864 Lattice="21.48660451415792 0.0 0.0 0.0 21.48660451415792 0.0 0.0 0.0 21.48660451415792" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2834.62387187873 stress="-28.765607470352954 -0.8141968124063297 -0.8362595060758906 -0.8141968124063297 -28.93620668014319 -0.5993120303851214 -0.8362595060758906 -0.5993120303851214 -29.66030732397391" pbc="F F F" Cu -0.01580736 -0.00185686 -0.00829514 0.69313462 0.67104935 0.69766956 Cu 1.82215119 1.76734782 0.00955299 -0.32373296 0.09698089 0.02960969 Cu 1.80527350 0.02570910 1.81434523 -0.25268409 -0.19536104 -0.32735479 Cu 0.01402478 1.80738395 1.82401794 -0.11194176 -0.16914995 -0.40740369 Cu 3.54820909 0.03129532 0.00910327 0.07711425 0.15444227 0.24439792 Cu 5.33790749 1.78964436 -0.02655737 0.13783995 0.06808652 0.06400011 Cu 5.34987276 0.02683701 1.80482930 0.10367830 -0.26746304 -0.22200738 Cu 3.60264755 1.77119759 1.81158729 -0.22520271 0.14099037 -0.33645171 Cu 7.16710680 0.00801906 0.00279026 -0.04445093 0.36632437 0.37470298 Cu 8.97325120 1.77475907 0.03577334 -0.09939195 -0.02515785 -0.12098821 Cu 8.96357946 -0.00038196 1.79822334 -0.10146261 -0.07689452 -0.10985984 Cu 7.13319741 1.76252349 1.80625221 0.13800546 0.12358580 -0.23822257 Cu 10.79087593 -0.00767747 -0.00729607 -0.03219124 0.42867352 0.45790981 Cu 12.55865214 1.81288283 -0.00758833 -0.11483523 -0.09695660 0.12753055 Cu 12.56291933 -0.02642499 1.81147361 -0.08719710 0.13097474 -0.10826959 Cu 10.71893153 1.78935081 1.81032875 0.26978034 -0.08872202 -0.32041578 Cu 14.34576230 0.00473203 0.01497985 -0.10171006 0.32985488 0.32722717 Cu 16.06721220 1.82312811 -0.00203908 0.15384986 -0.18520914 -0.09567212 Cu 16.08377006 0.02324619 1.82018858 0.10406887 -0.10311089 -0.17184466 Cu 14.30989242 1.80865006 1.81390070 0.06812433 -0.24254404 -0.09197674 Cu 17.89144633 -0.00287725 0.00862011 -0.01450714 0.49848311 0.47377664 Cu 19.72451258 1.82126321 0.00280573 -0.53853669 -0.08584953 0.47936552 Cu 19.72554343 -0.00548681 1.81604190 -0.57430039 0.55936749 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