.07120949 -0.51625244 Cu 17.95692627 19.72656420 19.69361642 -0.10258413 -0.52717544 -0.43030298