864 Lattice="21.486605883647606 0.0 0.0 0.0 21.486605883647606 0.0 0.0 0.0 21.486605883647606" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2834.2294142362753 stress="-19.504061200944044 2.7628041031649104 0.6406774707914593 2.7628041031649104 -19.27348363486498 0.6943637160678584 0.6406774707914593 0.6943637160678584 -20.995097934997034" pbc="F F F" Cu -0.03368417 -0.03067236 0.01504484 0.69867136 0.73220482 0.66370853 Cu 1.81093642 1.81533542 0.01469809 -0.15083968 -0.38048111 0.03929418 Cu 1.77567336 0.01445012 1.79389395 -0.04051949 -0.00454710 -0.20554739 Cu -0.01880164 1.79098320 1.81542169 0.06365671 -0.15041133 -0.14026007 Cu 3.57570362 -0.02948431 -0.00084925 -0.03443893 0.49546908 0.39784751 Cu 5.36864097 1.82458792 -0.02206498 -0.03381137 -0.24794740 0.06454469 Cu 5.34387374 -0.02923044 1.75603022 0.11076195 0.13088888 0.04550280 Cu 3.62091689 1.80024056 1.80602451 -0.19019519 -0.12010493 -0.22848435 Cu 7.15823294 0.02573627 0.01575914 -0.04621690 0.25201576 0.27840850 Cu 8.93158770 1.76392308 -0.01038033 0.18524851 0.09519325 -0.04777878 Cu 8.96991946 0.02470289 1.77683587 -0.01917410 -0.15489620 0.05616184 Cu 7.19432869 1.78330368 1.81121385 -0.25259908 -0.15231953 -0.20237129 Cu 10.74946573 -0.01520694 -0.02535636 -0.02166732 0.43246993 0.44236798 Cu 12.50852578 1.77533419 0.00633884 0.05316657 0.07347698 -0.04797791 Cu 12.54462593 0.01736097 1.76402121 -0.21621728 -0.09117306 0.10379375 Cu 10.72286375 1.81280950 1.82385696 0.10860974 -0.29717287 -0.26986419 Cu 14.29396444 -0.00409291 -0.00254811 0.06950399 0.41485611 0.34559462 Cu 16.10633675 1.79871479 -0.02167324 0.03396742 -0.21243551 0.11602856 Cu 16.07496160 0.00988960 1.79312141 0.17173153 0.04271555 -0.12481266 Cu 14.29135466 1.82282520 1.79792022 0.34759787 -0.20605700 -0.22677754 Cu 17.93942396 0.00682635 0.02862206 -0.16857027 0.44997422 0.39893688 Cu 19.72823800 1.76951902 -0.01425221 -0.49782016 0.12647888 0.49165063 Cu 19.70546954 -0.02227123 1.76168807 -0.44575680 0.51933285 0.15158574 Cu 17.92221391 1.81409547 1.78550534 0.08779868 -0.32572647 -0.12462812 Cu 0.03171111 3.52010808 0.02188772 0.16897243 0.13951830 0.18416435 Cu 1.80111745 5.35955643 -0.01606383 -0.05501144 -0.00154657 -0.07726842 Cu 1.76451902 3.59572538 1.76698738 0.12135631 -0.13041126 0.14876326 Cu 0.03029824 5.38930255 1.76978167 -0.19173232 -0.14562933 0.09658087 Cu 3.55373247 3.55969362 -0.02709963 0.17546478 0.15106581 0.06202163 Cu 5.35723728 5.38178442 -0.02203265 0.05714582 -0.17191136 0.04465991 Cu 5.40186749 3.56713762 1.79714363 -0.31578509 0.10428838 -0.14572421 Cu 3.55543116 5.36994221 1.82189885 0.25167847 -0.11559582 -0.22535171 Cu 7.14165447 3.55962112 0.01787246 0.12883125 0.10738416 -0.18287113 Cu 8.97908579 5.36279011 -0.02812608 -0.23040733 0.07540274 -0.04648535 Cu 8.97640332 3.58870696 1.75407558 -0.26907526 -0.11375003 0.13258829 Cu 7.15779881 5.33894355 1.81998770 0.06778031 0.15102502 -0.36309889 Cu 10.76414328 3.58946433 0.02123925 -0.05721429 -0.15199595 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0.09628033 0.12827593 Cu -0.03514453 8.93002823 1.76853264 0.08116690 0.07591764 0.09574208 Cu 3.60066671 7.13641195 0.01914369 -0.13168003 0.10402761 -0.21606039 Cu 5.39873721 8.92214749 0.02001136 -0.12623391 0.14710874 -0.15466837 Cu 5.39240982 7.14322978 1.76573151 -0.21934139 -0.00544903 0.21869671 Cu 3.54813689 8.92889995 1.75919984 0.25388470 0.08186651 0.06710554 Cu 7.15601930 7.18945420 0.02309537 0.12107195 -0.24742425 -0.15753086 Cu 8.98029333 8.91882710 -0.03409789 -0.16199572 0.03311100 0.04897685 Cu 8.93957593 7.13683336 1.80830937 0.06584327 -0.03919172 -0.24280312 Cu 7.17792263 8.94270910 1.83121639 -0.16717504 0.17475969 -0.30629633 Cu 10.75198725 7.16222688 -0.02744519 -0.07956403 -0.05337724 -0.06168461 Cu 12.51843251 8.96513924 -0.02756513 0.09478830 -0.08298743 -0.06647154 Cu 12.51769175 7.18261498 1.77755069 0.17860004 -0.13904374 -0.03035769 Cu 10.74965468 8.91797992 1.75719502 -0.13024107 0.13056031 0.14690087 Cu 14.33510609 7.16558353 -0.03470356 -0.11325947 0.07800629 0.07033745 Cu 16.09336394 8.97335268 0.03513433 0.11281942 -0.09965035 -0.19913402 Cu 16.09101530 7.17846816 1.80024434 0.11249463 0.04235723 -0.20765812 Cu 14.31539209 8.98034128 1.79763230 0.02754843 -0.24567858 -0.12283378 Cu 17.88860742 7.14728629 -0.02430754 0.06639530 0.05857417 0.04946700 Cu 19.66491200 8.95802568 -0.03215223 -0.28835816 0.02875598 0.36515778 Cu 19.67908792 7.19498698 1.78688218 0.11165921 -0.19270051 -0.26226856 Cu 17.93992505 8.96013820 1.77110392 -0.18781145 -0.04004999 0.03729336 Cu -0.02480031 10.75884706 0.02474512 0.32493022 -0.08818534 0.26675191 Cu 1.80246722 12.49559536 -0.01276583 -0.20221549 0.21068269 -0.02351460 Cu 1.80021378 10.74949286 1.80534347 -0.14250215 -0.15814121 -0.25750292 Cu 0.01148054 12.49931749 1.76043812 -0.06247355 0.33508663 0.05306877 Cu 3.59316649 10.74592170 -0.01683899 -0.05324758 -0.11687313 -0.10405581 Cu 5.34824741 12.56063383 -0.00072338 0.11472563 -0.04949120 -0.15150364 Cu 5.35083547 10.76995381 1.73986415 0.14971261 -0.17643555 0.25568960 Cu 3.55060454 12.52008537 1.77543066 0.10445775 0.20269177 0.08748486 Cu 7.18805506 10.70844921 -0.00381880 -0.06335440 0.06358394 -0.06542818 Cu 8.95015609 12.54585647 0.03543972 0.06648567 -0.19001213 -0.27942817 Cu 8.97135534 10.71602213 1.80355671 -0.14366197 0.07753463 -0.09589715 Cu 7.17726198 12.51156927 1.75812128 -0.25297071 0.08091150 0.14618140 Cu 10.71509464 10.71334251 0.03393513 0.13692787 0.20875802 -0.21497646 Cu 12.50537914 12.55765132 -0.01217567 0.10839048 -0.22290531 0.03177236 Cu 12.55201968 10.70814341 1.81107886 -0.28490388 0.30966703 -0.34810877 Cu 10.73529790 12.54604828 1.80198225 0.02954799 -0.14786229 -0.13722448 Cu 14.30698979 10.72859503 0.01124727 0.05995003 0.15649670 -0.16470512 Cu 16.12144979 12.54656674 0.02505447 0.08181200 -0.07534930 -0.24169191 Cu 16.13523431 10.77737032 1.81159653 -0.18653928 -0.39754681 -0.15443321 Cu 14.35497993 12.52421732 1.76935026 -0.24874146 0.11375058 0.01941065 Cu 17.88798302 10.72868570 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