864 Lattice="21.5079402923584 0.0 0.0 0.0 21.5079402923584 0.0 0.0 0.0 21.5079402923584" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2834.0375968267026 stress="-0.006896943828781765 0.00010531512736189613 0.00017885452006129762 0.00010531512736189613 -0.0068932909131923245 0.0003132270643152961 0.00017885452006129762 0.0003132270643152961 -0.0066524206824923075" pbc="F F F" Cu 0.00145649 0.01012927 0.00731911 0.59243663 0.57197155 0.59325874 Cu 1.80592286 1.75592770 0.00098861 -0.22948968 0.17616526 0.10667375 Cu 1.79426799 0.01383094 1.81435743 -0.22198279 -0.01852377 -0.21827007 Cu 0.01315674 1.79212548 1.79610104 0.08654188 -0.04399464 -0.12252490 Cu 3.52542773 0.02811526 0.01599277 0.14641005 0.21604521 0.28876248 Cu 5.37555122 1.75813011 0.02104518 -0.10508328 0.13166509 -0.13790184 Cu 5.38371321 0.03309112 1.74428998 -0.11700270 -0.13166354 0.12174323 Cu 3.54983846 1.82216112 1.81066623 0.30438717 -0.25037041 -0.34261336 Cu 7.18499240 0.03018653 0.00359700 -0.03498072 0.21133693 0.22600163 Cu 8.97825690 1.77185809 0.02259663 -0.08301506 -0.02836206 -0.22233750 Cu 8.93355419 0.01381576 1.77680456 0.14722050 -0.08123015 0.11365508 Cu 7.14977289 1.78762775 1.79103843 0.18588922 -0.08265762 -0.09886028 Cu 10.73573069 0.01274274 0.03368089 0.02989495 0.19287837 0.18292540 Cu 12.50210615 1.80838317 0.03825179 0.29235167 -0.22170433 -0.19271752 Cu 12.52611361 0.03077468 1.75730114 0.11349940 -0.11037511 0.14098938 Cu 10.72353310 1.79716833 1.77259272 0.22681827 -0.29835318 0.18524167 Cu 14.32153488 0.02019894 0.00330761 0.06949352 0.43881328 0.40404386 Cu 16.16900483 1.82169599 0.04085717 -0.18529766 -0.20151303 -0.21370063 Cu 16.14634807 0.02747656 1.80995288 -0.05811702 -0.14161907 -0.32119122 Cu 14.35687348 1.77575669 1.80336430 -0.20002310 -0.01027740 -0.21063998 Cu 17.95977928 0.01580370 0.00944296 -0.00962053 0.40279069 0.42502055 Cu 19.71588580 1.82272155 0.01205529 -0.40349249 -0.10181041 0.43309592 Cu 19.72511444 0.01238485 1.81861298 -0.36998783 0.39485533 -0.16153870 Cu 17.91633829 1.76166060 1.77586901 0.33167033 0.07971880 -0.10123843 Cu 0.01401804 3.54932616 0.02334270 0.33862195 0.05496545 0.30468190 Cu 1.81554895 5.34761817 0.02605408 -0.24144646 0.13142816 -0.14152497 Cu 1.80829416 3.61107062 1.81173013 -0.28419749 -0.29752106 -0.39371121 Cu 0.02311556 5.34428110 1.82365727 -0.11111367 0.11293464 -0.33320249 Cu 3.63608847 3.61813570 0.01827464 -0.21671161 -0.25275394 -0.15851658 Cu 5.40318186 5.40544298 0.02923464 -0.18284308 -0.26378327 -0.25970574 Cu 5.40296098 3.57501587 1.79074157 -0.15195649 0.16283064 -0.08273747 Cu 3.56150928 5.36837358 1.78682705 0.43129956 0.02899585 -0.08568005 Cu 7.20380391 3.55585695 0.03210106 -0.15431043 0.20598266 -0.21890895 Cu 8.99509932 5.41115487 0.00849723 -0.13622455 -0.28438647 -0.02478847 Cu 8.98651911 3.54945966 1.76415039 -0.22705041 0.37983315 0.08582712 Cu 7.15053550 5.41252312 1.76185276 0.33155272 -0.43942261 0.23056969 Cu 10.77129879 3.56222945 0.01456312 -0.12869672 0.19994439 -0.17790538 Cu 12.51811602 5.39787507 0.00180786 0.06091763 -0.20344013 -0.11773981 Cu 12.51904965 3.59059395 1.82085236 0.22620661 -0.15626711 -0.28690858 Cu 10.77772140 5.34502085 1.82344293 -0.25904351 0.28696324 -0.32081040 Cu 14.32330140 3.59388828 0.03443555 -0.04266413 -0.16245261 -0.10854252 Cu 16.10034549 5.34377740 0.03989858 0.25828185 0.09645859 -0.15260523 Cu 16.10725387 3.58444570 1.81680475 0.28916758 -0.01388362 -0.18370413 Cu 14.31696517 5.35975937 1.79006433 0.08066203 0.10365926 -0.09469617 Cu 17.95314391 3.60126476 0.01875914 -0.05285131 0.00494440 0.05447565 Cu 19.70665142 5.37196579 0.00946078 -0.29276960 0.02427292 0.36484610 Cu 19.68212136 3.58291273 1.81551317 0.24190007 0.07418920 -0.27246014 Cu 17.94316026 5.41495967 1.81540037 0.04010872 -0.29392745 -0.26168507 Cu 0.02373629 7.13951964 0.00821436 0.34291158 -0.01419207 0.39489616 Cu 1.75350187 8.96649784 0.02787817 0.11497369 -0.15878126 -0.14161443 Cu 1.81108479 7.13911031 1.82021281 -0.34338386 0.17720082 -0.49287847 Cu 0.03763227 8.92650993 1.80722216 -0.15034572 0.05239264 -0.16726602 Cu 3.60207539 7.20016865 0.00846445 -0.22557701 -0.22115286 -0.07584694 Cu 5.34691888 8.92960256 0.01691378 0.17306000 0.17946039 -0.11983448 Cu 5.38904330 7.15460809 1.76178848 -0.23036859 0.17414799 0.29797040 Cu 3.56370008 8.93497893 1.82529748 0.16407449 0.16858262 -0.35750074 Cu 7.14849059 7.13432325 0.03312909 0.15309589 0.20908460 -0.39292739 Cu 8.93889405 8.92848834 0.02547667 0.18376008 0.07245002 -0.30206402 Cu 8.92848845 7.19137000 1.80542015 0.34685796 -0.42375456 -0.16789137 Cu 7.20209064 8.92444789 1.77011719 -0.42591124 0.36013114 0.08608010 Cu 10.73481891 7.13605521 0.01952515 0.14681915 0.21565587 -0.05207027 Cu 12.57777640 8.94709421 0.03064817 -0.21137152 -0.00719178 -0.14202770 Cu 12.54955677 7.13541628 1.77584385 -0.10074923 0.33287149 0.10105718 Cu 10.72986349 8.94875426 1.80209834 0.34092139 0.06888678 -0.23625976 Cu 14.33028494 7.13301920 0.02639891 0.08464964 0.08377296 -0.18637410 Cu 16.10461862 8.96399602 0.03301101 0.20622868 -0.12636718 -0.25925152 Cu 16.12230329 7.16700958 1.82441663 0.11400129 0.02217205 -0.37354303 Cu 14.35107991 8.92902739 1.76058482 -0.11042490 0.23604734 0.24328214 Cu 17.92406313 7.13864149 0.02826467 0.07762238 0.15010947 -0.01432292 Cu 19.72391068 8.93371569 0.00648113 -0.47986507 0.06444250 0.49729414 Cu 19.73561289 7.14258328 1.82063157 -0.06967319 0.17594720 -0.20410580 Cu 17.90825056 8.95935996 1.80197104 0.37237057 -0.06818903 -0.30340983 Cu 0.00237749 10.74025951 0.01963584 0.29910747 0.06480022 0.36548277 Cu 1.77688624 12.58138011 0.02444665 0.05169535 -0.25458603 -0.12510630 Cu 1.80035978 10.72139038 1.74373601 -0.23823349 0.22397698 0.17126659 Cu 0.01031513 12.56781578 1.80630469 -0.05421904 -0.19633413 -0.14097251 Cu 3.61273792 10.76906688 0.00466522 -0.25456334 -0.25001471 -0.10331124 Cu 5.34122286 12.51110871 0.02011688 0.34271030 0.24435807 -0.15939799 Cu 5.37118298 10.75628654 1.76752583 0.09038622 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0.28063259 -0.14911665 0.03619449 Cu 19.68243172 12.53381945 0.02166497 -0.33210501 0.08595083 0.27865273 Cu 19.74631104 10.77938228 1.78454169 -0.20930854 -0.11369659 -0.15516241 Cu 17.89604559 12.57838507 1.82109221 0.41678147 -0.20704823 -0.42333248 Cu 0.03502424 14.30966746 0.01426988 0.11986522 0.09217378 0.14975970 Cu 1.81917490 16.10206985 0.02556358 -0.25595582 0.14703920 -0.25775511 Cu 1.76298758 14.34798576 1.76269010 0.15817602 -0.18435053 0.17140466 Cu 0.03564501 16.10257662 1.75905717 -0.16324669 0.19180193 0.11326533 Cu 3.61013736 14.37417717 0.04017237 -0.11886591 -0.31945469 -0.24748376 Cu 5.34405929 16.13429380 0.01415161 0.24689428 0.08532202 -0.19072677 Cu 5.40942801 14.36086808 1.74886375 -0.19470625 -0.27956021 0.23795180 Cu 3.59104910 16.15500162 1.76661177 -0.07438713 -0.13482913 0.28798568 Cu 7.19186997 14.33952612 0.02789315 -0.14547163 -0.02179641 -0.25814686 Cu 8.97815607 16.15916984 0.00598695 -0.07911716 -0.15071488 -0.05643693 Cu 8.93043970 14.31711290 1.80241279 0.23871500 0.12028388 -0.25794323 Cu 7.17721116 16.12080773 1.78245161 -0.00220390 0.14026624 -0.05482676 Cu 10.73547085 14.34880871 0.00561646 0.03508813 -0.14640718 -0.04762621 Cu 12.50537292 16.11020181 0.00192726 0.23437357 0.11741630 -0.08209352 Cu 12.57006859 14.34922172 1.82093421 -0.30698115 -0.15919325 -0.44701859 Cu 10.77523261 16.13127352 1.76487692 -0.18023153 -0.08858930 0.15631770 Cu 14.31520595 14.36146449 0.00241569 0.13624617 -0.22097917 -0.06495628 Cu 16.10160049 16.14548255 0.02180515 0.08356445 0.04798762 -0.17903855 Cu 16.12470139 14.36667500 1.81726456 -0.08172329 -0.21291818 -0.29593475 Cu 14.32717969 16.10670818 1.75994773 0.03311086 0.31018918 0.08176703 Cu 17.91265747 14.37406551 0.01337608 0.16361519 -0.12681097 -0.03493377 Cu 19.69557006 16.18480232 0.00570004 -0.30706854 -0.10700004 0.39229749 Cu 19.68912874 14.33131965 1.80314537 0.11833402 0.06788610 -0.21207511 Cu 17.89282847 16.11015890 1.77051401 0.49583649 0.26757692 0.19075235 Cu 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12.55511313 17.95640482 1.79883384 0.00727947 -0.09217965 -0.18644826 Cu 10.73956860 19.67374093 1.79931224 0.14844782 0.27018367 -0.12659236 Cu 14.31483688 17.95610018 0.03537232 0.09437012 0.03259304 -0.09981887 Cu 16.16995350 19.68862154 0.00080845 -0.12747416 -0.32229206 0.43875855 Cu 16.12706003 17.91367385 1.80812555 0.00180927 0.33025640 -0.20045533 Cu 14.31508280 19.74912594 1.82186326 0.17805972 -0.12552739 -0.23506949 Cu 17.91495832 17.91323780 0.02238397 0.15430356 0.17416807 0.04526397 Cu 19.68296502 19.69548014 0.01246608 -0.45915239 -0.47848509 0.41897465 Cu 19.73933473 17.96408707 1.77816921 -0.25639174 -0.06029690 0.08401944 Cu 17.95331243 19.74827077 1.76419659 0.02376685 -0.25048306 0.11699734 Cu 0.00397850 0.03368464 3.55889377 0.33552683 0.30378431 0.09059026 Cu 1.81449987 1.81630392 3.56907512 -0.39322116 -0.24063048 0.23687612 Cu 1.79487167 0.00032774 5.38510925 -0.09807974 0.00312915 -0.09979414 Cu 0.05417527 1.75844678 5.40605241 -0.12006389 0.12591015 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