256 Lattice="14.235288868893367 0.0 0.0 0.0 14.235288868893367 0.0 0.0 0.0 14.235288868893367" Properties=species:S:1:pos:R:3:forces:R:3 energy=-803.9558716063576 stress="-0.004640780594647897 -0.0003171270785409865 -9.224208948214641e-05 -0.0003171270785409865 -0.004677775388068551 0.00017039469783924476 -9.224208948214641e-05 0.00017039469783924476 -0.004833223779582681" free_energy=-803.9558716063576 pbc="F F F" Cu 0.00687579 0.00092239 0.00926498 0.51574780 0.42069088 0.47463508 Cu 1.75150723 1.78232860 0.00635964 0.03630200 -0.08802543 -0.22751267 Cu 1.79326223 0.02288491 1.79239538 -0.11879602 -0.33840143 -0.36289682 Cu 0.00879786 1.74681102 1.72521854 -0.16356233 0.22356338 0.12039627 Cu 3.58034288 0.00729047 0.02905507 -0.14630671 0.27077164 0.20764626 Cu 5.34675797 1.76301680 0.01934089 -0.07750947 0.08604873 -0.33639326 Cu 5.35674111 0.01634970 1.75079927 -0.06789684 -0.24243330 0.14866908 Cu 3.53397185 1.80743767 1.75785484 0.18010858 -0.30859563 0.02908179 Cu 7.10868329 0.00931154 0.00242140 0.11672064 0.19090490 0.26072833 Cu 8.88242295 1.76040428 0.03405997 0.05492531 0.03440586 -0.19045113 Cu 8.92347147 0.00244843 1.79797371 -0.05322657 -0.11248013 -0.15080724 Cu 7.10020871 1.78125493 1.77054437 0.18677714 0.00092113 0.17208687 Cu 10.66412241 0.02310664 0.01508296 0.18896424 0.45172792 0.45017884 Cu 12.47957502 1.81700303 0.00670653 -0.52029581 -0.14328953 0.46362506 Cu 12.48156688 0.01609126 1.80694417 -0.53441971 0.45348334 -0.10617086 Cu 10.68916286 1.79589547 1.80876037 0.08624051 -0.22683605 -0.29260963 Cu 0.00080674 3.58441518 0.02362330 0.25969513 -0.08911359 0.24820339 Cu 1.74700631 5.35201694 0.02600181 0.18976926 -0.12789751 -0.35199417 Cu 1.80939676 3.58851329 1.78494407 -0.41736253 -0.18363593 -0.06284283 Cu 0.00727219 5.37334990 1.75008598 -0.32674873 -0.28495178 0.18420844 Cu 3.54903933 3.54152675 0.02563368 0.00635013 0.17246713 -0.37736776 Cu 5.34291491 5.31845389 0.02064963 -0.11424712 0.12117076 -0.16963968 Cu 5.30132549 3.53546831 1.81032486 0.26371680 0.19580030 -0.14362956 Cu 3.55011012 5.36258917 1.80339077 0.16310140 -0.17394615 -0.32314386 Cu 7.09271856 3.56517999 0.02997148 0.08946482 -0.08084763 -0.29752101 Cu 8.92250445 5.32906132 0.02356454 -0.06302882 0.10712530 -0.41663297 Cu 8.88454717 3.59277192 1.76944308 -0.04599622 -0.34859564 0.16147716 Cu 7.12203461 5.36639404 1.74992034 -0.17403521 -0.10748427 0.39774419 Cu 10.64590041 3.55481503 0.03498672 0.31904676 -0.12375983 -0.29106837 Cu 12.44752255 5.34555610 0.00179085 -0.25063457 -0.24576722 0.24431426 Cu 12.45822420 3.53716324 1.79273897 0.21689109 0.11141588 -0.23007338 Cu 10.67048143 5.32015861 1.79151839 0.16255092 0.17970317 -0.16779537 Cu 0.01606603 7.10434486 0.01104768 0.14583766 0.12782789 0.09029465 Cu 1.76003784 8.91576401 0.00516695 0.11911985 -0.11912957 -0.26886004 Cu 1.77453363 7.11833916 1.77787817 0.00970130 0.15467256 -0.20262126 Cu 0.02434095 8.87057250 1.75867617 -0.24450116 0.19528380 0.17648363 Cu 3.54726204 7.08434299 0.00105597 0.03805509 0.19582977 -0.14818037 Cu 5.34769067 8.88847704 0.03458310 -0.00917463 -0.05760166 -0.24409572 Cu 5.33367878 7.13082819 1.81119668 0.09877336 -0.10521353 -0.31099150 Cu 3.53289660 8.91180750 1.77585078 -0.05552400 -0.08082139 -0.11175063 Cu 7.14963413 7.11314344 0.01024306 -0.20643325 0.12234682 -0.36487797 Cu 8.92424977 8.94513569 0.01950862 -0.08658958 -0.22471834 -0.32828626 Cu 8.86700933 7.14654325 1.74781747 0.43268267 -0.18705899 0.14976682 Cu 7.13217837 8.90034313 1.79278967 -0.12207737 0.14378491 -0.14196869 Cu 10.71608005 7.09650886 0.01809955 -0.17791728 0.11463204 -0.20609221 Cu 12.47570450 8.86841268 0.02501017 -0.19762703 0.06731632 0.11576975 Cu 12.48671170 7.07193940 1.74335345 0.08808298 0.14027319 0.18537435 Cu 10.71075075 8.92496375 1.73576139 -0.11885079 -0.41337726 0.25872038 Cu 0.01203013 10.65297648 0.03082453 0.26135935 0.16894359 0.23602294 Cu 1.80971962 12.46252459 0.02915423 -0.11136109 -0.38350259 0.22183661 Cu 1.76354309 10.69790888 1.76026689 0.06406500 -0.05421204 0.19720706 Cu 0.00117050 12.45328137 1.76129919 0.35677792 -0.36215223 0.03599114 Cu 3.58115221 10.66071528 0.00280689 -0.13160050 0.16356036 -0.22998229 Cu 5.29729979 12.48642871 0.01550990 0.11592554 -0.39671098 0.28271156 Cu 5.31283923 10.68111625 1.78471036 0.13394490 0.09678003 -0.15367195 Cu 3.54174526 12.46015659 1.76173479 0.06640925 0.08493794 0.24324647 Cu 7.13085451 10.66627116 0.00047943 -0.14155152 0.22389303 -0.07919106 Cu 8.92670696 12.44820019 0.01698698 -0.02925233 -0.25225839 0.26989126 Cu 8.92525658 10.70955705 1.78060245 -0.20051172 -0.07412347 -0.03367938 Cu 7.10022267 12.43529972 1.77569659 0.08717083 0.23887137 -0.14426761 Cu 10.67091883 10.66390340 0.01169037 0.36317818 0.40364294 -0.24893485 Cu 12.48794104 12.45466893 0.01931358 -0.67099351 -0.61636857 0.62064257 Cu 12.45623532 10.64550854 1.75959989 0.17577070 0.44025108 0.05161143 Cu 10.68414889 12.47445210 1.81349489 0.25527327 0.05645901 -0.27209779 Cu 0.02757753 0.03534070 3.50674552 0.11187303 0.22957346 0.13216140 Cu 1.79747322 1.76638014 3.53115239 -0.12625538 0.24247060 0.27821068 Cu 1.76135687 0.00428012 5.30460281 -0.07153837 -0.14733195 0.04804336 Cu 0.00977119 1.80238111 5.37206253 -0.15352132 -0.30110135 -0.25802367 Cu 3.56032591 0.02394147 3.50396200 0.10032781 -0.33118139 0.25049884 Cu 5.32893018 1.74550165 3.59519209 -0.03769532 0.04078235 -0.33789394 Cu 5.37066812 0.00216528 5.36952616 -0.14268254 -0.24471205 -0.16558499 Cu 3.56964536 1.74697327 5.37410856 -0.02974772 0.21512332 -0.34943073 Cu 7.15810227 0.02230420 3.53564685 -0.10276412 -0.24425803 0.07335441 Cu 8.92375030 1.82744132 3.56407524 -0.23496095 -0.11539712 -0.17543548 Cu 8.88591078 0.02081235 5.36044127 0.08666241 -0.25751414 -0.16270538 Cu 7.11373339 1.81402030 5.28738385 0.17817665 -0.23534231 0.39310409 Cu 10.65875334 0.01876223 3.58232488 0.23357940 -0.23529623 -0.07500590 Cu 12.46766351 1.78169456 3.55082934 0.17116379 -0.08949910 0.08438039 Cu 12.48935247 0.02248799 5.31956350 -0.41542695 0.35909040 0.06631270 Cu 10.66196799 1.79228532 5.31106903 0.20796944 -0.14435648 0.22426805 Cu 0.03020446 3.52398400 3.56742330 -0.22266411 0.09300882 -0.23782669 Cu 1.78422796 5.35916513 3.52812579 -0.24034749 -0.22390468 0.17578932 Cu 1.77191709 3.59385735 5.34799646 0.17931673 -0.25341467 -0.39183038 Cu 0.02344874 5.33245558 5.33556899 -0.22593537 0.15924159 -0.03736629 Cu 3.58708415 3.56339129 3.55330779 -0.24600605 -0.13614503 0.31303902 Cu 5.31457121 5.36996123 3.58669046 0.21758194 -0.04840951 -0.15700235 Cu 5.36133075 3.53081172 5.35112953 -0.36889321 0.11586215 -0.00696267 Cu 3.52501504 5.36924825 5.30479219 0.26346652 -0.16979967 0.12847027 Cu 7.08237729 3.57909880 3.55853401 0.13709566 -0.00407761 -0.28179388 Cu 8.91890086 5.31567490 3.55684510 -0.36155077 0.20312417 -0.13028020 Cu 8.87361087 3.59187284 5.34951481 0.23949884 -0.14325018 -0.08343536 Cu 7.08413570 5.32412469 5.33466485 0.20749316 0.32131196 -0.05369936 Cu 10.69530582 3.58133699 3.57134250 -0.04475458 -0.16192073 -0.03706475 Cu 12.44338680 5.31888963 3.53152444 0.33714429 0.13271142 0.18148231 Cu 12.42850357 3.53307241 5.36641787 0.25806110 0.14459942 -0.17041627 Cu 10.66240754 5.38363278 5.30448102 0.22755108 -0.36751162 0.42086536 Cu 0.00913741 7.09989725 3.52497527 -0.29950257 0.09793108 0.20334235 Cu 1.78761312 8.86793416 3.59158057 -0.16517545 0.47745600 -0.30444958 Cu 1.80215892 7.15125916 5.31597023 -0.26189993 -0.41665780 0.16820494 Cu 0.01901687 8.88369816 5.35287671 -0.34951459 0.12564220 -0.17957928 Cu 3.52538180 7.11179235 3.52804737 0.24165639 0.22480171 0.19899133 Cu 5.30761456 8.87506112 3.53710352 0.27147794 0.10509853 0.22341256 Cu 5.31970488 7.15009995 5.36816537 0.23028117 -0.15043525 -0.31353372 Cu 3.55490176 8.89640039 5.35730516 0.07643951 0.08581663 -0.10246530 Cu 7.14698065 7.14214313 3.59208933 -0.22920618 -0.22167406 -0.05470956 Cu 8.89864103 8.86171256 3.54969939 0.17139336 0.35128022 0.06967697 Cu 8.92093640 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0.03262901 10.69135237 0.09974368 -0.23449142 -0.12723378 Cu 12.44222296 1.79793486 10.69467862 0.23101284 -0.12190889 -0.16635505 Cu 12.43629064 0.02932668 12.42116847 -0.37660847 0.38316462 -0.38963843 Cu 10.70690776 1.76416262 12.44971314 -0.07572339 0.15643934 0.23756580 Cu 0.02744064 3.55508526 10.65120387 -0.26833557 0.01942596 0.36750818 Cu 1.75133627 5.35313631 10.68213561 0.12716468 -0.13403915 0.14953439 Cu 1.79373774 3.52963796 12.45517455 -0.20274005 0.16913519 0.23936804 Cu 0.03297160 5.34230739 12.46997269 0.25148041 -0.02050994 -0.35148800 Cu 3.52716228 3.55054969 10.66388934 0.32756100 0.27467848 0.09532656 Cu 5.33806892 5.35810310 10.66231292 -0.14891395 -0.26689701 0.08968393 Cu 5.31531859 3.56856657 12.46862999 0.16077374 -0.16868159 0.06808099 Cu 3.58079905 5.31166632 12.46404324 -0.18021022 0.15511072 0.05704255 Cu 7.11013235 3.59368422 10.69897971 -0.05428017 -0.36671852 -0.17638663 Cu 8.89140219 5.33177196 10.67579508 0.06818790 0.06242803 0.27332962 Cu 8.89755424 3.52752485 12.46394599 0.12395182 0.04991052 0.11416373 Cu 7.09757796 5.30350857 12.47723845 0.14378052 0.21484376 0.14471517 Cu 10.66825553 3.52683208 10.65892415 0.12827439 0.15254109 0.29212557 Cu 12.42581207 5.34550393 10.72740730 0.17939748 -0.23954774 -0.21344195 Cu 12.48804647 3.52884934 12.47929569 -0.45116497 0.08526020 -0.36459978 Cu 10.69016654 5.36118837 12.48145625 -0.08918556 -0.22112045 0.05520514 Cu 0.01246308 7.14684904 10.65259037 -0.19718251 -0.10389657 0.19841507 Cu 1.79470266 8.92631297 10.65583986 -0.22848659 -0.21380963 0.21482302 Cu 1.80246075 7.10333020 12.44005128 -0.21476281 0.05867582 0.20103614 Cu 0.01090627 8.88150314 12.46712429 0.32035679 -0.00955135 -0.36893010 Cu 3.52855896 7.14278142 10.65576161 0.25554881 -0.20075063 0.21180669 Cu 5.28575618 8.92523415 10.64162876 0.20675284 -0.03892176 0.15852798 Cu 5.34992902 7.10015785 12.45857239 -0.13313595 0.16666838 0.08916632 Cu 3.52261289 8.88237840 12.45610259 0.18927268 0.14610534 0.19217100 Cu 7.09504681 7.14375730 10.67212270 0.10469988 -0.19750248 0.26946949 Cu 8.86211636 8.86770590 10.65049743 0.25964249 0.16204102 0.14918244 Cu 8.87896749 7.13526348 12.47627518 -0.05108940 -0.14528463 0.09727777 Cu 7.10046167 8.92195897 12.43606855 0.01990981 -0.21389263 0.26913825 Cu 10.65526182 7.12416520 10.68371780 0.09096825 0.08733508 0.08029328 Cu 12.49129662 8.92261081 10.69347516 -0.09517874 -0.03039993 -0.02415960 Cu 12.45992598 7.11141267 12.42315766 -0.30339440 0.18815750 -0.17982993 Cu 10.63791003 8.91232905 12.44999287 0.27082612 -0.04572463 0.11478322 Cu 0.02219158 10.68530122 10.67702547 -0.31242369 0.05494548 0.05287862 Cu 1.78223164 12.45447930 10.67319817 -0.19037745 0.19849415 0.11608037 Cu 1.74048536 10.65651983 12.43648449 0.08201771 0.25173844 0.27701526 Cu 0.00438437 12.43977355 12.47438039 0.56280609 -0.52923101 -0.57773749 Cu 3.52956513 10.71027955 10.68477259 0.26008754 -0.04322394 0.10461801 Cu 5.31630644 12.47317134 10.64620612 0.17149596 0.01567784 0.31866588 Cu 5.36943723 10.64703399 12.44482140 -0.33268261 0.36164796 0.13339710 Cu 3.54612437 12.46914832 12.46639850 0.01175093 -0.44142341 -0.36501113 Cu 7.12849957 10.68279339 10.70082734 -0.25978129 0.06007714 -0.34116148 Cu 8.87751562 12.44314437 10.67727544 0.16750631 0.33206133 0.15015267 Cu 8.86805383 10.67713141 12.43608164 0.19303013 0.08710751 0.28488168 Cu 7.12825658 12.45988471 12.43739088 -0.13867410 -0.22853872 -0.24337934 Cu 10.65865929 10.66049170 10.68522073 0.30918839 0.14661871 0.07310706 Cu 12.48373960 12.47469903 10.64444391 -0.55667286 -0.51111996 0.08314504 Cu 12.46071433 10.68146531 12.42374062 -0.45346163 0.11076666 -0.36825553 Cu 10.66897011 12.46745167 12.43243503 0.06942810 -0.48448823 -0.47284374