864 Lattice="21.46340390292389 0.0 0.0 0.0 21.46340390292389 0.0 0.0 0.0 21.46340390292389" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2840.4539429498877 stress="-0.004403992520393959 -5.3662104234970185e-05 -0.00024764289750568534 -5.3662104234970185e-05 -0.004544011948880122 0.00014263169643438477 -0.00024764289750568534 0.00014263169643438477 -0.004503649250859353" pbc="F F F" Cu 0.01080422 0.01463514 0.03389390 0.54841259 0.62235149 0.55232720 Cu 1.78459817 1.81552053 0.00199501 -0.05852244 -0.15292419 0.02261854 Cu 1.75581870 0.04294248 1.77415201 0.17500954 -0.15554061 -0.12746021 Cu 0.02667513 1.80986901 1.80224065 -0.17656026 -0.02770162 -0.27574691 Cu 3.60177671 0.02367281 0.02910777 -0.15319068 0.32805725 0.28696959 Cu 5.39342468 1.77311584 0.01241188 -0.11487668 -0.02787285 -0.15620061 Cu 5.34996366 0.00745485 1.80103938 0.18256354 -0.20089137 -0.17238156 Cu 3.59717070 1.77885605 1.78332719 -0.14769969 0.07893376 -0.08854296 Cu 7.17854756 0.02876952 0.01270659 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1.79415763 -0.18274795 0.15379337 -0.07848596 Cu 3.55346971 12.48655149 1.75623499 0.23382596 0.28505451 0.33952393 Cu 7.14109047 10.76589618 0.02130651 0.13626929 -0.08582750 -0.27348673 Cu 8.97517660 12.54468377 0.00281961 -0.10750544 -0.10352125 -0.13231110 Cu 8.96581214 10.76071109 1.78824295 -0.23448634 -0.19924350 -0.13502025 Cu 7.13193087 12.51475326 1.75765586 0.13465102 0.10673783 0.05079096 Cu 10.70457326 10.69743843 0.00372080 0.19634284 0.11075006 -0.15001233 Cu 12.53256116 12.48681117 0.00941915 -0.03348209 0.16534320 -0.10230518 Cu 12.54057319 10.75474739 1.77220351 -0.13003098 -0.28608803 0.14769727 Cu 10.73435889 12.48590237 1.77746985 0.12031421 0.27757228 0.14595597 Cu 14.30878460 10.74470300 0.01035917 0.15138081 -0.12062852 -0.14989950 Cu 16.13290347 12.52977430 0.00729947 -0.17048355 -0.01969441 0.02940083 Cu 16.07996029 10.71788430 1.81082488 0.21391152 0.16262324 -0.14777977 Cu 14.33917495 12.51072320 1.81290552 -0.21351967 0.17927802 -0.18653188 Cu 17.86233098 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8.93668846 14.31036997 1.79737741 0.31497430 -0.07591959 -0.17946889 Cu 7.18331799 16.08666065 1.79801327 -0.31593810 0.06105033 -0.12432457 Cu 10.76689394 14.28151234 0.01921528 -0.12441812 0.13134103 -0.11392727 Cu 12.54398392 16.06725388 0.02865618 -0.10883997 0.22462125 -0.33992886 Cu 12.51620814 14.33944001 1.78925020 0.05826365 -0.31479555 0.22401558 Cu 10.76100234 16.12974834 1.76288307 -0.31828603 -0.18513831 0.00937795 Cu 14.28615475 14.32074277 0.02193263 0.18908527 -0.16488178 -0.06447863 Cu 16.09190098 16.10061218 0.00959636 0.10150456 0.03623619 -0.06559439 Cu 16.07388900 14.32755659 1.81271344 0.29774852 -0.10719381 -0.20187166 Cu 14.33129967 16.13579039 1.80632446 -0.15301539 -0.26815695 -0.04767552 Cu 17.86088050 14.31098053 0.04440006 0.27140276 0.02007539 -0.06421525 Cu 19.68020953 16.06298200 0.01978918 -0.34941240 0.05235542 0.37936725 Cu 19.69181554 14.30082411 1.79950808 0.00286955 0.06519633 -0.07127621 Cu 17.91766337 16.11004546 1.80154741 -0.15017344 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