864 Lattice="21.519620657397745 0.0 0.0 0.0 21.519620657397745 0.0 0.0 0.0 21.519620657397745" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2785.611761290677 stress="-13.37333344800859 0.1817630983011682 -0.5439487791712949 0.1817630983011682 -13.347339970544922 -1.6756266609324655 -0.5439487791712949 -1.6756266609324655 -13.699195809538391" pbc="F F F" Cu -0.02889548 0.03194305 -0.01607241 0.67590556 0.64186789 0.61469693 Cu 1.80890087 1.82888410 -0.00363619 -0.24395492 -0.27584968 -0.11071480 Cu 1.76592774 0.01611794 1.77779226 0.06577890 -0.10651552 -0.10537402 Cu -0.00443237 1.77844556 1.78406562 -0.06303341 0.08077535 -0.11682614 Cu 3.58980845 -0.00927234 -0.01512075 -0.10614519 0.40149160 0.41818127 Cu 5.39890625 1.73864475 -0.02096986 -0.18467529 0.14518236 -0.09341346 Cu 5.34925195 0.01953494 1.81360735 0.09735307 -0.17849325 -0.10222650 Cu 3.57122685 1.81202804 1.77316979 0.08773759 -0.23294502 0.16373902 Cu 7.13361020 0.01686905 0.03005842 0.12615099 0.14172482 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0.44783853 -0.11500646 Cu 17.91370736 1.76716391 1.80731355 0.12603746 0.00575787 -0.11213714 Cu 0.01806934 3.60963175 -0.02694679 0.33046093 -0.09278539 0.46131696 Cu 1.82335721 5.33563768 0.03209280 -0.26253780 0.13141007 -0.23080621 Cu 1.80715225 3.58964062 1.79364898 -0.21443244 -0.04723588 0.17608994 Cu -0.02548009 5.39397535 1.81576809 -0.01215793 -0.08161172 -0.09045351 Cu 3.57539812 3.55571068 0.03555206 0.22866478 0.07505588 -0.35760335 Cu 5.41260360 5.38700347 -0.02661194 -0.09733504 0.05038760 -0.08602702 Cu 5.41014577 3.57869702 1.76274550 -0.25676370 -0.15112241 0.18804596 Cu 3.60735328 5.39672912 1.76005337 -0.04775919 -0.18982434 0.22369245 Cu 7.14600386 3.57485961 0.00574571 0.13233299 -0.01395316 -0.28472371 Cu 8.96900472 5.35506198 0.02131300 -0.05686891 0.10693484 -0.13484770 Cu 8.95870330 3.56167891 1.79224015 -0.13984620 0.08864036 0.20484502 Cu 7.13910041 5.34605168 1.82623490 0.20559405 0.25241820 -0.04007087 Cu 10.73897811 3.58406666 0.02289549 0.13152956 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