864 Lattice="20.99999998435304 0.0 0.0 0.0 20.99999998435304 0.0 0.0 0.0 20.99999998435304" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2890.1308010260245 stress="-470.34522532351986 -0.1547281746440632 0.6285723061791231 -0.1547281746440632 -473.0143698690806 -2.2931015850582384 0.6285723061791231 -2.2931015850582384 -472.4324400559215" pbc="F F F" Cu -0.03347782 0.01490139 0.00399927 0.51599608 0.47723218 0.66699689 Cu 1.72462069 1.78079068 0.00572659 -0.22487554 -0.42387944 -0.25317784 Cu 1.75923284 0.02417819 1.73307133 -0.29732930 -0.39749807 -0.30259749 Cu -0.01990277 1.72942359 1.76276061 -0.17219728 -0.23962541 -0.43645804 Cu 3.50732813 0.00564999 -0.01441510 -0.08623559 0.31518247 0.20243138 Cu 5.20933962 1.74271464 -0.01359938 0.04900089 -0.11123257 -0.15876212 Cu 5.25339339 0.00063638 1.75835416 -0.23036208 -0.32656352 -0.21225718 Cu 3.46016710 1.77782412 1.74596408 0.20613661 -0.43337690 -0.13608765 Cu 7.04480178 0.01493966 0.03635844 -0.14337594 -0.10248526 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0.27077455 -0.09444497 Cu 17.49032456 1.73183872 1.71060457 0.28783202 -0.26625740 0.14219953 Cu 0.01949957 3.52088404 -0.00686271 0.11892515 0.12573379 0.24956186 Cu 1.77398001 5.24840454 0.03469137 -0.19640663 0.17158050 -0.55463606 Cu 1.73622201 3.53123321 1.74752663 -0.22321427 -0.25899321 -0.36570778 Cu 0.02682796 5.25597906 1.75272759 -0.57551886 0.35611071 -0.40785815 Cu 3.47591563 3.47053868 0.01077020 0.03262678 0.12090387 -0.34464377 Cu 5.27125788 5.21431640 0.02179511 -0.28452457 0.12691045 -0.38533257 Cu 5.28081416 3.50669868 1.74566585 -0.19243163 -0.13197865 -0.07377492 Cu 3.46571574 5.25652222 1.78188836 0.42386227 -0.06338383 -0.35826870 Cu 6.99307445 3.49641962 -0.02828061 0.13518724 -0.32832980 -0.43183593 Cu 8.73862601 5.26045157 -0.02652582 0.07963487 0.02842030 -0.38491168 Cu 8.74181158 3.49784456 1.76563397 -0.05107493 -0.15554028 -0.49643110 Cu 7.01648841 5.22077453 1.70210915 -0.06984886 0.28494469 0.18257920 Cu 10.51737898 3.52760239 0.03026815 -0.25138646 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0.02518472 0.04586313 0.05551529 -0.34888716 Cu 15.74912487 8.72870957 0.01020359 0.00373836 0.02479383 -0.29835128 Cu 15.77868715 6.97383149 1.72839062 -0.25878580 0.13445744 -0.06404515 Cu 13.97878391 8.79035017 1.73054776 0.04849925 -0.27809313 0.19198185 Cu 17.47434314 7.02050180 0.02236398 0.54277553 0.14168068 -0.50604616 Cu 19.27932189 8.75370523 -0.01387589 -0.31388735 0.11835346 0.39762123 Cu 19.27477065 6.95989014 1.72655895 0.01595522 0.23225174 -0.18063702 Cu 17.48259300 8.78178793 1.77745801 0.49958524 -0.20078311 -0.51220238 Cu -0.01188305 10.50724977 -0.03069195 0.33865711 0.15440652 0.31229827 Cu 1.71728877 12.26154087 -0.01569626 -0.26178659 -0.02556508 -0.19434740 Cu 1.72989635 10.48196515 1.78024425 -0.28986315 0.14546789 -0.66302489 Cu -0.03354167 12.27732395 1.74285065 -0.10072449 -0.00226232 -0.20135927 Cu 3.46702416 10.52339590 -0.01564999 -0.09278519 -0.11027808 -0.11031147 Cu 5.28360462 12.21224077 -0.02508043 -0.14900462 -0.01994245 -0.37871596 Cu 5.27671489 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