500 Lattice="17.499999973049402 0.0 0.0 0.0 17.499999973049402 0.0 0.0 0.0 17.499999973049402" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1652.2107581055857 stress="-0.045100381745873844 0.00015831937387337245 0.00022025361471496158 0.00015831937387337245 -0.045774163704988345 -0.0002570258049454101 0.00022025361471496158 -0.0002570258049454101 -0.04588932489294094" free_energy=-1652.2107581055857 pbc="F F F" Cu 0.03463043 0.00745884 0.00739298 0.45808414 0.51813309 0.31344558 Cu 1.73619110 1.76358029 0.01410094 -0.15442530 -0.33072042 -0.37501295 Cu 1.73273879 0.00829394 1.72618759 -0.24238112 -0.38399365 -0.09392303 Cu 0.00004322 1.75848300 1.73709617 -0.20662490 -0.20197909 -0.04833709 Cu 3.50571068 0.02452876 0.01925214 -0.03494088 0.19460251 0.15634801 Cu 5.24894983 1.77606574 0.01025451 -0.12116012 -0.24705385 -0.40525211 Cu 5.23838857 0.01563717 1.76033404 0.01864490 -0.21458054 -0.12629277 Cu 3.46678446 1.75478168 1.77161611 0.24550482 -0.15693914 -0.40368392 Cu 6.97307462 0.02420517 0.01589608 -0.09304555 0.23095291 0.21986954 Cu 8.77773939 1.73562496 0.01151554 -0.10761353 -0.10704600 -0.28250959 Cu 8.74689102 0.01580598 1.74302973 0.01475295 -0.42470301 -0.04649678 Cu 6.99236636 1.78154721 1.75206498 0.09036270 -0.41972141 -0.22159047 Cu 10.50218371 0.01236789 0.00638695 0.21969972 0.04118582 0.11528934 Cu 12.27604330 1.73585450 0.03094611 -0.27152748 -0.10234944 -0.43002439 Cu 12.26619259 0.01345290 1.76577470 -0.11019388 -0.41648651 -0.17817665 Cu 10.49521049 1.77048008 1.72795819 0.04875015 -0.31014177 -0.10894693 Cu 13.97693869 0.01707070 0.02021915 0.19593791 0.20203821 0.22258431 Cu 15.73727020 1.77855146 0.01661185 -0.30405759 -0.07658233 0.26068888 Cu 15.75150963 0.02980799 1.74804391 -0.26805518 0.15783383 -0.13861760 Cu 13.99389510 1.74564337 1.76037939 0.34670318 -0.08903145 -0.21271134 Cu 0.04026732 3.48242085 0.03974577 -0.10208109 -0.06386440 -0.05218663 Cu 1.73059788 5.24018184 0.00988521 -0.16930169 0.27772116 -0.54977158 Cu 1.77771891 3.52165041 1.71376386 -0.45611193 -0.05761014 0.31766095 Cu 0.01151645 5.22230042 1.77824887 -0.21686869 0.15397887 -0.11497994 Cu 3.47175968 3.49928317 0.03015050 0.15526701 -0.15299456 -0.65229320 Cu 5.27821344 5.26362354 0.01228420 -0.21693045 -0.14651804 -0.32030104 Cu 5.25425012 3.49076553 1.73539781 -0.18953593 0.13506070 0.18310863 Cu 3.46655246 5.22960942 1.72176321 0.38379538 0.27092132 0.08647791 Cu 6.99371483 3.48833440 0.02706607 0.32954383 -0.04316630 -0.48392575 Cu 8.78402434 5.23640412 0.02512479 -0.16201446 0.26543583 -0.56692526 Cu 8.74389152 3.53261115 1.78235607 0.05909388 -0.14512493 -0.11338736 Cu 7.03414303 5.26298947 1.74074551 -0.24085164 -0.23483808 0.07811061 Cu 10.46705218 3.52453154 0.01695424 0.15122207 -0.26820543 -0.60825720 Cu 12.21542751 5.29944091 0.02173537 0.13147882 -0.14869574 -0.55003119 Cu 12.22347995 3.49076860 1.76889332 0.11984927 0.15768664 -0.25919870 Cu 10.52298067 5.23298169 1.71758593 -0.27117034 0.08203644 0.35481857 Cu 13.96923196 3.48596228 0.02531239 0.32990638 0.06257388 -0.23681281 Cu 15.74178421 5.22058468 0.01575069 -0.17067246 -0.13846653 0.26873434 Cu 15.77259939 3.48513182 1.77031814 0.21586588 -0.07662889 -0.11864705 Cu 13.97652540 5.25350437 1.75286613 0.45679765 0.11033095 -0.20087502 Cu 0.02243819 6.99297572 0.02127804 -0.01955123 0.06488978 0.11712109 Cu 1.71686006 8.71907528 0.02364324 0.19062849 -0.04692215 -0.47128951 Cu 1.78436642 7.00875575 1.76042925 -0.59057583 -0.22368881 -0.26222068 Cu 0.03295137 8.76976511 1.72871326 -0.47419920 -0.08013455 0.09289750 Cu 3.52831871 7.01487808 0.01577615 -0.02789720 -0.10176246 -0.35370786 Cu 5.27276134 8.71985042 0.00861798 -0.18673091 0.22707306 -0.43523490 Cu 5.28482934 7.03148879 1.73047789 -0.15722495 -0.27096821 0.17805178 Cu 3.51642049 8.74729618 1.78460463 -0.25803786 0.20258280 -0.47664128 Cu 6.97381899 6.99301446 0.00939014 0.19519946 0.03314824 -0.65117797 Cu 8.78229017 8.72424283 0.02693552 -0.23923616 0.10614535 -0.68867167 Cu 8.71603965 6.99764823 1.72334660 0.12074148 0.02166436 0.21488593 Cu 7.02159962 8.79737421 1.71789493 0.06414804 -0.22132620 0.16468516 Cu 10.47805552 7.02766191 0.02554216 0.11366452 -0.04569598 -0.62740655 Cu 12.19571954 8.78404908 0.00894734 0.26564178 -0.32589968 -0.52968483 Cu 12.22114682 6.97973214 1.75297687 0.25834925 0.52928570 -0.12944645 Cu 10.47895140 8.76312264 1.73026060 -0.00058384 -0.21079055 0.28348956 Cu 14.01105081 7.02127209 0.00880967 0.09954098 0.05220475 -0.41750763 Cu 15.77949614 8.74670486 0.02354620 -0.01990154 0.26670769 0.04731059 Cu 15.76910433 7.02793751 1.69517930 0.29684466 -0.18472915 0.17023625 Cu 14.03999927 8.73753447 1.73351010 -0.22797035 -0.13694185 0.05020995 Cu 0.01739017 10.47593086 0.02530182 0.04378835 0.11618021 -0.01998129 Cu 1.74927098 12.23279284 0.00751111 -0.23005957 0.16022230 -0.58001674 Cu 1.77701853 10.49348191 1.70649959 -0.18992139 -0.11779806 0.30155286 Cu 0.02744134 12.24460358 1.73543764 -0.33750637 -0.17261259 -0.15062388 Cu 3.50326889 10.53001097 0.02718291 0.10947226 -0.31357732 -0.55056875 Cu 5.25079138 12.23606328 0.02283090 0.06495306 0.13548823 -0.41493155 Cu 5.25784160 10.47531577 1.77406935 -0.12239253 0.06043625 -0.19414658 Cu 3.48427331 12.24145668 1.71789971 0.03184838 0.12779290 0.37534946 Cu 6.96842958 10.53112919 0.02063357 0.03684174 -0.10993251 -0.77301516 Cu 8.72531888 12.27958356 0.03014268 -0.06355806 0.10226146 -0.54207030 Cu 8.72818387 10.49585955 1.71545376 0.22201092 0.08116892 0.18115978 Cu 6.99898078 12.23276296 1.72414717 0.13125443 0.15529779 0.27310726 Cu 10.49562929 10.49688347 0.02152778 -0.22945268 0.22381399 -0.56441698 Cu 12.22614600 12.23327989 0.00437036 0.27608118 -0.06857027 -0.51970198 Cu 12.22563198 10.47762064 1.71654523 0.19598634 0.27546972 0.28591980 Cu 10.49619206 12.28062983 1.73277501 -0.17663214 -0.24382332 0.17477767 Cu 14.01755797 10.47291612 0.02297070 0.19321731 0.05358766 -0.32100478 Cu 15.78126928 12.24129399 0.02355223 -0.14528735 -0.15970653 0.20867803 Cu 15.73297373 10.50155715 1.77377624 0.57421094 -0.15882770 -0.37126309 Cu 14.03406723 12.28421109 1.73765516 -0.13174269 -0.16137382 -0.16158273 Cu 0.02036609 13.97461999 0.03144823 0.20576203 0.15155566 0.16235182 Cu 1.73918029 15.75218924 0.03439307 -0.09855988 -0.16723102 0.21162189 Cu 1.75494323 14.00745493 1.74117229 -0.19590304 0.14638824 -0.16785801 Cu 0.01982469 15.75685192 1.72853620 0.22238679 -0.14022330 -0.13624420 Cu 3.51454585 13.99474024 0.02585334 0.01398161 0.20153519 -0.38673252 Cu 5.26024694 15.77512904 0.00162676 0.03723834 -0.13351918 0.29163914 Cu 5.27681451 13.98866982 1.77816782 -0.10723441 0.20890569 -0.32108714 Cu 3.50604772 15.72860008 1.75705557 0.08771232 0.43826909 -0.21329884 Cu 6.94587286 14.02750913 0.01019329 0.11952569 0.05470432 -0.41983522 Cu 8.74558358 15.74985309 0.03303098 -0.13024793 -0.29617556 0.22307463 Cu 8.74439572 14.00372886 1.76381595 -0.13636000 0.32579030 -0.26292810 Cu 6.97622353 15.75489047 1.75374096 0.09617571 0.45213671 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0.07171771 -0.08983534 0.17712679 Cu 10.53159414 0.01152975 13.98192878 -0.13296102 -0.36520216 0.28888611 Cu 12.22524305 1.75023778 13.99185371 0.32979574 -0.02994932 0.64361417 Cu 12.23458411 0.02654092 15.76214469 0.02424623 0.19889311 -0.26190769 Cu 10.51439971 1.73501407 15.75998736 -0.15143454 -0.15527416 0.39081096 Cu 14.01515740 0.03140387 13.99632493 0.29155156 -0.15875560 0.53435547 Cu 15.78222631 1.78474694 13.99922079 0.15052168 -0.30476149 0.34715326 Cu 15.77508422 0.01395962 15.76029035 -0.53381773 0.72748551 -0.54067054 Cu 14.02138898 1.76876582 15.78211429 0.32325438 -0.26036976 0.04669668 Cu 0.00118302 3.52567017 13.96860551 -0.33893498 -0.08505914 0.51034565 Cu 1.77863579 5.23252505 14.03086099 -0.18001128 0.28530639 0.04857205 Cu 1.76190734 3.48577723 15.71877062 -0.15035308 -0.13863472 0.36934118 Cu 0.01487092 5.28413935 15.74144546 0.11755684 -0.01152499 -0.16023116 Cu 3.48893598 3.47356397 13.97264104 0.14145087 0.10885281 0.29586524 Cu 5.24668921 5.28147602 13.97727996 -0.06668995 -0.37904081 0.43455513 Cu 5.25500716 3.44268460 15.78433043 -0.09356245 -0.00695436 0.10440165 Cu 3.55780917 5.20073835 15.74536021 -0.09128867 0.07010315 0.44504315 Cu 7.01460711 3.53080852 14.00962552 -0.03928969 -0.13280177 0.34317532 Cu 8.77310092 5.25081709 13.97808534 0.02331331 -0.12713067 0.35849667 Cu 8.77360109 3.47332097 15.72163860 -0.08217555 0.06666473 0.46829166 Cu 7.00064952 5.25191084 15.74186561 -0.11009291 0.01972663 0.23150840 Cu 10.49699210 3.46657140 13.99533042 0.06161690 0.27937717 0.12667116 Cu 12.26517937 5.23562243 14.02467252 -0.21991118 0.15552241 -0.17887334 Cu 12.29170991 3.51710975 15.77327913 -0.14299479 -0.34393308 0.22569068 Cu 10.53210595 5.23782260 15.74487375 -0.06757149 0.11534563 0.41401076 Cu 14.02001848 3.52171977 13.98969706 0.22790438 -0.35922144 0.21543422 Cu 15.76337109 5.22181181 13.99117316 0.30471222 0.07627509 0.41835277 Cu 15.76988309 3.51290852 15.74509985 -0.26271064 -0.20869254 -0.06004028 Cu 13.96885754 5.21601024 15.73923304 0.59266009 0.15767708 0.36165367 Cu 0.00560649 6.96849501 14.02042699 -0.32347082 0.09749110 0.05714861 Cu 1.76665175 8.72853635 14.03051532 -0.16812634 0.00882659 -0.31356852 Cu 1.77303184 7.03128641 15.71989059 -0.11260233 -0.26300780 0.52361876 Cu 0.04244930 8.78307979 15.74020554 -0.03344549 -0.21194718 0.09725801 Cu 3.50717392 6.96342756 13.98710648 0.09272851 0.16092428 0.24430121 Cu 5.21427963 8.78026157 13.98303850 0.02155981 -0.20967862 0.24231320 Cu 5.22126388 6.98162474 15.73853968 0.09885231 0.15649614 0.33579289 Cu 3.50140065 8.72063753 15.72960652 0.14572346 0.24712694 0.53411014 Cu 6.97324001 7.03024806 13.98796184 0.14340072 -0.14321798 0.37482114 Cu 8.75467752 8.77952213 13.98079818 -0.15861758 0.09717442 0.22840739 Cu 8.77204495 7.01319508 15.72148763 -0.27612544 0.05849869 0.36704322 Cu 6.98652566 8.78152481 15.74859499 -0.09640482 -0.22266318 0.25691920 Cu 10.47824499 7.02182465 14.02599330 0.35648306 -0.22069955 -0.12566007 Cu 12.27302646 8.70386492 14.00307583 -0.25908908 0.05871524 0.05940254 Cu 12.27678512 6.96699934 15.73654716 0.12557164 0.04102032 0.51210519 Cu 10.52060002 8.72750014 15.72426535 0.09719270 0.11831747 0.44131221 Cu 14.03329178 7.00620589 13.97529315 0.28678654 -0.12562855 0.50230171 Cu 15.77912688 8.76771202 14.02105272 0.27144727 -0.07342841 0.04981931 Cu 15.73065847 7.01443571 15.77283827 -0.34912067 0.08676095 -0.23365924 Cu 13.98639895 8.78309983 15.72283499 0.17932779 -0.13250995 0.42760088 Cu 0.02489062 10.47622773 14.02147001 -0.34804176 0.06441872 -0.11540514 Cu 1.73121412 12.22918664 14.00290962 -0.08146902 0.18571290 0.19120016 Cu 1.75563780 10.47408855 15.72213337 -0.03792892 0.04895576 0.47054647 Cu 0.00636241 12.21865936 15.74417814 0.24964802 -0.03174249 -0.23050296 Cu 3.51274613 10.51126958 13.97530160 -0.18984334 0.13241999 0.42331349 Cu 5.25675600 12.22091508 14.01196231 0.04980665 0.16496583 0.27699036 Cu 5.28125417 10.49044963 15.74558402 -0.28139734 0.08556243 0.56071226 Cu 3.46329059 12.25561443 15.78377993 0.01572274 0.09791459 0.21740701 Cu 6.98115697 10.51508692 14.01774555 0.12648387 -0.03101471 -0.18227713 Cu 8.74517597 12.25725407 13.99667060 0.05620405 -0.24011650 0.22832611 Cu 8.72063810 10.48492853 15.76139200 0.14806002 -0.06438154 0.32394861 Cu 6.99681516 12.22942349 15.78137545 0.15821857 0.09787501 0.32944120 Cu 10.53173177 10.51516269 13.99744533 -0.19574433 -0.08681514 0.24092323 Cu 12.22492706 12.25828650 14.00127310 0.05589242 0.11736159 0.01681181 Cu 12.24281357 10.51872418 15.72561106 -0.05999087 0.01066907 0.42518164 Cu 10.47840063 12.25029619 15.76954884 -0.17996343 0.12824566 0.34598997 Cu 13.98466753 10.48186014 13.99325680 0.36659619 0.10100053 0.17317842 Cu 15.78077564 12.23153688 14.00810918 0.16140156 0.01313684 0.31934767 Cu 15.74712635 10.45811294 15.74583532 -0.06257588 0.03077162 -0.18742809 Cu 13.98469647 12.22361981 15.73536419 0.43913330 -0.06186598 0.24913672 Cu 0.01360059 14.00706897 13.97261973 -0.27511716 0.28735821 0.40398179 Cu 1.75955125 15.73593695 13.98368461 -0.06990735 0.49027511 0.34589950 Cu 1.73152977 14.02777839 15.75341655 -0.23064774 0.18450390 0.11565927 Cu 0.01681366 15.74964074 15.72803599 0.38729468 -0.39608345 -0.61176490 Cu 3.50550493 13.99747993 14.00708386 -0.19686964 0.15224448 0.46340974 Cu 5.22328040 15.77873216 13.98765380 0.06365310 0.18112442 0.20435096 Cu 5.24012595 14.00970196 15.73906632 0.25316092 0.10272362 0.16742275 Cu 3.54336060 15.74557849 15.77153178 -0.00800720 -0.24509599 -0.17401439 Cu 7.03495318 13.98977056 13.98448410 -0.29737308 0.18363884 0.36176163 Cu 8.78607120 15.72668135 13.96848716 -0.03800230 0.37616898 0.20658063 Cu 8.73621945 14.00529452 15.77169693 -0.13020614 0.20347126 0.26996299 Cu 6.97847229 15.73181219 15.74856921 0.05345874 -0.09608083 -0.23135131 Cu 10.48440460 13.99395068 13.98650188 0.14383869 0.22047460 0.14786948 Cu 12.26332725 15.77628045 14.03468970 -0.13433874 0.10531920 0.04271427 Cu 12.24210267 13.96617475 15.75248392 -0.04894232 0.34127611 0.33300611 Cu 10.45812857 15.74485388 15.73327249 0.01401373 -0.27957055 -0.05614353 Cu 14.01328364 14.00917243 14.03843394 0.06861972 0.07518125 0.04524949 Cu 15.72271912 15.70846824 14.02827559 0.02444059 -0.08273228 0.00601940 Cu 15.74248488 14.00772257 15.75826933 -0.18040036 0.02577315 -0.25605190 Cu 14.01239558 15.75587288 15.72788504 0.07350710 -0.16796247 -0.11517177