1372 Lattice="25.03921462693503 0.0 0.0 0.0 25.03921462693503 0.0 0.0 0.0 25.03921462693503" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4548.626339264788 stress="-0.00424745836657827 -1.803687179065087e-05 2.8512496419787988e-05 -1.803687179065087e-05 -0.0042707000073048266 5.2782424805817554e-06 2.8512496419787988e-05 5.2782424805817554e-06 -0.004296051124733586" pbc="F F F" Cu 0.00050580 0.03240370 0.01712205 0.43361463 0.39879324 0.45232108 Cu 1.79135400 1.75299674 0.00769713 -0.12673049 -0.03547143 -0.09092800 Cu 1.78882481 0.00112743 1.80512274 -0.04086833 -0.14031027 -0.22055875 Cu 0.00547405 1.77632435 1.79247614 -0.04567782 0.05943193 -0.18045901 Cu 3.58770904 0.00001413 0.01377473 -0.01937440 0.19120702 0.20691260 Cu 5.38898371 1.76348163 0.01529557 -0.25716744 0.19614329 -0.14752326 Cu 5.33654424 0.03296100 1.81774030 0.12002537 -0.38341256 -0.27381839 Cu 3.55987575 1.77227318 1.80085933 0.15666816 0.09353131 -0.20581539 Cu 7.12358514 0.01080361 0.01463431 0.07635383 0.14530582 0.16969913 Cu 8.97646863 1.78449674 0.02690201 -0.20244145 0.05821744 -0.18339440 Cu 8.90872906 0.00013580 1.75571890 0.12295498 0.00085228 0.24204207 Cu 7.12349499 1.80354994 1.77405118 0.43265351 0.00615764 0.07589944 Cu 10.72137889 0.00116386 0.02125081 0.07963437 0.18963009 0.15390209 Cu 12.53323020 1.81305667 0.02367146 -0.12685938 -0.20789742 -0.20018074 Cu 12.49199991 0.02910612 1.79746700 0.19350950 -0.18834523 -0.15431163 Cu 10.73488021 1.79791816 1.77262892 -0.14824180 0.03475702 0.15349291 Cu 14.27958644 0.00745442 0.01242168 -0.00703164 0.29349613 0.22843954 Cu 16.11657356 1.78631384 0.02407822 -0.13404222 0.10454458 -0.15998803 Cu 16.05639708 0.02876788 1.75441730 0.18276465 -0.27043206 0.02828019 Cu 14.30306283 1.82635507 1.80334409 -0.01609447 -0.18840303 -0.08317698 Cu 17.91160587 0.01047310 0.00124801 -0.14653394 0.07484776 0.18038328 Cu 19.64491004 1.75503403 0.03253515 0.20248195 0.16233453 -0.16268463 Cu 19.65578123 0.01724193 1.80709731 0.12591634 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0.06759672 Cu 8.95747545 8.94202052 0.02261979 -0.16748828 -0.01473236 -0.04608629 Cu 8.96943686 7.18511497 1.81549000 -0.24658144 -0.22841920 -0.14792232 Cu 7.17783301 8.97531886 1.81777152 -0.13829987 -0.14026287 -0.24164800 Cu 10.70093910 7.12881024 0.04674271 0.14457899 0.16866093 -0.14759448 Cu 12.48722705 8.97256400 0.01722202 0.15228770 -0.22295248 -0.16320792 Cu 12.54467980 7.17163426 1.78822151 -0.40203619 -0.16565691 -0.05799940 Cu 10.75221526 8.97721384 1.82983646 -0.05993771 -0.22829356 -0.28648267 Cu 14.34033732 7.13271302 0.01888082 -0.33533959 0.08330991 -0.24087446 Cu 16.07354386 8.92035850 0.01339128 0.03129965 0.13778025 -0.23596589 Cu 16.09124277 7.17458693 1.79290950 0.08407378 -0.15361088 0.37925292 Cu 14.28652899 8.90953361 1.77694479 0.14401202 0.33538942 0.06159029 Cu 17.83306282 7.14384281 0.02645950 0.25074336 -0.00250136 -0.29988861 Cu 19.70324885 8.92483996 0.01650518 -0.18493659 0.13031550 -0.29777201 Cu 19.64068440 7.17929045 1.76076681 0.36000903 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0.11583520 -0.17268921 -0.19851944 Cu 8.97466647 12.54012045 0.00281945 -0.16721391 -0.07111102 -0.29663220 Cu 8.96530255 10.79338459 1.76664034 -0.40081637 -0.31363471 0.21860615 Cu 7.13152551 12.52994811 1.75755596 0.18946142 -0.11981391 0.24203348 Cu 10.70396483 10.69683041 0.00372059 0.15744929 0.19133258 -0.20939148 Cu 12.53184884 12.48610144 0.00941861 -0.22136117 0.23348335 -0.13658594 Cu 12.53986041 10.75413611 1.77210278 -0.07669821 -0.17546598 0.28519654 Cu 10.73374877 12.48519270 1.77736882 0.09631696 0.38845533 0.10460700 Cu 14.30797132 10.75689307 0.01035858 0.05033212 -0.17546634 -0.22345240 Cu 16.13198651 12.50364346 0.00257434 -0.17376058 0.15795292 0.03605701 Cu 16.05725317 10.69721811 1.76464988 0.18813936 0.14222791 0.29386010 Cu 14.30346330 12.51001212 1.81280248 0.08666127 0.20538318 -0.02243083 Cu 17.86131572 10.71142198 0.03393579 0.20600262 -0.00202302 -0.23069729 Cu 19.68053549 12.54263640 0.03150610 -0.12351401 -0.12967636 -0.34411384 Cu 19.67035048 10.75552729 1.80172629 0.05415333 -0.17902571 -0.09172648 Cu 17.92033690 12.50913798 1.78219154 -0.41276407 0.16460450 0.19951639 Cu 21.44097860 10.75038349 0.03323266 0.13699172 -0.10539140 -0.12234736 Cu 23.21630152 12.48636654 0.01563864 -0.16834378 0.10401728 0.29481945 Cu 23.23866385 10.68798445 1.82743882 0.09199435 0.13388689 -0.25274646 Cu 21.46110839 12.54180004 1.79008007 0.19345434 -0.17836266 0.09602170 Cu 0.00282527 14.27103779 0.01261217 0.14556915 0.07546384 0.14582440 Cu 1.75347352 16.06435903 0.01422690 0.08392335 0.17047626 -0.11655925 Cu 1.78986768 14.28292754 1.76876775 0.14950115 0.21142738 0.26822087 Cu 0.01441976 16.07039665 1.82345051 -0.12401804 0.17924167 -0.23907760 Cu 3.59459166 14.29676738 0.01532168 -0.16441167 0.00754626 -0.17613006 Cu 5.33535216 16.07876455 0.02791024 0.16563450 0.19952975 -0.19466061 Cu 5.37184582 14.31830390 1.78077069 -0.26962909 -0.12633093 0.24870362 Cu 3.54492480 16.09979901 1.78485636 0.12192984 -0.13606571 0.05979451 Cu 7.15811159 14.31688256 0.02884838 0.01980832 0.02704705 -0.38407167 Cu 8.94251370 16.12206660 0.03518999 -0.02325044 -0.13848212 -0.23916831 Cu 8.93175379 14.28396788 1.76324250 0.25498766 0.18805898 0.27101461 Cu 7.13774025 16.06463072 1.78776826 0.04431134 0.39266628 0.12582113 Cu 10.71697157 14.33066999 0.01921419 0.20454851 -0.06384248 -0.18934292 Cu 12.55397209 16.12546398 0.02865455 0.01916749 -0.20153378 -0.34213368 Cu 12.49601161 14.33862499 1.78914851 0.14577583 -0.21107649 0.06544890 Cu 10.76039070 16.11177595 1.76278287 -0.24085990 -0.15411102 0.47541846 Cu 14.28534275 14.28086500 0.02193138 0.13599554 0.02023778 -0.08670185 Cu 16.07634662 16.10551541 0.00959581 0.04412524 -0.07944549 -0.15298097 Cu 16.07297540 14.32674224 1.81261041 0.22120635 -0.40678946 -0.22245652 Cu 14.33048511 16.09261921 1.79599518 -0.29517933 0.01521552 -0.09677045 Cu 17.86575102 14.32755878 0.02027304 0.00005846 -0.04091647 -0.10641905 Cu 19.70367706 16.06206901 0.01978806 -0.25063231 0.20106832 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0.37605966 0.22333291 Cu 7.18196330 17.90386708 0.02498522 -0.18796414 -0.14327752 -0.18115133 Cu 8.92243773 19.70815478 0.02966777 0.14815199 -0.09530372 -0.04519978 Cu 8.94184289 17.87298267 1.78676151 0.06168595 0.14637673 0.14572010 Cu 7.14878222 19.64229023 1.82266662 0.14253816 0.38250951 -0.16330972 Cu 10.75787013 17.86495710 0.03261902 -0.28893840 0.14488464 -0.38168738 Cu 12.49174982 19.65111920 0.02162385 0.08084106 0.16901566 -0.37478331 Cu 12.52439113 17.88250894 1.75939049 0.13931496 -0.04592537 0.46083240 Cu 10.75917757 19.66011285 1.77205552 -0.35988804 0.25670141 0.29576186 Cu 14.32202570 17.90450574 0.00062522 0.00026285 -0.02919370 -0.22265531 Cu 16.12979761 19.68907255 0.02897900 -0.15969027 -0.11149048 -0.30806899 Cu 16.07373948 17.87296792 1.78183581 0.27037038 0.12511072 0.13899458 Cu 14.30049200 19.65073325 1.75910219 0.08726519 0.11587182 0.37097034 Cu 17.91637844 17.86738916 0.02827322 -0.11824536 -0.07346025 -0.26815280 Cu 19.67439567 19.66118594 0.02751798 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