864 Lattice="21.44427305298898 0.0 0.0 0.0 21.44427305298898 0.0 0.0 0.0 21.44427305298898" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2837.324719080133 stress="-24.861585683915923 1.8671825511642623 1.4797853593145192 1.8671825511642623 -25.043533103350548 1.0172384815159603 1.4797853593145192 1.0172384815159603 -25.602233263194933" pbc="F F F" Cu -0.00283833 -0.00797358 0.01652723 0.44926947 0.47326064 0.48214673 Cu 1.77742393 1.73756513 0.00916682 -0.16396165 0.25355169 -0.11494627 Cu 1.81026623 0.03167005 1.75042467 -0.35486415 -0.26708085 0.20248976 Cu -0.02768382 1.76910614 1.80578345 0.06560630 -0.03839020 -0.17774221 Cu 3.55947084 -0.00666271 0.01919175 0.23113527 0.27642026 0.18586425 Cu 5.39236860 1.81574226 -0.01976528 -0.20391631 -0.27489223 0.07908747 Cu 5.38749089 -0.01020208 1.79284673 -0.09446030 0.06582872 -0.14015887 Cu 3.56976907 1.80348061 1.80389735 0.28241783 -0.13329647 -0.28298164 Cu 7.18327297 -0.00954061 -0.01076378 -0.19108519 0.18323945 0.20820543 Cu 8.91202629 1.75417749 0.00425419 0.15341174 0.12446151 -0.17307401 Cu 8.93176685 -0.01525256 1.76343908 0.11567388 -0.03322648 0.13720770 Cu 7.17147256 1.77575708 1.78050040 -0.11089048 -0.16128113 0.07365514 Cu 10.73889726 0.02973915 -0.03252930 0.01234625 0.18524829 0.24165428 Cu 12.53802022 1.81215271 -0.00042657 -0.11028299 -0.14383248 -0.13791841 Cu 12.49367384 0.01572765 1.80848356 0.19846919 -0.23292574 -0.23671714 Cu 10.75846660 1.75780103 1.76508456 -0.31603276 0.20630937 0.07960329 Cu 14.31078987 0.00999663 -0.01945757 -0.03627265 0.32900388 0.34130710 Cu 16.10230917 1.81473500 0.00068938 -0.15048112 -0.10955888 -0.04134580 Cu 16.07437484 0.02598218 1.77507525 -0.08487271 -0.11018073 0.03492934 Cu 14.26146345 1.79753227 1.79507577 0.27277098 -0.24999258 -0.13219108 Cu 17.84316419 -0.01853979 -0.00471654 0.08890088 0.39714736 0.34568335 Cu 19.63748662 1.80191464 0.01378027 -0.38952318 -0.18239941 0.24859805 Cu 19.62688488 -0.02023157 1.77307626 -0.34734063 0.37700558 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-0.28707724 0.06661744 Cu 14.29575858 12.48949607 19.62196850 -0.07265102 0.28949786 0.35695907 Cu 17.89775755 10.71429623 17.89646052 -0.13846478 0.14047787 -0.13628261 Cu 19.68658749 12.54756561 17.89857390 -0.00150577 -0.10857809 -0.15433383 Cu 19.63092019 10.75860640 19.66998378 -0.08689908 -0.04598721 -0.13904282 Cu 17.86794089 12.52057665 19.62698240 0.06359410 0.02755437 0.21523566 Cu 0.00264134 14.30151574 17.86422366 -0.14990815 -0.06257710 0.09350500 Cu 1.78564842 16.05941781 17.85208651 0.27285687 0.19405606 0.08720975 Cu 1.78961725 14.33033982 19.64331344 -0.09596028 -0.24319647 0.10802824 Cu 0.02906634 16.07823521 19.68848674 0.13634179 0.01888382 -0.29051409 Cu 3.58358037 14.28290366 17.86974238 -0.22225686 0.11141661 0.04086990 Cu 5.35622926 16.04910955 17.87326169 0.04208598 0.30130953 0.16182605 Cu 5.39031870 14.29326775 19.65505855 -0.13394860 0.09133304 0.33338461 Cu 3.60293682 16.05772292 19.69211438 -0.19902072 0.13458610 -0.10741805 Cu 7.12483432 14.28318690 17.88638020 0.24248278 0.18880901 -0.17613585 Cu 8.94279655 16.08914983 17.86593259 -0.16299494 0.03719421 0.16948063 Cu 8.93064277 14.31627500 19.64096643 0.09048736 -0.17432960 0.18580127 Cu 7.18108934 16.06510628 19.68982773 -0.16299448 0.21998446 -0.07497496 Cu 10.71002499 14.30521680 17.87015846 0.22649990 -0.17752857 -0.10772795 Cu 12.49575277 16.11628889 17.86610572 0.10382537 -0.29692154 -0.05632628 Cu 12.49955643 14.29226775 19.64977685 0.07378042 0.06304770 0.04035235 Cu 10.69265841 16.06327482 19.64330325 0.23712505 0.12901658 0.17688426 Cu 14.32992761 14.30656840 17.83076219 -0.39115339 -0.10607055 0.14382773 Cu 16.06265589 16.07158880 17.85180280 0.34548900 0.15525958 0.10861329 Cu 16.08130540 14.27533735 19.65094294 -0.02742435 0.09681244 0.10497117 Cu 14.28248593 16.05715060 19.63139020 0.10492605 0.07357469 0.16887924 Cu 17.86970037 14.27409370 17.85698245 0.11588094 0.21812676 0.05763967 Cu 19.68795809 16.07914751 17.88728436 -0.02944321 -0.05971458 0.03049308 Cu 19.67264350 14.32354845 19.65667648 -0.23882444 -0.07848738 -0.17179024 Cu 17.87210383 16.05214815 19.64070174 -0.01234322 0.16430049 0.01381327 Cu 0.00833977 17.83700667 17.85851583 -0.14367759 0.36744488 0.33635983 Cu 1.78678647 19.64446684 17.83761449 -0.06062947 0.09486829 0.44195181 Cu 1.75786676 17.87193356 19.64125840 0.16609811 0.15657307 -0.01811434 Cu 0.01567421 19.65355857 19.66868923 0.54299591 -0.56059077 -0.60167297 Cu 3.60503352 17.88150670 17.85111841 -0.36473986 -0.21883775 0.28443363 Cu 5.33198831 19.66177466 17.89585685 0.19454348 0.05960171 -0.08186460 Cu 5.33355095 17.85172594 19.67155435 0.23054764 0.10853630 -0.03539709 Cu 3.60221906 19.68221387 19.66704479 -0.18304894 -0.36811021 -0.29405304 Cu 7.14500835 17.84967854 17.84318640 -0.11185469 0.04895606 0.49855156 Cu 8.90796854 19.62595041 17.86915123 0.18683985 0.11336545 0.23025146 Cu 8.96813217 17.85968557 19.67075168 -0.16441227 0.24372638 0.00133045 Cu 7.12919185 19.67735822 19.63109434 0.00982636 -0.41401068 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