500 Lattice="17.91914571614312 0.0 0.0 0.0 17.91914571614312 0.0 0.0 0.0 17.91914571614312" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1559.6895614994805 pbc="F F F" Cu -0.02395735 0.01518893 -0.01921460 29 0.42209811 0.45617229 0.39966114 Cu 1.78289588 1.81952441 -0.01533394 29 0.04953705 -0.14335713 0.13956442 Cu 1.74473324 -0.01140102 1.77352597 29 0.15347334 0.13641677 -0.08237433 Cu -0.03116711 1.80258477 1.75973786 29 0.20742830 -0.07905891 0.21747831 Cu 3.59073373 -0.00188641 -0.00367111 29 -0.10488913 0.29905241 0.29027786 Cu 5.41019007 1.75994121 -0.00109931 29 -0.15263112 0.16195718 0.09193782 Cu 5.35092452 0.01197948 1.80844367 29 0.11161771 0.03877704 -0.01084236 Cu 3.54439725 1.78520083 1.77302743 29 0.13048809 -0.12437807 -0.14719901 Cu 7.18134516 -0.01763657 0.01480425 29 -0.02429143 0.26386510 0.31548884 Cu 8.97542748 1.75735233 -0.03013531 29 -0.09426915 0.21802554 0.19091473 Cu 8.97193351 0.00262075 1.77506275 29 0.01150368 0.07487309 0.08823783 Cu 7.16269890 1.81871537 1.79119064 29 0.06279436 -0.42750011 -0.10308952 Cu 10.73065557 0.02667117 -0.02272338 29 0.11979879 0.21385606 0.32642449 Cu 12.54818096 1.77813602 -0.02895582 29 -0.05282031 0.12342066 0.12626950 Cu 12.56927479 -0.01577536 1.77949899 29 -0.16502503 0.13477393 0.05072603 Cu 10.77873259 1.80392675 1.82738128 29 -0.13878726 -0.23587942 -0.26863656 Cu 14.32505361 -0.00395620 0.01301612 29 0.03161480 0.31950804 0.33117958 Cu 16.14230263 1.76961344 -0.03245391 29 -0.49772592 0.12307036 0.48997082 Cu 16.13028131 -0.02998325 1.82026345 29 -0.42709354 0.48672367 -0.00325942 Cu 14.30682059 1.81573059 1.79370336 29 0.28771078 -0.20093300 -0.21677634 Cu 0.01818008 3.54864284 0.02054401 29 0.15728902 0.11869085 0.16522180 Cu 1.78361111 5.38794785 0.01374935 29 -0.08748907 -0.08767262 -0.05426750 Cu 1.76921774 3.59926110 1.80317041 29 -0.01844863 -0.22991557 -0.17465220 Cu 0.01449573 5.37625841 1.81698812 29 -0.12993519 0.04547188 -0.18465419 Cu 3.60412448 3.61792247 0.03500540 29 -0.07827366 -0.17165481 -0.10683685 Cu 5.40634301 5.37746211 -0.03088853 29 -0.07101505 0.01983590 0.10115375 Cu 5.35820848 3.58390218 1.82179842 29 0.09376332 -0.07098090 -0.50498651 Cu 3.56987858 5.39023731 1.78986502 29 0.07683274 -0.03750567 -0.20612127 Cu 7.17618815 3.59421059 0.03453053 29 -0.07247758 -0.11074432 -0.11114795 Cu 8.94670450 5.35371347 0.00613126 29 0.03427447 0.14034734 -0.05137397 Cu 8.92938107 3.59327636 1.78416567 29 0.24980504 -0.15971128 -0.03487709 Cu 7.14446831 5.41151365 1.80895842 29 0.08987341 -0.20407024 -0.21884826 Cu 10.71959271 3.60792811 0.02292190 29 0.08791399 -0.19574015 -0.06506030 Cu 12.55970884 5.34246912 0.03506906 29 -0.08905123 0.24288816 -0.12357774 Cu 12.51570514 3.58399998 1.78052023 29 0.15573299 -0.12919607 -0.09886951 Cu 10.76290935 5.39379902 1.82685536 29 -0.18643017 -0.05864583 -0.19825808 Cu 14.31446399 3.60864295 -0.02087044 29 0.14040523 -0.22546232 0.12291666 Cu 16.11063994 5.34981168 0.02578312 29 -0.24126942 0.07404422 0.23273445 Cu 16.15271360 3.57688059 1.76804699 29 -0.20903853 -0.11945229 0.04398134 Cu 14.32560181 5.38337755 1.81569397 29 0.15030071 -0.13268230 -0.33000506 Cu -0.03529024 7.17712412 -0.03243481 29 0.40784195 -0.00466846 0.38420503 Cu 1.79741987 8.97401962 0.00164342 29 0.02736410 -0.19269242 -0.03209948 Cu 1.80421639 7.13187304 1.78509127 29 -0.39092007 0.34607326 -0.07170090 Cu -0.00596864 8.96511969 1.75147359 29 0.06822497 -0.17711412 0.18950915 Cu 3.58128080 7.14388257 0.01475553 29 0.06429620 0.03921700 -0.14810012 Cu 5.35913982 8.98872288 0.02137106 29 0.16523420 -0.22655797 -0.07565419 Cu 5.40034128 7.14077650 1.82126848 29 -0.18525036 0.23767137 -0.33640683 Cu 3.61137842 8.93083331 1.74437098 29 -0.29276391 0.05797714 0.22797181 Cu 7.19497809 7.16558897 0.02524441 29 -0.11583102 0.12942139 -0.13658675 Cu 8.98696660 8.96370037 0.02522918 29 -0.19042721 0.10296741 -0.15295740 Cu 8.94672965 7.14517363 1.78337899 29 0.06997864 0.10510332 0.13134407 Cu 7.19699209 8.98995996 1.80752637 29 -0.25005526 -0.19702155 -0.24823624 Cu 10.73869246 7.18128056 0.02098583 29 0.07454771 -0.19154204 -0.12653825 Cu 12.56346027 8.95103074 0.03206113 29 -0.05356123 -0.05555809 -0.21422215 Cu 12.52896977 7.18082135 1.80605787 29 0.02909322 -0.15876139 -0.24388789 Cu 10.74081194 8.96940373 1.75686245 29 0.01761361 0.00041788 0.23230392 Cu 14.33952332 7.16304472 -0.02157310 29 -0.01243123 -0.05590138 0.13123496 Cu 16.09496696 8.98749457 -0.00725834 29 -0.26068667 -0.08616496 0.35562751 Cu 16.10095606 7.15266501 1.82389924 29 0.06562295 0.06769166 -0.19951328 Cu 14.30984662 8.92290630 1.80992712 29 0.37834322 0.30343152 -0.24353258 Cu -0.00030802 10.72268010 0.00420214 29 0.23884967 0.13001173 0.15382205 Cu 1.82731860 12.56157087 -0.03320693 29 -0.17687696 -0.09014398 0.10925411 Cu 1.79552624 10.74848781 1.72883750 29 -0.09997907 0.08253916 0.18766026 Cu -0.02660619 12.52936321 1.78614736 29 0.13863198 0.04804486 0.02234188 Cu 3.60900386 10.76264646 0.00400900 29 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-0.11855115 0.22548204 Cu 16.13953294 10.76365862 1.80455791 29 -0.18632740 -0.11602952 -0.05546803 Cu 14.36859278 12.53001271 1.75653225 29 -0.09501921 0.19803080 0.11329586 Cu -0.01329669 14.33662690 0.01529276 29 0.32944151 -0.07630466 0.26700765 Cu 1.77803061 16.15004895 0.03069807 29 0.12315677 -0.36159262 0.28480048 Cu 1.77454388 14.30262283 1.75753475 29 -0.09423439 0.22352304 0.22732950 Cu 0.01722769 16.10941759 1.81458638 29 0.27357832 -0.27688881 0.11546026 Cu 3.57122651 14.34287026 0.03519324 29 -0.05139952 0.06120950 -0.11150988 Cu 5.32307684 16.14103018 0.03415843 29 0.06667216 -0.26851943 0.24929860 Cu 5.34022359 14.31079280 1.79765880 29 0.31948971 0.44678197 -0.09492341 Cu 3.56883953 16.09775558 1.82168133 29 -0.11680058 0.11742059 -0.01024352 Cu 7.15100584 14.36447948 0.03773061 29 0.07413478 -0.12393158 -0.00539879 Cu 8.94182450 16.14847123 0.03491923 29 0.13886051 -0.33497191 0.27340104 Cu 8.98499176 14.30315108 1.82719056 29 -0.17574556 0.22213282 -0.43919484 Cu 7.18322774 16.15122659 1.76439976 29 -0.19307032 -0.13653648 0.17915211 Cu 10.74046862 14.32206609 -0.01548201 29 -0.04321978 0.12822016 0.02538676 Cu 12.53696198 16.14642997 -0.02491182 29 0.15098912 -0.43986579 0.38735570 Cu 12.53706646 14.34311906 1.78809007 29 0.20224421 0.04977983 -0.07913442 Cu 10.77685439 16.08518122 1.78943647 29 -0.07447914 0.09226298 -0.02401333 Cu 14.35956811 14.30259545 0.02145647 29 -0.13038694 0.28508776 -0.00543803 Cu 16.10921741 16.14600527 -0.01969091 29 -0.43780481 -0.43909839 0.42218692 Cu 16.15152566 14.36515364 1.76965653 29 -0.12249158 -0.10015924 0.13347995 Cu 14.35983468 16.10671720 1.81024874 29 -0.14877946 -0.04646922 -0.17238894 Cu 0.03456452 -0.02031300 3.57808073 29 0.17330257 0.30646044 -0.06309908 Cu 1.81953144 1.75587143 3.56133581 29 -0.43105111 0.17858327 0.14220229 Cu 1.74336532 -0.01922080 5.40069166 29 0.19581833 0.11178707 -0.05782954 Cu -0.03516201 1.77488954 5.38855310 29 0.19031998 0.10658630 -0.06033816 Cu 3.57415892 0.03101746 3.60759644 29 -0.09897123 -0.17036728 -0.11015450 Cu 5.36461917 1.80921851 3.59314637 29 0.07692505 -0.32254884 -0.05944914 Cu 5.36426945 0.01167288 5.39879601 29 0.10580405 -0.17051747 -0.09516571 Cu 3.60254227 1.77760469 5.40538729 29 -0.18535679 -0.12045819 -0.15166069 Cu 7.18910749 -0.01578843 3.58337654 29 -0.13608950 0.03746717 -0.07649937 Cu 8.95311487 1.75972554 3.59943115 29 -0.07324792 0.07228094 -0.16392492 Cu 8.99095364 -0.03293952 5.37054168 29 -0.09428964 0.00364347 0.10510437 Cu 7.15824409 1.74881187 5.40950942 29 0.10510566 0.09434215 -0.21679480 Cu 10.75064960 -0.01624576 3.60501872 29 0.09291010 0.01200423 -0.18962083 Cu 12.57200837 1.80253745 3.61383301 29 -0.15517937 -0.28084089 -0.25332454 Cu 12.54536682 -0.01768485 5.35993308 29 0.05920763 0.10118510 0.18462520 Cu 10.72307527 1.80893633 5.35707787 29 0.22946096 -0.32933409 0.17845561 Cu 14.31873155 -0.02547681 3.55863084 29 0.10198870 0.08948377 0.05734821 Cu 16.06899207 1.80711509 3.59160924 29 0.09974801 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5.33649482 5.39097176 29 0.04686610 0.19777495 -0.02479147 Cu 10.74080610 3.60615477 3.59977884 29 -0.06638497 -0.24357778 -0.22163007 Cu 12.57551519 5.35295843 3.58054286 29 -0.23768585 0.17939008 -0.09529695 Cu 12.52115327 3.58544866 5.37205276 29 0.08087420 -0.08998963 0.08080037 Cu 10.72451244 5.34990670 5.34614880 29 0.13523021 0.16851394 0.14919377 Cu 14.30500248 3.59576679 3.59763329 29 0.37385834 -0.10425888 -0.20367428 Cu 16.10180713 5.34131782 3.56729761 29 0.10268935 0.08495782 0.08693944 Cu 16.12453644 3.56361938 5.39601214 29 0.05440650 0.04530374 -0.05022442 Cu 14.31698888 5.38548276 5.35664880 29 0.35467006 -0.09623587 0.18963521 Cu -0.02120021 7.13547663 3.61740163 29 0.11078903 0.23370663 -0.24114195 Cu 1.76032845 8.98850322 3.57676203 29 0.06237563 -0.19401947 -0.11531670 Cu 1.78684286 7.15040244 5.38749191 29 -0.11739038 0.08332472 -0.13746393 Cu -0.02251460 8.93805497 5.40170938 29 0.07458720 0.09902224 0.02247484 Cu 3.53308224 7.14482527 3.61329521 29 0.10350047 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