864 Lattice="21.493249171055595 0.0 0.0 0.0 21.493249171055595 0.0 0.0 0.0 21.493249171055595" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2835.010178686382 stress="-0.0068804526745189715 0.00034403789893186113 5.910452743843244e-07 0.00034403789893186113 -0.00667020362968099 9.677987757250729e-05 5.910452743843244e-07 9.677987757250729e-05 -0.0066610367638313735" pbc="F F F" Cu 0.01488460 0.01331785 0.03082432 0.44494874 0.44662458 0.48615225 Cu 1.76411572 1.77128102 0.02428106 0.24423733 0.03633537 -0.07096855 Cu 1.77158693 0.03366296 1.81760437 0.14415959 -0.21442977 -0.16550265 Cu 0.00618173 1.81034650 1.77293868 -0.20790237 -0.15057268 0.06926316 Cu 3.60068243 0.00390661 0.01406661 -0.11412409 0.33877348 0.35459541 Cu 5.33957480 1.81824561 0.01261304 0.17513096 -0.26670807 -0.11761953 Cu 5.36568637 0.01068109 1.81883662 0.06680410 -0.18213233 -0.25447978 Cu 3.61024952 1.76200944 1.82490704 -0.22137890 0.18543997 -0.28712743 Cu 7.17399650 0.02284756 0.01361101 -0.13268202 0.15221022 0.23853351 Cu 8.92731522 1.77034824 0.00006027 0.22666531 0.15071567 -0.17434628 Cu 8.98107787 0.02119920 1.80683999 -0.19736304 -0.27428398 -0.06239643 Cu 7.18879892 1.77382700 1.73917527 -0.28427554 0.11581672 0.31216246 Cu 10.71939026 0.00438378 0.00438451 0.12089996 0.32241976 0.31468155 Cu 12.56401566 1.76402505 0.04067399 -0.15787347 0.19362355 -0.15132041 Cu 12.56058718 0.02173475 1.78630872 -0.19277134 -0.14960145 0.13696418 Cu 10.71146536 1.76631436 1.80875536 0.36693846 0.14260080 -0.18478472 Cu 14.35035623 0.00689431 0.00870860 -0.11107904 0.18418556 0.21386874 Cu 16.08852528 1.77511622 0.02236430 0.16273050 0.15143130 -0.25262354 Cu 16.08474832 0.03147097 1.78888337 0.19948611 -0.36045080 0.07962335 Cu 14.34314885 1.78358764 1.79508816 -0.22590657 0.13362035 0.01579943 Cu 17.91563719 0.02266922 0.01349696 -0.12875639 0.21995367 0.29418900 Cu 19.68828923 1.76324724 0.01630974 -0.26180966 0.13058278 0.23271181 Cu 19.71061513 0.03271337 1.78804805 -0.31268696 0.29058126 0.10582986 Cu 17.89066339 1.74933797 1.76645678 0.24992328 0.23244960 0.08926828 Cu 0.02804320 3.57790604 0.03261899 0.23984036 0.11170098 0.17939757 Cu 1.82688977 5.38047976 0.00117654 -0.22467961 -0.24185250 -0.05196784 Cu 1.76987402 3.56724349 1.82039613 0.16629005 0.16231869 -0.39954911 Cu 0.02162203 5.38551844 1.81915525 -0.16912507 -0.02925481 -0.17363274 Cu 3.59446078 3.55544972 0.02814216 -0.23420673 0.12810796 -0.11414731 Cu 5.36049946 5.39769430 0.01547290 -0.02809681 -0.06803580 -0.29491136 Cu 5.38012027 3.60774276 1.76704067 -0.05177305 -0.19125233 0.29297392 Cu 3.59014920 5.38449305 1.81832010 -0.15199843 -0.26975947 -0.26693092 Cu 7.13397118 3.57686695 0.00382643 0.24104973 0.11966737 -0.14016626 Cu 8.99450110 5.39962641 0.00465988 -0.21808037 -0.14677151 -0.03715676 Cu 8.98987477 3.55634711 1.80230072 -0.34842561 0.34103260 -0.12090387 Cu 7.13006754 5.39364123 1.75833427 0.37101620 -0.19285258 0.27714854 Cu 10.74518141 3.58398894 0.01630065 0.05297067 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0.10533516 -0.14899772 0.18010748 Cu 3.61628272 12.50984079 1.78128678 -0.21182080 0.39421402 0.02920979 Cu 7.18156628 10.73311857 0.01977771 0.02697492 -0.02779097 -0.14402159 Cu 8.94950439 12.52212974 0.00655495 0.16227961 0.13203465 -0.11995508 Cu 8.98159048 10.76350421 1.80902448 -0.17287001 -0.10946354 -0.24851198 Cu 7.18108231 12.55606991 1.76534547 -0.11494403 -0.16891349 0.28443968 Cu 10.75059203 10.72272439 0.00320085 -0.01072018 0.12419302 -0.08788188 Cu 12.56384830 12.54939517 0.03062821 -0.17971700 -0.12829514 -0.21543895 Cu 12.51445409 10.72425005 1.78936629 0.23810823 0.26241696 0.03229303 Cu 10.75618454 12.55626280 1.82519452 -0.12869000 -0.20303187 -0.30129233 Cu 14.35272841 10.77112130 0.01715698 -0.15387444 -0.15021776 -0.10987419 Cu 16.13054615 12.50298010 0.01658699 -0.01379672 0.24851204 -0.08152351 Cu 16.15149769 10.71103711 1.81467450 -0.48782861 0.34533311 -0.12977422 Cu 14.33084890 12.54169413 1.78505269 -0.01268449 -0.12392606 0.13449595 Cu 17.89957519 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