4000 Lattice="35.92975362266038 0.0 0.0 0.0 35.92975362266038 0.0 0.0 0.0 35.92975362266038" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13543.595873851113 stress="-83.70867355052766 0.837398325238297 2.529657271172244 0.837398325238297 -85.66109260157396 -5.532383638392616 2.529657271172244 -5.532383638392616 -84.6714043793227" pbc="F F F" Cu -0.03128855 0.03558117 0.01123851 0.71718472 0.62508345 0.64727835 Cu 1.78591778 1.82393632 0.00158686 -0.01453067 -0.43097954 0.10901112 Cu 1.78987342 -0.03581374 1.80190661 -0.15300409 0.39259477 -0.16854328 Cu -0.02421089 1.79026984 1.76194632 0.25108649 -0.19902559 0.11614820 Cu 3.61000199 -0.02443155 0.00042438 -0.11156108 0.55597109 0.61115026 Cu 5.35679190 1.76915229 -0.03455683 0.05300746 -0.02924105 0.18303996 Cu 5.43693027 -0.00746647 1.80541821 -0.22987760 0.06339572 -0.19950446 Cu 3.61343481 1.81485611 1.79157003 -0.10578125 -0.40908080 -0.11767192 Cu 7.21952016 -0.00158671 0.03390146 -0.04754009 0.40611819 0.34015550 Cu 8.96549314 1.80750053 -0.00849617 0.02000791 -0.08739015 0.13544090 Cu 8.99163278 0.01646642 1.83176809 -0.11306104 0.02837287 -0.19510215 Cu 7.15378645 1.79589014 1.76217535 0.17288608 -0.05740952 0.12155270 Cu 10.77640510 0.01544233 0.03114453 -0.11484557 0.23154747 0.31740642 Cu 12.53754933 1.73364098 -0.01543840 0.27615674 0.20834669 0.14861311 Cu 12.60226494 -0.01187868 1.80369990 -0.05372734 0.08936423 -0.04307163 Cu 10.79072024 1.76243008 1.76606848 -0.13715720 0.05303007 0.17215828 Cu 14.35583566 0.01975054 0.01875708 0.07789161 0.45258062 0.38762098 Cu 16.20308886 1.82105531 0.03304747 -0.28867372 -0.20940497 -0.12680259 Cu 16.13371257 -0.03223433 1.77095974 0.13478917 0.07446226 -0.01364318 Cu 14.40235131 1.82819504 1.81443477 -0.44965610 -0.28002715 -0.20204238 Cu 17.93986370 0.02068697 0.01917039 0.06459536 0.21506276 0.27805329 Cu 19.75055621 1.76008818 -0.01424098 0.06812985 0.20115254 0.11943328 Cu 19.78087731 0.03828971 1.80006175 -0.04993889 -0.18865235 -0.08482131 Cu 17.96451515 1.72909345 1.77238415 0.00423906 0.32231359 0.22456114 Cu 21.52267047 0.02104359 0.01527349 0.16529517 0.38383061 0.44778926 Cu 23.32181694 1.79650644 -0.00743466 0.17192218 -0.22768665 0.13362259 Cu 23.38141439 -0.01178660 1.80778522 -0.06219769 0.14517781 -0.18767949 Cu 21.57746209 1.80096675 1.82922577 -0.15475210 -0.14576670 -0.34579759 Cu 25.15775510 0.00467352 -0.01813003 -0.01270849 0.55812251 0.57456363 Cu 26.95791342 1.77745028 -0.01358353 -0.07626705 -0.09933458 0.18769200 Cu 26.92591982 0.00069244 1.82946519 0.15384165 0.16121324 -0.28037532 Cu 25.13056404 1.80637474 1.81894095 0.12200101 -0.22317937 -0.26464083 Cu 28.73019490 0.01057141 -0.02884510 0.04917768 0.51583622 0.60519328 Cu 30.57246652 1.81807733 0.00417221 -0.15895354 -0.22483821 -0.06203874 Cu 30.56047307 0.03389873 1.78637915 -0.09201447 -0.04665824 -0.12593792 Cu 28.77233628 1.80459519 1.78069116 -0.23743880 -0.35107795 0.00992622 Cu 32.36488514 0.03519935 0.02626711 -0.02547891 0.37283981 0.38191430 Cu 34.09771070 1.82318139 0.03481843 -0.27126124 -0.08717458 0.38627976 Cu 34.13942995 -0.02427494 1.77340828 -0.57445468 0.63624391 0.11884930 Cu 32.35764230 1.78613628 1.77734208 0.08045528 -0.10954448 0.26132067 Cu 0.02599461 3.61111857 0.01642494 0.26407609 -0.06191405 0.34446764 Cu 1.80266680 5.36140196 0.02281750 -0.21892864 0.25051105 -0.14897386 Cu 1.79250601 3.57059933 1.76136756 -0.11671463 -0.08033965 0.36212146 Cu 0.04104884 5.39732267 1.81854563 -0.16417372 -0.07187820 -0.18865109 Cu 3.57881589 3.61636361 0.01300073 0.15941120 -0.19658228 -0.09408442 Cu 5.37051523 5.37816630 -0.00936880 0.12329371 0.19168756 0.14731890 Cu 5.39366972 3.60885219 1.82917633 -0.18470179 -0.04160958 -0.22815565 Cu 3.55951688 5.40624909 1.76715222 0.36230291 -0.20286548 0.23507025 Cu 7.13043457 3.59165195 0.01501791 0.17206746 -0.00523917 -0.03686729 Cu 8.97281354 5.40817552 -0.00151956 0.07179597 -0.17727660 -0.01622289 Cu 8.98064822 3.61440202 1.80353126 -0.01312189 -0.36736833 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1.80570903 30.52888693 -0.23504421 -0.10021682 0.20993788 Cu 28.71521128 0.02036061 28.71506291 0.18511888 -0.15440679 0.13350344 Cu 30.54563570 1.77291074 28.75162804 0.09625415 -0.12036004 -0.13785300 Cu 30.50531387 0.02154696 30.55446672 0.17503300 -0.14297507 -0.18416617 Cu 28.77220922 1.82901902 30.51619430 -0.35428587 -0.40938417 0.24377192 Cu 32.31970036 -0.00314300 28.71139598 0.26498227 0.13294191 0.21700458 Cu 34.13086526 1.80067168 28.77378279 -0.08619349 -0.09999109 -0.14046605 Cu 34.14643471 0.02797309 30.55088070 -0.48303923 0.31992557 -0.10031596 Cu 32.36475539 1.81581181 30.55438395 -0.17165255 -0.19038079 -0.18939939 Cu 0.01902956 3.60298827 28.72225519 -0.17062469 -0.11448092 0.17000221 Cu 1.83020629 5.36938421 28.76284979 -0.23539803 0.25390175 -0.29430169 Cu 1.74829043 3.61102125 30.52391684 0.08903067 -0.18402705 0.37503426 Cu -0.01706915 5.42061971 30.51973931 0.06670539 -0.11883594 0.20187447 Cu 3.58015425 3.60878485 28.75741036 0.13341592 -0.05708433 -0.15280584 Cu 5.37026267 5.40485158 28.72072104 0.09200265 -0.17210056 0.17785027 Cu 5.41464264 3.62507057 30.51526509 -0.38301765 -0.25930505 0.20331741 Cu 3.57064583 5.41151288 30.56865959 0.16492966 -0.19805269 -0.03185743 Cu 7.15215486 3.56220130 28.75889763 0.40722000 0.35412081 -0.12132449 Cu 9.00289193 5.41433015 28.75812317 -0.28304269 -0.42243120 -0.07322198 Cu 8.97091374 3.62076538 30.57534360 0.03017320 -0.29734142 -0.31684589 Cu 7.19151888 5.38292945 30.56097382 0.10955783 0.13742696 -0.22455012 Cu 10.79767873 3.56339329 28.71608705 -0.24747223 0.09960535 0.22968856 Cu 12.55641525 5.42361333 28.72166476 0.05427739 -0.29763877 0.19497012 Cu 12.57629853 3.56364800 30.50565585 -0.09736426 0.33132581 0.20975654 Cu 10.76045342 5.35319182 30.57668427 0.26895863 0.21109959 -0.15550145 Cu 14.33403352 3.61879696 28.75961429 0.01806106 -0.16289882 -0.18476531 Cu 16.14715420 5.36274734 28.71101732 0.18192934 0.24139428 0.19779420 Cu 16.14665320 3.61776016 30.52582065 0.25567145 -0.30645875 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0.21254717 -0.35649038 Cu 30.56385972 5.37887425 28.71498373 -0.13745025 0.00411040 0.14543247 Cu 30.51417279 3.59924158 30.51664934 0.28758182 -0.11573767 0.27563034 Cu 28.77420159 5.39174982 30.53417621 -0.14604352 -0.02537628 0.02091692 Cu 32.30931901 3.57255573 28.72708711 0.37160249 0.08643797 0.08689169 Cu 34.11688306 5.38923171 28.72908648 -0.07260422 -0.01106770 0.10521522 Cu 34.16358215 3.59361565 30.58152465 -0.09205098 0.05759850 -0.22086307 Cu 32.31102333 5.36992754 30.55484516 0.38435623 0.06238046 -0.15896445 Cu 0.00179572 7.20826524 28.79535913 -0.05886340 -0.07592226 -0.33590497 Cu 1.82290834 8.97271599 28.72394460 -0.35077884 0.18978497 0.07095369 Cu 1.78962884 7.19358192 30.49678895 -0.17306955 -0.06717528 0.36809656 Cu -0.03443493 8.94962204 30.56982539 0.12822176 0.22946954 -0.07387691 Cu 3.61388480 7.19434181 28.76511257 -0.08840981 -0.08991123 -0.30694365 Cu 5.36865174 9.01541105 28.77864907 0.25203344 -0.21357185 -0.31034734 Cu 5.41416415 7.22301087 30.52034741 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28.76301006 -0.24915652 0.09924181 -0.17236111 Cu 19.78854004 8.95173197 28.75510809 -0.33325741 0.26676553 0.07576766 Cu 19.74746762 7.17234502 30.51538931 0.11296488 0.15265420 0.21126876 Cu 17.93180343 8.95850681 30.50883599 0.17329888 0.22685859 0.28106901 Cu 21.57754243 7.21329332 28.76697485 -0.12195463 -0.32774090 -0.18612031 Cu 23.36343887 8.94840057 28.71730247 -0.01195767 0.27108818 0.34805633 Cu 23.34111964 7.14520212 30.55810835 0.23457420 0.22669898 -0.22500474 Cu 21.58621956 8.97236175 30.53376050 -0.08827656 0.17192842 0.11192706 Cu 25.15954063 7.13448060 28.75810159 -0.08307751 0.28586477 -0.14901427 Cu 26.93184317 8.96910581 28.69635206 0.17662371 0.11185250 0.19451045 Cu 26.93109995 7.19205773 30.51975731 0.29126999 0.12031865 0.05016807 Cu 25.14517663 8.97150087 30.50682451 0.06317012 0.13085334 0.10007575 Cu 28.76590902 7.18934351 28.72315049 -0.03817174 0.17709771 0.18525796 Cu 30.58266127 9.00310694 28.77905372 -0.19962301 -0.36329549 -0.13951434 Cu 30.51627209 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34.16648736 0.17085496 -0.06024837 -0.10728334 Cu 25.16781626 12.55529051 34.12080251 -0.08118342 0.21204674 0.16357369 Cu 28.78451409 10.74344804 32.31001440 -0.19427362 0.29385033 0.40998236 Cu 30.57183814 12.57750260 32.35989409 -0.36031858 -0.10012550 0.01689005 Cu 30.59387828 10.76105072 34.16097055 -0.27249669 0.03486140 -0.09574428 Cu 28.76040859 12.58037094 34.16052338 -0.01773233 -0.07423770 -0.27599128 Cu 32.37020040 10.79341773 32.36504613 -0.14339214 -0.16954755 -0.14296281 Cu 34.10318285 12.57391080 32.35777601 0.13586346 0.03484650 0.06266513 Cu 34.14429663 10.79805426 34.16715672 -0.44644831 -0.05069909 -0.45735337 Cu 32.34277004 12.55347560 34.13050017 0.15104830 0.14512555 0.17629229 Cu 0.01199612 14.39672801 32.39705432 0.13836399 -0.19465259 -0.19558530 Cu 1.81296754 16.20437336 32.31407347 -0.16429488 -0.12507149 0.52296915 Cu 1.82167397 14.36741862 34.11978932 -0.03601578 0.05792824 -0.14176079 Cu -0.03556573 16.14942571 34.12710036 0.65555838 0.14362200 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34.15804220 34.10464841 -0.00021556 -0.49872179 -0.41324671 Cu 32.31370745 32.35700718 32.35009446 0.38343488 -0.05369529 0.22455146 Cu 34.11953132 34.12648977 32.31744755 -0.53528251 -0.54112302 0.08068596 Cu 34.12479256 32.37105601 34.12191417 -0.55590892 -0.04134542 -0.60005398 Cu 32.34892422 34.13997137 34.14251451 -0.05320288 -0.61398478 -0.59507422