864 Lattice="21.44234944763102 0.0 0.0 0.0 21.44234944763102 0.0 0.0 0.0 21.44234944763102" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2772.886284559716 pbc="F F F" Cu -0.00733055 -0.00515454 0.01158757 29 0.65433966 0.65157245 0.59416543 Cu 1.80075723 1.78348582 -0.02815233 29 -0.16349777 0.08532241 0.22138022 Cu 1.75414456 -0.00842448 1.79474931 29 0.23307017 0.17193012 -0.09211901 Cu -0.03368216 1.75671008 1.78996942 29 0.21760196 0.21313054 -0.08612915 Cu 3.58921941 -0.00499650 -0.02948910 29 -0.18151592 0.42420340 0.56511992 Cu 5.34750548 1.76487014 0.03417448 29 0.13800195 0.11783370 -0.37991515 Cu 5.37897626 0.02169689 1.76536533 29 -0.22121061 -0.31662664 0.18982952 Cu 3.56642668 1.81474658 1.76825400 29 -0.33320042 -0.36157874 0.20861534 Cu 7.17877536 -0.01784544 0.01553207 29 -0.02631619 0.47907169 0.30906300 Cu 8.96291953 1.80162106 -0.00966574 29 -0.15011624 -0.10326643 -0.05681469 Cu 8.91707967 -0.01025770 1.79769854 29 0.13316360 -0.15121060 -0.04756863 Cu 7.14600540 1.76012872 1.81672148 29 0.13624626 0.20085742 -0.28713822 Cu 10.73235991 0.00823738 -0.01459962 29 -0.16300189 0.27448773 0.33371337 Cu 12.50321530 1.76850644 0.02429904 29 0.04374857 0.12437729 -0.26495478 Cu 12.47495217 -0.00874079 1.75649369 29 0.15442445 -0.11687761 0.25173731 Cu 10.68806273 1.78033617 1.75558754 29 0.18609945 0.13562466 0.42047472 Cu 14.31625549 -0.02059556 0.03345659 29 -0.08352769 0.36147107 0.25813761 Cu 16.06532021 1.79270928 -0.00823175 29 0.19533966 0.08287158 0.09983479 Cu 16.07163060 -0.02118306 1.77871109 29 0.20244031 0.06291551 0.12253275 Cu 14.27049701 1.78292690 1.77215868 29 0.24556724 0.14287355 0.12413086 Cu 17.86875419 -0.00178863 -0.00855350 29 -0.07983540 0.60422258 0.57637842 Cu 19.65572165 1.80336150 -0.00665531 29 -0.54429356 0.00033847 0.57114093 Cu 19.66986018 0.00355845 1.77587237 29 -0.56035833 0.53379242 0.08297959 Cu 17.87779096 1.75244051 1.81585838 29 -0.24072512 0.21043636 -0.41023982 Cu -0.03426771 3.60103097 -0.01026191 29 0.59176044 -0.20985185 0.51460827 Cu 1.80715367 5.35886461 0.00604408 29 -0.12081724 0.09718820 -0.12235701 Cu 1.77259003 3.59826007 1.79714401 29 -0.17836353 -0.46827877 -0.32321432 Cu -0.00622467 5.36089550 1.76168662 29 -0.09087987 0.08914184 0.12676222 Cu 3.57702368 3.60318526 0.01455749 29 -0.11770508 -0.23693353 -0.32358322 Cu 5.33555836 5.37645414 0.01144259 29 0.41607721 -0.16579971 -0.17102948 Cu 5.34621773 3.55968564 1.77956557 29 0.26885465 0.19056387 0.01097484 Cu 3.58667154 5.35060181 1.79981775 29 -0.22794241 0.10576706 -0.15317075 Cu 7.17517875 3.53485739 0.03340613 29 -0.27722505 0.14776549 -0.23162361 Cu 8.93480837 5.35463686 0.00351005 29 -0.01766589 0.07218522 -0.26525638 Cu 8.90342402 3.60057623 1.80593355 29 0.28196845 -0.31779049 -0.02966631 Cu 7.18180338 5.36182389 1.82957475 29 -0.42883719 0.12351984 -0.40304234 Cu 10.74749015 3.58829358 -0.00187628 29 -0.10459948 -0.06842282 -0.13756199 Cu 12.51983008 5.37962832 0.03110316 29 -0.25813709 -0.11855414 -0.43755774 Cu 12.48939447 3.59873972 1.81034801 29 -0.14236043 -0.32811616 -0.07379979 Cu 10.69210740 5.37311055 1.77829251 29 0.16694256 0.03734793 0.24187974 Cu 14.25510587 3.59434624 0.00735328 29 0.16399701 -0.21264819 -0.16794054 Cu 16.08335952 5.34616598 0.01656877 29 -0.11563941 0.04870793 -0.33876703 Cu 16.10036402 3.60829691 1.78797692 29 -0.13321688 -0.47072740 0.01355018 Cu 14.26727635 5.35421308 1.78888016 29 0.40115281 0.21359283 0.22178911 Cu 17.90356727 3.58419171 -0.02357857 29 -0.14408813 -0.27225815 0.10060186 Cu 19.65666213 5.33221776 -0.01194797 29 -0.34502167 0.09444711 0.53002930 Cu 19.67283056 3.54993940 1.81447615 29 -0.09943427 0.15063969 -0.28884582 Cu 17.83710126 5.37735371 1.75147488 29 0.47741586 -0.12688766 0.54425313 Cu 0.02613806 7.16573675 0.00243780 29 0.38891232 -0.07323498 0.34420276 Cu 1.79861234 8.95367269 -0.03239622 29 -0.05247819 -0.09307497 -0.04122874 Cu 1.80398385 7.15742637 1.80248378 29 -0.14816620 -0.18993445 -0.22799355 Cu 0.01858181 8.92759177 1.76829645 29 -0.14550621 0.14707707 0.07505766 Cu 3.60242563 7.14766293 0.01330314 29 -0.32770489 0.04750554 -0.27296455 Cu 5.37780744 8.90798718 0.00800185 29 -0.14957760 0.25966952 -0.06666023 Cu 5.34684127 7.13024942 1.79082719 29 0.31993683 0.17077582 -0.09961370 Cu 3.53915169 8.91057230 1.80220332 29 0.13635604 0.41047812 -0.26971314 Cu 7.15007363 7.15531330 -0.02534607 29 0.00773441 -0.11277198 0.05250388 Cu 8.93161884 8.95126541 0.01592093 29 0.17783917 -0.07507239 -0.28463290 Cu 8.94782959 7.16316301 1.76249437 29 -0.16782319 -0.08761352 0.08171282 Cu 7.16573614 8.96791704 1.78910887 29 -0.13768021 -0.32925420 0.20175300 Cu 10.75036248 7.17539816 -0.02439000 29 -0.24595672 -0.15125786 -0.18324489 Cu 12.50530961 8.91875048 -0.01391942 29 0.05646641 0.06259129 -0.28074120 Cu 12.52010551 7.15843296 1.75399953 29 -0.13687527 -0.16710593 0.51834064 Cu 10.74038134 8.90759963 1.81504300 29 -0.27573807 0.28023498 -0.34800622 Cu 14.28006194 7.10990946 -0.00851588 29 0.26043878 0.14408477 -0.26305331 Cu 16.06757986 8.91110503 -0.01506452 29 0.15762597 0.09419266 -0.21602084 Cu 16.09614500 7.17696577 1.80447750 29 -0.18823714 -0.31324316 -0.13199345 Cu 14.29127719 8.90359293 1.75875575 29 0.11005900 0.31115689 0.23151532 Cu 17.85516887 7.11320814 0.01321950 29 0.21614368 0.27332326 -0.19242885 Cu 19.64862044 8.95275034 -0.00529112 29 -0.45032499 -0.12445456 0.41958260 Cu 19.68645795 7.16558812 1.79648836 29 -0.13418513 -0.17977154 -0.11465289 Cu 17.86223745 8.94105364 1.79353587 29 0.20789146 -0.02916248 -0.26471066 Cu -0.03277669 10.73753921 0.02197644 29 0.37030319 -0.05848770 0.24824095 Cu 1.75613703 12.52223066 -0.01444488 29 0.19948661 0.04931114 -0.03015573 Cu 1.74964240 10.73298346 1.75450720 29 0.20092452 -0.08435545 0.19738028 Cu -0.01040171 12.53172514 1.76255629 29 -0.06779530 -0.01846658 0.27752811 Cu 3.55177064 10.72927693 -0.02604624 29 0.20956127 0.04566130 0.17395403 Cu 5.38086987 12.52671558 0.01456909 29 -0.29892989 -0.24925482 -0.23218061 Cu 5.39227177 10.71972573 1.81730627 29 -0.49067569 -0.12104941 -0.23903059 Cu 3.56135689 12.52441386 1.81623791 29 0.14851293 -0.21409690 -0.39212192 Cu 7.16678674 10.70849430 0.01455075 29 -0.25267095 0.07529242 -0.42931519 Cu 8.92894881 12.48165438 0.02192024 29 0.09177973 0.18591073 -0.30413010 Cu 8.90621908 10.72798360 1.78837287 29 0.45873264 -0.15198140 0.22812243 Cu 7.11173338 12.48690762 1.78598510 29 0.41860338 0.21634624 0.13727574 Cu 10.75254431 10.70643755 -0.01371365 29 -0.22200043 -0.03173764 -0.10654423 Cu 12.47918718 12.52443314 -0.01006817 29 0.15557234 -0.05797942 -0.11910001 Cu 12.47845777 10.69775831 1.78189170 29 0.25500675 0.31746268 0.09297459 Cu 10.70518640 12.49453506 1.78063985 29 0.04648832 0.08374062 0.19261779 Cu 14.24668325 10.71275353 0.02892510 29 0.23639651 0.12523160 -0.30865092 Cu 16.09387539 12.53835798 0.01288893 29 -0.07482501 -0.07768620 -0.20628987 Cu 16.10262352 10.70023455 1.74541412 29 -0.10437853 0.18989141 0.30732118 Cu 14.29699879 12.50859294 1.78286271 29 -0.10113616 -0.21092075 -0.09049580 Cu 17.89862570 10.74571424 -0.00810172 29 -0.14349220 -0.20066800 -0.08864120 Cu 19.62060107 12.51553731 -0.00398913 29 -0.17200993 -0.04588524 0.29086084 Cu 19.68936247 10.68685049 1.80688438 29 -0.00449039 0.16130742 -0.09032771 Cu 17.89159568 12.51114942 1.77295412 29 -0.06996518 -0.14882487 0.15596529 Cu -0.01633754 14.28282448 0.02244708 29 0.33206641 0.10340902 0.32269684 Cu 1.73099917 16.08073399 0.02986188 29 0.26637433 0.07774184 -0.30290418 Cu 1.80671336 14.32723963 1.79859257 29 -0.09569265 -0.22194481 -0.16547362 Cu 0.00402744 16.08513860 1.81168069 29 -0.29626016 0.08938326 -0.10640497 Cu 3.58710335 14.31234053 0.00879744 29 -0.21072579 -0.12393181 -0.10636562 Cu 5.34478903 16.05583994 0.02790569 29 0.13427092 0.26672519 -0.28818305 Cu 5.37696094 14.26881178 1.82124191 29 -0.37239213 0.11270258 -0.06560911 Cu 3.58616099 16.10556036 1.79644625 29 -0.20126468 -0.14278406 -0.17363161 Cu 7.13043470 14.27241474 0.01965393 29 0.22013545 0.14023288 -0.27297642 Cu 8.96169846 16.07680007 -0.02824150 29 -0.34607762 -0.06056281 -0.19683436 Cu 8.95035118 14.29839893 1.77677231 29 -0.18033959 -0.13664845 0.18028845 Cu 7.13311194 16.06900279 1.77133362 29 0.19064117 0.37230428 0.09692313 Cu 10.74697902 14.31629457 -0.00921768 29 -0.06008370 -0.13297651 -0.19244556 Cu 12.52919743 16.11257094 -0.00716600 29 -0.13220505 0.04748827 -0.08496056 Cu 12.51926964 14.27158959 1.80497810 29 -0.26018567 0.19167353 -0.16579532 Cu 10.69838972 16.06607462 1.76100562 29 0.32604196 0.13371473 0.34904023 Cu 14.26750799 14.33002477 0.01491609 29 0.11079111 -0.25046146 -0.19464196 Cu 16.05408471 16.06380670 -0.00156649 29 0.08461361 0.20638769 -0.18352610 Cu 16.10235210 14.29739642 1.80992954 29 -0.22251641 0.07579443 -0.30591806 Cu 14.28834595 16.09634674 1.78988914 29 0.18341455 0.16827532 0.08574520 Cu 17.87454861 14.32245375 -0.02064880 29 -0.01039675 -0.05927085 -0.11208808 Cu 19.67278068 16.07689868 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0.18723143 0.29854506 Cu 7.13271631 19.64985211 1.81926289 29 0.27337237 0.14885465 -0.30394902 Cu 10.68645749 17.85256646 -0.01125804 29 0.22765760 0.13336691 -0.23059066 Cu 12.46792817 19.64216117 0.00705986 29 0.06120412 -0.32134917 0.30073699 Cu 12.47560138 17.88402663 1.79136955 29 0.17587060 -0.15894168 -0.02619697 Cu 10.75197258 19.63790072 1.80511299 29 -0.33836317 0.27393662 -0.09829463 Cu 14.29209498 17.91181178 0.00413531 29 0.10222709 -0.16329085 -0.11790622 Cu 16.09068689 19.69085434 0.02519718 29 0.18750998 -0.49285042 0.35480603 Cu 16.11128982 17.85792346 1.79830684 29 -0.16218004 0.11910539 -0.14252766 Cu 14.32368073 19.64252963 1.75490834 29 -0.13290773 0.17451703 0.16662745 Cu 17.86351293 17.85066164 -0.01761794 29 -0.04286598 -0.01518213 -0.01482184 Cu 19.66081918 19.64837215 0.03515589 29 -0.56612653 -0.59166535 0.46559802 Cu 19.65133868 17.86152915 1.75704166 29 0.12163098 -0.20530124 0.08695192 Cu 17.91229994 19.62770317 1.77621843 29 -0.21406574 0.16538507 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