500 Lattice="18.45926281037443 0.0 0.0 0.0 18.45926281037443 0.0 0.0 0.0 18.45926281037443" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1303.6270505253426 stress="-8.323199396072111 -0.3801040038899277 -1.0503042271578593 -0.3801040038899277 -8.852938536673491 1.3079886778073728 -1.0503042271578593 1.3079886778073728 -8.640829480193927" pbc="F F F" Cu 0.00746483 -0.03252273 -0.01228170 -0.29999520 -0.25304223 -0.25997338 Cu 1.81904290 1.84730734 0.00140067 0.71794346 0.50164123 -0.71951355 Cu 1.81186412 0.01585836 1.87024531 0.72882435 -0.76378034 0.35330331 Cu 0.00680720 1.85116800 1.84720862 -0.83361680 0.39187318 0.58040434 Cu 3.63778573 -0.01350810 -0.01897677 0.21221769 -0.45018110 -0.25646086 Cu 5.51494873 1.83436888 0.01258201 0.16765395 0.42159685 -0.89732658 Cu 5.57024011 0.02208975 1.87544148 -0.47728497 -0.95771616 0.15561832 Cu 3.72788943 1.84110999 1.83853469 -0.47164660 0.58244556 0.87124112 Cu 7.39711139 -0.03567445 -0.00568807 -0.06512479 -0.36721412 -0.47791936 Cu 9.25634510 1.82825106 -0.00449348 -0.31678637 0.70711589 -0.81146806 Cu 9.25506142 0.01487370 1.81752061 -0.26310263 -0.80069600 0.85821989 Cu 7.36053814 1.83109885 1.81853626 0.46858580 0.85401186 0.68352485 Cu 11.04629319 0.01929442 -0.01656055 0.21969798 -0.65724692 -0.72577018 Cu 12.95406241 1.81905694 0.01398127 -0.20274832 0.73066313 -0.65787753 Cu 12.88019349 -0.02049015 1.81142456 0.08517702 -0.57256254 0.84958356 Cu 11.04499756 1.82493506 1.83760604 0.41588690 0.80769515 0.86553656 Cu 14.78114436 0.01202473 0.03204307 -0.23430415 -0.59825673 -0.57868064 Cu 16.63104319 1.88072913 0.00611759 0.58762586 0.02177036 -0.61130346 Cu 16.62541753 -0.01310501 1.85896099 0.68648165 -0.48469447 0.19508679 Cu 14.78364276 1.85694733 1.87621995 -0.77784503 0.49507493 0.45881002 Cu -0.02605495 3.65604486 -0.01349706 -0.45419406 0.27034729 -0.44989375 Cu 1.87577171 5.49860866 0.02586298 0.20044825 0.16572949 -0.86460807 Cu 1.85437594 3.70344347 1.83120006 0.46659306 -0.26841326 1.05521355 Cu -0.02935954 5.55159342 1.81867286 -0.52608628 -0.26774883 0.66328231 Cu 3.70034413 3.70861187 0.01766320 0.28648221 -0.11659131 -0.70004815 Cu 5.59305919 5.57640285 -0.01778720 -0.24791853 -0.33234518 -0.45584565 Cu 5.54872568 3.65793375 1.85344148 0.08479739 0.56250749 0.42813725 Cu 3.68652853 5.51657830 1.83121707 0.50700231 0.30344362 0.70993591 Cu 7.41684309 3.68108620 -0.03318569 -0.25986996 0.04077661 -0.49965391 Cu 9.22592368 5.56738482 0.01759561 0.26117391 -0.18482802 -0.51688912 Cu 9.19275452 3.66592288 1.83232078 0.40277150 0.21654384 0.88072278 Cu 7.40537350 5.49172321 1.86989915 -0.15549918 0.29412671 0.71952966 Cu 11.10071116 3.68312548 0.03144904 -0.21174859 0.13515827 -0.54562096 Cu 12.93740657 5.51381386 -0.01090954 -0.02150731 0.08022711 -0.42939655 Cu 12.90954349 3.66543966 1.86171267 0.23593904 0.29507065 0.57874044 Cu 11.08509987 5.56577951 1.84804023 -0.27361084 -0.52944511 0.38374261 Cu 14.79993632 3.68608677 0.02367762 -0.97806310 0.03356860 -0.69559491 Cu 16.58132878 5.51671709 -0.02458509 0.61941491 0.07632329 -0.48031718 Cu 16.59655170 3.66423259 1.82766165 0.73277957 0.35995108 0.81880855 Cu 14.76869683 5.56807120 1.85554125 -0.85362709 -0.39417884 0.61626217 Cu 0.02730167 7.33811339 -0.02566017 -0.45231092 0.16428155 -0.58554998 Cu 1.84990035 9.23166643 -0.00697616 0.28397117 0.08156880 -0.69827079 Cu 1.84815826 7.38588664 1.82031365 0.69369250 0.00553079 0.64660307 Cu -0.01643019 9.21455896 1.82422471 -0.62047074 0.10416931 0.45641882 Cu 3.66010731 7.41536189 -0.00915983 0.46432543 -0.17667311 -0.49849793 Cu 5.60429598 9.24314413 -0.00919960 -0.39810278 -0.20116447 -0.49156189 Cu 5.55641195 7.32735763 1.81990518 -0.19981835 0.28102085 0.89357088 Cu 3.69709085 9.23929957 1.83444000 0.28738310 -0.22137093 0.65301746 Cu 7.42895654 7.39593715 0.02201754 -0.04352322 -0.09371638 -0.57187120 Cu 9.23457819 9.23916962 -0.01384858 0.16811452 -0.08820439 -0.34510149 Cu 9.23136048 7.37103417 1.87879855 0.01989055 0.36153591 0.43436749 Cu 7.36074181 9.20468934 1.83825706 0.34187911 0.23591149 0.94221441 Cu 11.11029067 7.40835304 -0.00583519 -0.21426511 -0.11574427 -0.51473769 Cu 12.93918908 9.25368160 -0.03607757 -0.05002859 -0.17307955 -0.42264445 Cu 12.89051977 7.35626275 1.85270163 0.32035843 0.54692770 0.42279330 Cu 11.09906715 9.24549175 1.82434042 -0.30011605 -0.13574068 0.88428900 Cu 14.78272877 7.39243167 -0.02091515 -0.76360760 0.05900760 -0.38025118 Cu 16.61378907 9.21227358 -0.02237284 0.47013824 0.10427709 -0.20793028 Cu 16.63072659 7.35240462 1.83392688 0.59111555 0.32313989 0.49837404 Cu 14.73855415 9.25934131 1.87703606 -0.16310419 -0.33196677 0.24205964 Cu -0.02210961 11.07090175 -0.02116563 -0.36867488 0.13789796 -0.34335877 Cu 1.86678711 12.91931546 -0.00466735 0.37445825 -0.29592140 -0.42443592 Cu 1.83088734 11.03959754 1.83869308 0.69345663 0.36285654 0.66146228 Cu -0.02566659 12.93465530 1.87614328 -0.58352101 -0.28487615 0.16650909 Cu 3.71240987 11.05109021 -0.02690268 0.10509817 0.17600416 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16.59431147 -0.14107196 0.13443278 0.78098574 Cu 0.00249733 7.40837153 14.76257968 -0.50185628 -0.16332958 -0.49754287 Cu 1.86548667 9.26603654 14.77557997 0.61612853 -0.65812586 -0.84157296 Cu 1.84445324 7.41409009 16.59062236 0.47556528 -0.16977347 0.53756186 Cu 0.01378357 9.25193503 16.62682660 -0.60239115 -0.16641823 0.55402983 Cu 3.73446097 7.35765723 14.77090223 -0.46240655 0.45284574 -1.00263149 Cu 5.52442652 9.24069390 14.79025527 0.24465220 -0.15961213 -1.21176149 Cu 5.57249102 7.40511039 16.61342121 -0.11486164 -0.08518416 0.63418517 Cu 3.66284242 9.23613461 16.60445122 0.24583730 -0.04897242 0.62317574 Cu 7.40960190 7.35407948 14.75198466 -0.18506092 0.27193168 -0.73742538 Cu 9.25470261 9.19703119 14.74637896 -0.30435876 0.27183303 -0.65406768 Cu 9.25840540 7.39357225 16.59572371 -0.25449460 -0.10520866 0.56204187 Cu 7.37550393 9.23430757 16.59251954 0.38715544 -0.02780920 0.46302020 Cu 11.05383050 7.37107644 14.73859800 0.41672756 -0.19460074 -0.49236715 Cu 12.92796193 9.23635392 14.76151288 -0.39465713 0.20143158 -0.29307443 Cu 12.95050417 7.38315407 16.61926330 -0.38498849 0.16633567 0.43866368 Cu 11.05109692 9.24373447 16.63869131 0.41668864 -0.13196103 0.34417735 Cu 14.73756217 7.41727768 14.75537878 -0.30161671 -0.24689388 -0.55347786 Cu 16.64812047 9.17266992 14.80195806 0.53011593 0.34459318 -0.70015736 Cu 16.61897421 7.35227755 16.57951037 0.29128546 0.09053114 0.80040473 Cu 14.73768014 9.25191936 16.61974873 -0.17277845 -0.19700719 0.65723573 Cu 0.03333239 11.05630201 14.78860758 -1.03492845 0.47361350 -0.63977139 Cu 1.81369844 12.94870989 14.76602508 0.99293879 -0.41498936 -0.59225694 Cu 1.81883368 11.08083677 16.58379195 0.90846459 0.30635288 0.91996633 Cu 0.01250729 12.95385677 16.64697693 -0.69006149 -0.22752075 0.40444276 Cu 3.67205154 11.06756333 14.74686506 0.22346927 0.41695640 -0.46114058 Cu 5.52979466 12.94194593 14.80053898 0.19985376 -0.12809608 -1.18390279 Cu 5.53574108 11.04571226 16.62845165 -0.06784634 0.25573068 0.42474507 Cu 3.71596281 12.94619811 16.59579334 -0.27233507 -0.39416677 0.56572184 Cu 7.41999423 11.09861614 14.78709869 -0.28498162 -0.29915291 -1.00471753 Cu 9.20079709 12.91801828 14.77005407 0.47758388 0.13438136 -0.62095895 Cu 9.25119780 11.08901667 16.60886243 -0.23186680 0.02083468 0.65297588 Cu 7.36220532 12.94807836 16.62392211 0.13167918 -0.33692519 0.56286309 Cu 11.03936528 11.07179986 14.78653594 0.44248281 0.17252284 -0.67336221 Cu 12.93535628 12.89771655 14.75034665 -0.18500007 0.28559244 -0.45797303 Cu 12.94592984 11.09810034 16.63570775 -0.46800990 -0.20384700 0.36526421 Cu 11.10307243 12.94904805 16.63747524 -0.04955229 -0.19369977 0.25223215 Cu 14.80197193 11.07561257 14.79232794 -0.87338963 -0.20346924 -1.12108224 Cu 16.59490167 12.89646005 14.76375608 0.80459145 0.21179056 -0.59917255 Cu 16.59164751 11.09386149 16.61550679 0.72868323 -0.24067748 0.62524630 Cu 14.76349288 12.88614013 16.59424991 -0.54028072 0.59352238 0.71641454 Cu 0.03123769 14.77616370 14.75393282 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14.79218339 16.62801668 0.11924315 -0.56280351 0.38312161 Cu 11.05459141 16.64066205 16.63827294 0.00158988 0.33672336 0.24812990 Cu 14.80149541 14.80380420 14.74970671 -1.14124317 -1.25883619 -0.17498534 Cu 16.58631935 16.60403657 14.76648626 0.92109805 0.87083164 -0.34545636 Cu 16.60478394 14.78607975 16.63741312 0.58639291 -0.66556328 0.49510812 Cu 14.79027790 16.60431398 16.59612109 -0.72814057 0.74767192 0.58756333