864 Lattice="21.5793514251709 0.0 0.0 0.0 21.5793514251709 0.0 0.0 0.0 21.5793514251709" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2637.446945283477 stress="-0.002585420655638326 -0.00016390372392431182 0.00015789460957955922 -0.00016390372392431182 -0.0026262583491820056 0.00020349663294883018 0.00015789460957955922 0.00020349663294883018 -0.002522596096442044" pbc="F F F" Cu 0.00146133 0.01016289 0.00734341 0.40442271 0.37834316 0.43216945 Cu 1.78812474 1.78555197 0.01071210 0.08107045 0.15447834 0.11273185 Cu 1.79050515 0.01387686 1.82038149 0.02810627 0.02606849 -0.13817121 Cu 0.01320042 1.79267360 1.78891743 0.10953868 0.16067307 0.04449195 Cu 3.57797174 0.02820861 0.01604587 -0.03796342 0.19986947 0.29177211 Cu 5.39339924 1.76396750 0.03426211 -0.10271619 0.19574192 -0.06002025 Cu 5.40158833 0.00138682 1.78293486 -0.10595580 0.07647947 0.11021532 Cu 3.56162472 1.82821109 1.81667804 0.20478866 -0.20422194 -0.30459838 Cu 7.17573928 0.03028675 0.00360894 0.01829131 0.14734026 0.18531599 Cu 9.00806670 1.73682642 0.02267165 -0.08936874 0.19310484 -0.10619688 Cu 8.95342034 0.00853137 1.78270395 0.14060709 -0.01080434 0.19641354 Cu 7.17351173 1.79356307 1.79698508 0.13364548 -0.04672172 -0.05747835 Cu 10.77137570 0.01278505 0.03379271 0.08500620 0.12834776 0.20421422 Cu 12.55955639 1.78014288 0.00664005 0.12096059 0.15334278 0.08033815 Cu 12.60675527 0.04661784 1.79018549 -0.09984046 -0.10133012 0.10343981 Cu 10.75913762 1.80313532 1.80432193 0.19809354 -0.22832974 -0.03932843 Cu 14.36908555 0.02026600 0.00331859 0.06542637 0.24432441 0.24180416 Cu 16.17193228 1.82774441 0.04547224 0.13387097 -0.09523541 -0.14684883 Cu 16.17236391 0.01606931 1.81596232 0.08912718 -0.05422517 -0.17689268 Cu 14.40985438 1.77362219 1.80935187 -0.24039329 0.17218532 -0.08799946 Cu 18.01550212 0.01585617 0.00947431 -0.17866298 0.27228915 0.30748646 Cu 19.78134691 1.80596421 0.01209531 -0.24948171 0.09182691 0.32043701 Cu 19.79060619 0.01242597 1.81741315 -0.28067905 0.24829564 0.00440575 Cu 17.97582451 1.76750971 1.76180999 0.11244496 0.12286380 0.13273180 Cu 0.01406458 3.57847861 0.02342020 0.24386091 -0.00555709 0.23632513 Cu 1.82157697 5.36763128 0.04899800 -0.14662019 0.15016693 -0.16481527 Cu 1.81429809 3.62306017 1.81774547 -0.16370151 -0.30814844 -0.21073582 Cu 0.05295739 5.36202530 1.82971220 -0.14147241 0.20248808 -0.19118675 Cu 3.64161498 3.63014870 0.01833531 -0.13372313 -0.25618572 -0.04882774 Cu 5.42112161 5.42339024 0.02933169 -0.15984012 -0.09711417 -0.06562641 Cu 5.42090001 3.58688572 1.79668723 -0.13436551 0.08780651 -0.03832368 Cu 3.57333429 5.38619778 1.80079012 0.35294416 0.09487963 0.03792109 Cu 7.22772213 3.56766319 0.03220764 -0.07373453 0.11607134 -0.08454547 Cu 9.02496504 5.42912110 0.02497794 -0.17750524 -0.19336637 0.01876288 Cu 9.01635634 3.56124466 1.77000777 -0.21729207 0.25546265 0.09062769 Cu 7.17427686 5.43049389 1.81776656 0.23658076 -0.31024963 -0.14787617 Cu 10.77775436 3.57405685 0.01461147 0.04322709 0.05510767 -0.08516985 Cu 12.57273751 5.41579721 0.00181386 -0.01392101 -0.21879165 -0.04993495 Cu 12.56061568 3.60251552 1.82689799 0.21474835 -0.33632264 -0.47571278 Cu 10.81350582 5.36276752 1.82949715 -0.26897356 0.24199426 -0.29380619 Cu 14.38780200 3.60582078 0.02200497 -0.21624297 -0.15357124 0.00375048 Cu 16.15380222 5.36151993 0.01010648 0.24561205 0.10217292 0.07424447 Cu 16.16073353 3.59634685 1.82283694 0.31717402 -0.05234869 -0.16331606 Cu 14.36450068 5.37755497 1.79600774 0.11977435 0.09471696 -0.19911680 Cu 18.01275232 3.61322175 0.02563636 -0.21684310 -0.09063203 0.06773788 Cu 19.77208187 5.35480124 0.00949219 -0.16638800 0.09164102 0.27664753 Cu 19.74747038 3.59585065 1.82154107 0.14069023 -0.07288108 -0.10510072 Cu 18.00569095 5.41358186 1.82142790 -0.09529649 -0.10585553 -0.28220696 Cu 0.02381509 7.21189858 0.00824163 0.29382708 -0.14766853 0.35436931 Cu 1.77695393 8.98945366 0.02797072 0.01574880 0.10344529 -0.05151619 Cu 1.81709799 7.19417204 1.82625631 -0.31220152 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0.08500751 0.01697619 -0.10747067 Cu 19.74778177 12.55820365 0.02173690 -0.30374027 0.18801471 0.21875726 Cu 19.81187316 10.81517221 1.76144251 -0.23084773 -0.11877410 0.18212765 Cu 17.95546444 12.62014809 1.82713864 0.35863536 -0.17878435 -0.34897055 Cu 0.03514052 14.39594477 0.01431726 0.05588696 -0.03214985 0.13062024 Cu 1.79271138 16.15553230 0.02564845 0.15383338 0.26880670 -0.06884568 Cu 1.76884110 14.39562426 1.76854263 0.19516061 -0.12681109 0.16101955 Cu 0.03576335 16.21486591 1.77104484 -0.11052024 -0.10229249 0.19017970 Cu 3.62212381 14.42190262 0.00860575 -0.14751931 -0.23387306 0.03029200 Cu 5.36180276 16.18786323 0.01419859 0.22652818 0.10324549 -0.02707045 Cu 5.42738850 14.40854934 1.80416150 -0.16006870 -0.26023432 -0.18508693 Cu 3.60297218 16.17903398 1.81730022 -0.15184372 0.21405400 -0.15692345 Cu 7.21574857 14.37785144 0.02798576 -0.18154422 0.01053984 -0.15401392 Cu 9.00796554 16.21815188 0.02878905 -0.05917506 -0.07067721 -0.12488574 Cu 8.99259432 14.36464890 1.76880891 -0.02175093 0.08209968 0.07063148 Cu 7.22016328 16.17433239 1.78836975 -0.11443226 0.13829343 -0.06133010 Cu 10.77111500 14.37051175 0.00563511 0.09413642 -0.04915411 -0.06326498 Cu 12.54187743 16.16369126 0.02621008 0.22766269 0.14747244 -0.13635082 Cu 12.61180400 14.39686432 1.82698011 -0.30758494 -0.18820226 -0.32585790 Cu 10.81100877 16.16903428 1.77073671 -0.09041368 0.09627029 0.22599710 Cu 14.36273561 14.40914773 0.00547028 0.08475790 -0.17968962 -0.04288143 Cu 16.15506138 16.20094405 0.02187754 0.12774909 0.01449222 -0.06000429 Cu 16.16172944 14.37645826 1.82329827 0.03759445 0.08342390 -0.24199530 Cu 14.37474911 16.16018603 1.76579116 0.06234316 0.29305449 0.12026091 Cu 17.95407488 14.42179058 0.01359753 0.04543303 -0.15826045 0.04622957 Cu 19.76096373 16.19233427 0.00571897 -0.32040937 0.12899671 0.31004514 Cu 19.75450102 14.41211545 1.80913221 0.04450911 -0.17415747 -0.08219383 Cu 17.95223664 16.16364821 1.81670606 0.33748266 0.28932402 -0.05989917 Cu 0.02702526 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12.61885647 18.00749455 1.80480636 -0.17723390 -0.08492407 -0.09434849 Cu 10.77522635 19.77267282 1.78455821 0.12975256 -0.01051590 0.09780642 Cu 14.39353993 18.00659991 0.02307066 -0.12168596 -0.11802379 -0.01674202 Cu 16.17083028 19.75399214 0.00081114 0.05899590 -0.17362053 0.33438047 Cu 16.17658718 17.97315122 1.81412892 0.05109927 0.25344875 -0.06362968 Cu 14.36261205 19.81469741 1.79669148 0.15261084 -0.13999927 0.09750190 Cu 17.94215404 17.99595213 0.02245828 0.17252998 -0.09095041 0.14162655 Cu 19.74831684 19.76087351 0.01250747 -0.35280359 -0.34847162 0.31834874 Cu 19.80487370 18.01537706 1.79491284 -0.31784637 -0.19064000 0.10570242 Cu 18.00077097 19.81383940 1.80030975 -0.07167194 -0.25473171 0.07977827 Cu 0.00399171 0.03379647 3.54144598 0.25302951 0.24639475 0.14340535 Cu 1.82052440 1.82233444 3.58092525 -0.32221824 -0.21939408 0.15831121 Cu 1.79274504 0.00032882 5.40298901 0.00076850 0.04342161 -0.14023049 Cu 0.03116595 1.78461626 5.43053401 0.04932244 0.11466225 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