864 Lattice="21.4423496246338 0.0 0.0 0.0 21.4423496246338 0.0 0.0 0.0 21.4423496246338" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2772.7790500281662 stress="-0.005812845411480751 -6.054498952066418e-05 -0.0001325982942165301 -6.054498952066418e-05 -0.005652618264107147 4.935851471930759e-06 -0.0001325982942165301 4.935851471930759e-06 -0.005648291670114423" pbc="F F F" Cu 0.00007144 0.00815787 0.00809620 0.58608295 0.58345987 0.65779155 Cu 1.75279258 1.76427833 0.01182266 0.28677139 0.09835746 -0.25246033 Cu 1.81661004 0.02483765 1.77865875 -0.08141601 -0.24303021 0.11419625 Cu 0.03407891 1.81746582 1.79044960 -0.30491809 -0.30249282 0.05191394 Cu 3.53370639 0.02135112 0.00604340 0.16615708 0.28578385 0.30919219 Cu 5.33361354 1.79948810 0.02603398 0.28812181 -0.16219638 -0.40216550 Cu 5.38690585 0.03476067 1.80482611 -0.26398312 -0.40100747 -0.12516896 Cu 3.59438611 1.81209392 1.75483760 -0.39668499 -0.28795515 0.39570494 Cu 7.14808499 0.00638673 0.02725835 0.04846125 0.42749640 0.29571817 Cu 8.96126535 1.79631091 0.00006546 -0.26477849 -0.09513061 -0.08222627 Cu 8.92815590 0.00635314 1.80940991 0.02751454 -0.18293524 -0.15246723 Cu 7.13698394 1.76827026 1.80915161 0.26045861 0.34066844 -0.15997864 Cu 10.70858767 0.03356429 0.00048895 0.12566995 0.25706232 0.42341199 Cu 12.50744771 1.81229446 0.00622205 0.05716706 -0.21051583 -0.13365948 Cu 12.54655292 0.02560205 1.82251219 -0.12262610 -0.22711698 -0.44515380 Cu 10.71958710 1.78452159 1.77022617 0.05988145 0.14893561 0.30445996 Cu 14.30259122 0.02973123 0.00180638 -0.02978103 0.34185269 0.39245050 Cu 16.10357483 1.77013448 0.03020204 -0.08466640 0.12011778 -0.44260085 Cu 16.09320180 0.00892264 1.79430668 -0.07554501 -0.31295637 0.01802633 Cu 14.31808015 1.81896542 1.77890972 -0.24811329 -0.21106223 0.09265735 Cu 17.84278333 0.00712996 0.00510609 0.09255479 0.41905657 0.48516994 Cu 19.65425079 1.77063558 0.02233344 -0.57747774 0.12792447 0.47765933 Cu 19.64003098 0.02598581 1.81932871 -0.44940772 0.36749385 -0.06152482 Cu 17.84887584 1.78281695 1.79728357 0.27027418 0.09601125 -0.02921588 Cu 0.03416954 3.51091371 0.03295871 0.10546960 0.22020698 0.08963256 Cu 1.76803143 5.34280278 0.01064987 0.17581156 0.03067867 -0.40729802 Cu 1.79850268 3.59310513 1.77592670 0.10183572 -0.27468577 0.24400497 Cu 0.01416501 5.35381541 1.76619010 -0.37425205 -0.11071985 0.04403548 Cu 3.57422309 3.55128304 0.00423620 -0.16601888 0.12700334 -0.42127053 Cu 5.37660894 5.35035045 0.00746120 -0.16240771 -0.18017342 -0.27779611 Cu 5.32697447 3.54931861 1.79967498 0.49171577 0.18459302 -0.11302635 Cu 3.54930564 5.33405742 1.77333419 0.10009929 0.24812930 0.12744244 Cu 7.15882826 3.54941858 0.00347871 -0.06639852 0.03181392 -0.10639659 Cu 8.96682319 5.38159634 0.02532434 -0.25082993 -0.33619521 -0.37566810 Cu 8.91853330 3.59377884 1.78057065 0.15429635 -0.24037729 0.14915224 Cu 7.12555528 5.35137096 1.79546896 0.14816722 -0.22331466 0.09342878 Cu 10.72739541 3.54930888 0.01133294 -0.01578190 0.13572204 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16.10864069 5.37879472 7.12914737 -0.06174967 0.01284767 0.15243894 Cu 16.12566230 3.59325639 8.90796918 -0.15037351 -0.14895146 0.15904815 Cu 14.26288372 5.33169484 8.96114854 0.32463264 0.36126907 -0.18808265 Cu 17.89505298 3.57681395 7.15269133 -0.16701900 -0.22088789 -0.12641174 Cu 19.62140205 5.37779881 7.14587687 0.58720297 -0.08487125 -0.22511654 Cu 19.67047116 3.60257391 8.91647554 0.13769369 -0.28064373 0.16924026 Cu 17.89982337 5.38919008 8.90203504 -0.44528124 -0.26686480 0.26253202 Cu 0.01063255 7.12774693 7.13305646 -0.06330406 0.11059244 -0.05520954 Cu 1.78759386 8.96666289 7.13731149 0.10009130 -0.22436774 0.11352500 Cu 1.77670663 7.12304619 8.93741144 0.13038036 0.31394426 -0.14824355 Cu 0.03551089 8.95154234 8.94684763 -0.42917417 -0.16780152 -0.16793845 Cu 3.59353580 7.16402691 7.18202323 -0.20902901 0.14742005 -0.22052106 Cu 5.37710360 8.96021441 7.11987391 -0.11315619 -0.39882127 0.24551743 Cu 5.38040229 7.14646242 8.90786532 -0.17159394 0.12249532 0.15822027 Cu 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19.66470513 8.89988998 7.14264200 0.38342077 0.22704930 0.10656826 Cu 19.63750804 7.12494262 8.91018693 0.41714468 0.23758562 0.13458935 Cu 17.90300603 8.94989661 8.90066385 -0.30858767 -0.10084698 0.10898212 Cu 0.02926929 10.74817768 7.13938815 -0.34565039 -0.12913198 -0.00009840 Cu 1.81608504 12.51095421 7.16438889 -0.32928984 -0.15287286 -0.14718073 Cu 1.75482924 10.71977145 8.96553489 0.49609094 0.06451745 -0.33346366 Cu 0.01348060 12.50350502 8.94476265 -0.24158729 0.16610871 0.06688750 Cu 3.60398491 10.72430157 7.12412995 -0.54415195 -0.11240405 0.32724968 Cu 5.32797768 12.47418730 7.13406359 0.43215237 0.31389199 0.11819700 Cu 5.34940810 10.72038174 8.92852421 0.15101714 0.08960878 0.14435717 Cu 3.53990159 12.50954575 8.93245721 0.21120073 -0.16198947 0.14489803 Cu 7.12884969 10.68845020 7.17300292 0.33815347 0.33416054 -0.13193769 Cu 8.93271200 12.52856916 7.16407848 0.15763367 -0.23859343 -0.31732039 Cu 8.94679908 10.71515298 8.93263160 -0.44915021 0.13360814 -0.14902353 Cu 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