500 Lattice="17.879758224467075 0.0 0.0 0.0 17.879758224467075 0.0 0.0 0.0 17.879758224467075" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1617.5180522207443 stress="-0.0065695139001324095 0.000247708432483216 2.092849828651384e-05 0.000247708432483216 -0.006421767104654546 7.751643659301061e-05 2.092849828651384e-05 7.751643659301061e-05 -0.006754213515831099" free_energy=-1617.5180522207443 pbc="F F F" Cu 0.00893305 0.01796954 0.03145712 0.39424357 0.46658599 0.39792232 Cu 1.79183142 1.76611808 0.02615175 0.08267768 0.11189889 -0.18614727 Cu 1.76176382 0.01698166 1.75772195 0.14141088 -0.07972649 0.21514704 Cu 0.00558167 1.82308658 1.76202001 -0.09390610 -0.25288178 0.25967230 Cu 3.61149467 0.02294796 0.01190236 -0.07658547 0.26370259 0.33701813 Cu 5.34042751 1.81801301 0.03998364 0.23466574 -0.14685047 -0.17115978 Cu 5.36487358 0.00515127 1.82052507 0.02794932 -0.03591428 -0.07312139 Cu 3.59977660 1.81872734 1.80983509 -0.17778355 -0.30041483 -0.09249508 Cu 7.15816648 0.02174486 0.00680039 -0.12325342 0.29757892 0.30208016 Cu 8.95852129 1.77139073 0.02955549 -0.22835906 0.13357405 -0.37339414 Cu 8.95976120 0.01082660 1.76165332 -0.17752538 -0.31417115 0.13961472 Cu 7.17228733 1.79259047 1.80288511 -0.41116792 -0.16441004 -0.25522281 Cu 10.69643224 0.00395313 0.00902487 0.19432807 0.22823095 0.20902382 Cu 12.49534240 1.78939361 0.02846606 0.14819911 -0.07948909 -0.20029090 Cu 12.52977843 0.00949283 1.76292138 -0.18509083 -0.10811378 0.16684794 Cu 10.69451898 1.81341763 1.78060578 0.25334008 -0.41092870 0.15293757 Cu 14.27568194 0.01014699 0.01475925 0.11231919 0.42638521 0.34515590 Cu 16.09809682 1.78260119 0.01734468 -0.51675259 0.13915173 0.44376436 Cu 16.08543155 0.03316910 1.79695220 -0.43049061 0.33133464 0.07374986 Cu 14.29685183 1.80230184 1.82179514 0.26881868 -0.21926200 -0.52638660 Cu 0.00609625 3.55504549 0.01911789 0.22604733 0.09845598 0.21383033 Cu 1.76206557 5.32630594 0.03581699 0.17363186 0.19297102 -0.19691043 Cu 1.80444857 3.56879718 1.77333432 -0.17896261 0.00335575 0.21334286 Cu 0.00576506 5.37316543 1.84313977 -0.21656331 -0.24892501 -0.17495653 Cu 3.59329321 3.59910497 0.02198074 -0.12214037 -0.12326639 -0.26359125 Cu 5.32962152 5.39242324 0.01527134 0.25611972 -0.09433978 -0.28140071 Cu 5.35424936 3.60317805 1.81278335 0.13325033 -0.18939967 -0.05564454 Cu 3.59472667 5.36719153 1.79598756 -0.09857482 0.03257137 -0.01904530 Cu 7.14744311 3.59855258 0.00738344 -0.06509266 -0.08368993 -0.13156961 Cu 8.96677382 5.35507327 0.02750413 -0.10694587 0.10245693 -0.25164457 Cu 8.92004037 3.56976507 1.77376081 0.02091195 0.14099887 0.04065048 Cu 7.12131584 5.37901290 1.79740379 0.27384637 -0.05765283 -0.08662990 Cu 10.74664451 3.54588085 0.02257951 -0.07855040 0.22362519 -0.34456627 Cu 12.53955112 5.35784179 0.00815658 -0.08167950 0.03407386 -0.07318670 Cu 12.48238526 3.54620900 1.82298640 0.34137870 0.35289887 -0.23800552 Cu 10.73368277 5.33834009 1.78659847 0.00367362 0.21281363 -0.07139928 Cu 14.26817523 3.59117209 0.00556582 0.28107033 -0.12467239 0.04282856 Cu 16.10077026 5.38524023 0.01055797 -0.40315044 -0.04807482 0.34902537 Cu 16.09280214 3.59734273 1.81852685 0.14578696 -0.15330133 -0.37790176 Cu 14.33218477 5.37700805 1.81612633 -0.08225357 -0.18055692 -0.34445977 Cu 0.03412514 7.10634769 0.02336725 0.15662759 0.09794386 0.18388905 Cu 1.76420294 8.96272168 0.03087632 0.19618465 -0.25879023 -0.26395522 Cu 1.76170894 7.12400417 1.81153920 0.15302139 0.28214538 -0.25488139 Cu 0.00580452 8.93228646 1.75854766 -0.19792603 -0.13463790 0.28078057 Cu 3.59812115 7.18160998 0.01498618 -0.40801005 -0.23869593 -0.21526728 Cu 5.33217539 8.93136749 0.02285815 0.39776352 0.09784139 -0.41237275 Cu 5.38638994 7.17245799 1.76147219 -0.11687840 -0.10311560 0.34988360 Cu 3.59820808 8.91972637 1.77674445 -0.34861382 0.00911401 0.15259218 Cu 7.16136345 7.17568968 0.03068412 0.07173940 -0.12495541 -0.27930796 Cu 8.93641824 8.95941209 0.00497910 0.05568022 -0.17163800 -0.16281704 Cu 8.96566789 7.12786148 1.80073963 -0.12596899 0.12088831 -0.10732033 Cu 7.18324548 8.92504625 1.82759006 -0.13063149 0.10827758 -0.21054354 Cu 10.76159992 7.16999026 0.00424807 -0.11658617 -0.11280095 -0.10140134 Cu 12.48358488 8.98017180 0.00847943 0.22978302 -0.08095307 -0.14084000 Cu 12.53995407 7.12947758 1.79743765 -0.26239675 0.30066818 -0.15156030 Cu 10.71426688 8.96039479 1.76680878 0.03149867 -0.18378879 0.17739193 Cu 14.30042725 7.19487586 0.01946127 0.06407325 -0.21038519 -0.22062122 Cu 16.11699897 8.96567866 0.01141669 -0.33690396 -0.06666141 0.25143838 Cu 16.09002255 7.17053831 1.80762132 0.23221404 -0.13597417 -0.14142870 Cu 14.32655900 8.90751656 1.77579384 -0.27881559 0.37124330 -0.02079485 Cu 0.02565946 10.70722610 0.00983292 0.15957659 0.24609366 0.24428221 Cu 1.81862799 12.52384301 0.00924601 -0.21645649 -0.06190109 -0.07422082 Cu 1.75390626 10.69342759 1.79214058 0.21555267 0.35079764 -0.09055347 Cu 0.01495223 12.55623908 1.81652204 -0.16238260 -0.21964587 -0.21518668 Cu 3.60023321 10.72850346 0.01974812 -0.28610210 0.00254492 -0.25371605 Cu 5.39712769 12.48376266 0.00314300 -0.25321376 0.18445268 -0.18080715 Cu 5.34178487 10.68845639 1.75543838 0.33149254 0.30728263 0.30372993 Cu 3.56208901 12.53911230 1.76760365 0.13508187 -0.14587371 0.04896474 Cu 7.18184937 10.73267043 0.02661716 -0.22587383 -0.12224417 -0.26327917 Cu 8.95396156 12.50265956 0.01496014 -0.19673330 0.23454801 -0.25784438 Cu 8.91791531 10.74922174 1.77115195 0.11540030 -0.20205369 0.25198112 Cu 7.12122400 12.51867749 1.81133788 0.21266123 -0.14655431 -0.21775022 Cu 10.70485241 10.74439791 0.00872411 0.09849816 -0.02639123 -0.22153400 Cu 12.48652904 12.53173025 0.01003799 0.13498450 -0.18341673 -0.10347046 Cu 12.48195775 10.71507090 1.81863904 0.45501225 0.17850025 -0.30750342 Cu 10.69500994 12.50472393 1.80282300 0.18689345 0.17321081 -0.09454663 Cu 14.30696978 10.75879208 0.01315432 -0.05245611 -0.06015937 -0.04046674 Cu 16.12188998 12.53866862 0.01817772 -0.32910468 -0.10467094 0.27104258 Cu 16.07185206 10.70515965 1.78096567 0.24486470 0.19499943 -0.06510633 Cu 14.34816119 12.53150213 1.82038810 -0.27295113 -0.15891651 -0.29806238 Cu 0.00841297 14.27339030 0.01911253 0.32866203 0.06276967 0.29730739 Cu 1.75233046 16.08580021 0.01517879 0.17411143 -0.28844927 0.29054530 Cu 1.77622726 14.33573148 1.79663997 -0.07335008 0.08488040 -0.14148176 Cu 0.02333666 16.12427515 1.76306302 0.27779621 -0.46177316 0.20080566 Cu 3.54697746 14.33883048 0.00977675 0.21550614 -0.05640170 -0.09371426 Cu 5.33878094 16.12361815 0.01309205 0.09284440 -0.38163916 0.33375842 Cu 5.39735176 14.30224149 1.78258282 -0.46507452 0.12758418 -0.23429238 Cu 3.59438692 16.10032776 1.80944967 -0.19929614 0.08979202 -0.20304228 Cu 7.12868727 14.28655356 0.02195376 0.15710391 0.18756897 -0.18120345 Cu 8.90867281 16.09911226 0.01250271 -0.01701485 -0.38305469 0.35798536 Cu 8.92530126 14.29633214 1.80606130 0.05105457 0.21466200 -0.16571007 Cu 7.12244286 16.09570704 1.82151526 0.16151175 0.14870872 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1.81667904 16.06049736 0.20371318 -0.32168467 0.42845155 Cu 10.76357234 0.00611517 14.32413488 -0.19719145 -0.09765030 -0.07277238 Cu 12.51161982 1.82045540 14.28008052 0.29490291 -0.33353358 0.35332369 Cu 12.48716538 0.00160513 16.11880295 0.26892071 0.36631617 -0.40051029 Cu 10.76696772 1.76922908 16.07162835 -0.21545526 0.06732449 0.18799307 Cu 14.31233808 0.02915996 14.29950674 -0.10399131 -0.21491027 0.37827018 Cu 16.06044746 1.76818220 14.29612054 0.37236246 0.07105793 0.26271915 Cu 16.09461825 0.03019359 16.10559490 -0.54543233 0.51532544 -0.53758953 Cu 14.33095640 1.81773732 16.11575384 -0.24216848 -0.25656944 -0.01780238 Cu 0.03507097 3.54895498 14.28161361 -0.17253680 0.30701383 0.23996464 Cu 1.82354811 5.38605373 14.33627921 -0.42462568 -0.29218955 -0.31763335 Cu 1.81403344 3.56863730 16.11754685 -0.12872856 0.09768665 -0.00208898 Cu 0.00525880 5.36994539 16.11780864 0.32840659 -0.14095799 -0.45122194 Cu 3.60989254 3.60987298 14.31435461 -0.25529487 -0.28972746 0.10013282 Cu 5.37781505 5.35204173 14.33745863 0.06938712 0.11541478 -0.28168621 Cu 5.39777802 3.54278955 16.10890932 -0.20444880 0.28029307 0.21277187 Cu 3.57604344 5.38106352 16.08067746 0.03414921 -0.20098473 0.38735146 Cu 7.14749324 3.56439709 14.32924189 0.00587468 0.19854080 -0.23326415 Cu 8.92137467 5.35785514 14.28893181 0.31562624 -0.07509676 0.29982333 Cu 8.96714101 3.54150641 16.09938844 -0.03083017 0.21637418 0.12386177 Cu 7.15232735 5.39593816 16.07771926 0.19433030 -0.19500001 0.31478403 Cu 10.76252475 3.56344214 14.30773394 -0.34597977 0.23005110 0.05668876 Cu 12.52014625 5.34997236 14.27165233 -0.12053017 0.10043863 0.27790269 Cu 12.49120405 3.60359364 16.06514271 0.33070535 -0.15555023 0.34192772 Cu 10.76255143 5.34025415 16.12425565 -0.24451011 0.19384595 -0.08773589 Cu 14.32498116 3.57455721 14.33437595 -0.15632296 0.18905213 -0.15800855 Cu 16.10772178 5.37740797 14.28265296 -0.01323511 0.11197931 0.18775334 Cu 16.06531630 3.56802003 16.05969572 -0.07236587 0.12954964 -0.14031143 Cu 14.30505781 5.41567491 16.10241125 0.00820647 -0.15584794 0.01858361 Cu 0.00179427 7.13815548 14.27922089 -0.10995830 -0.06325939 0.10617887 Cu 1.76990996 8.93525097 14.27518182 0.07364870 -0.05274031 0.27140973 Cu 1.76046756 7.11621755 16.06043029 0.06300460 0.36096409 0.26904406 Cu 0.01919980 8.97140217 16.07692211 0.27079975 -0.14343843 -0.28506409 Cu 3.60014212 7.14170700 14.32680137 -0.19813803 0.13957421 -0.16047264 Cu 5.36192947 8.94283095 14.32659898 0.20750646 -0.17943190 -0.02565914 Cu 5.33655737 7.12099980 16.08756990 0.30419795 0.29583029 0.29426536 Cu 3.59873263 8.94080526 16.09247543 -0.24692206 -0.12032412 0.17946172 Cu 7.17060189 7.13377882 14.31743659 -0.17290106 0.20769711 -0.11546796 Cu 8.93890270 8.93843084 14.28965322 -0.11109098 -0.01165057 0.06737615 Cu 8.99496665 7.18056702 16.08678739 -0.13547231 -0.16636343 0.12463048 Cu 7.17884506 8.96995584 16.08397771 -0.18608248 -0.36918605 0.20039197 Cu 10.75191222 7.18610717 14.30044584 -0.20896485 -0.40606023 0.10934765 Cu 12.50068995 8.92048851 14.30766513 0.14206535 0.30328021 -0.12950676 Cu 12.48734211 7.18296238 16.11520562 -0.00361504 -0.20964855 0.07546018 Cu 10.72396653 8.99225992 16.07831575 0.00876662 -0.25971620 0.33709557 Cu 14.26908728 7.12252481 14.29313166 0.35400231 0.26664361 0.12040441 Cu 16.07159564 8.94847424 14.30179964 0.17179806 -0.14613698 -0.04580434 Cu 16.08991692 7.19082887 16.09204653 -0.26719409 -0.10908286 -0.36286270 Cu 14.28620284 8.89307178 16.06113428 0.10032015 0.24992632 0.22564377 Cu 0.01198757 10.76169334 14.33902400 -0.24544206 -0.28171437 -0.24982270 Cu 1.75911373 12.48177827 14.29345600 0.33703711 0.33914614 0.04782203 Cu 1.82098604 10.73063880 16.06648772 -0.20673811 -0.14835642 0.31655966 Cu 0.01797977 12.50695520 16.05935192 0.18338936 0.09630364 -0.05438117 Cu 3.55800196 10.70228655 14.31576164 0.13778210 0.11763298 -0.14659941 Cu 5.39581487 12.48842657 14.26848678 -0.51578086 0.27303875 0.39659905 Cu 5.37582382 10.70447322 16.08577043 -0.14064418 0.18205424 0.23375121 Cu 3.54362485 12.49606090 16.06785634 0.24362095 0.12222398 0.15261019 Cu 7.13705842 10.76234199 14.32378453 0.24355246 -0.33842166 -0.04249501 Cu 8.94502451 12.48361001 14.32186357 -0.06791080 0.26939861 0.07283619 Cu 8.91829206 10.69611331 16.10645646 0.12967635 0.28583178 0.17318307 Cu 7.13339981 12.50278991 16.11807058 0.07977732 0.12603866 0.11539732 Cu 10.70236168 10.72317927 14.32968840 0.23506010 0.16192504 -0.22883906 Cu 12.50553769 12.53928099 14.32506149 0.06657990 -0.06472941 -0.21028262 Cu 12.50093410 10.72386959 16.07234103 0.18809926 0.03676170 0.20444240 Cu 10.75886314 12.55066668 16.08892755 -0.21854025 -0.21320640 0.30479950 Cu 14.30237657 10.70992124 14.30524771 0.08967538 0.17245229 0.16442750 Cu 16.09829653 12.54329348 14.27091480 0.18341862 -0.28017294 0.32048404 Cu 16.10422904 10.69817569 16.05900712 -0.40952178 0.12245757 -0.26988707 Cu 14.27308337 12.53479758 16.08097316 0.22574576 -0.05563092 0.06852315 Cu 0.04260633 14.29154598 14.29199534 -0.23509331 0.22074759 0.11256425 Cu 1.78299122 16.09379200 14.28440713 0.03463461 -0.01261500 0.15796899 Cu 1.77745009 14.29271038 16.10690348 0.11259999 0.11982634 -0.08222226 Cu 0.03559244 16.07164441 16.06500704 0.46321478 -0.46627203 -0.46631120 Cu 3.59755090 14.32032125 14.32680983 -0.24009619 -0.04464340 -0.16662560 Cu 5.38753101 16.10131353 14.29606299 -0.16016443 0.01418376 0.08253646 Cu 5.33675693 14.28745137 16.06666873 0.12776250 0.11424567 0.16207075 Cu 3.56718028 16.11075926 16.12131380 -0.02629572 -0.41959248 -0.47452869 Cu 7.16164045 14.27202503 14.30376288 -0.00043791 0.36779171 0.26831748 Cu 8.96839318 16.10632945 14.33190961 -0.18344558 0.00025766 -0.24308503 Cu 8.93778655 14.32584917 16.09890518 -0.11775436 -0.13182772 0.13446781 Cu 7.15567924 16.10372619 16.06026165 -0.04426488 -0.35621979 -0.26493930 Cu 10.69198167 14.28209565 14.33835277 0.20824272 0.35452491 -0.43005140 Cu 12.57340279 16.11254197 14.27751436 -0.30574185 -0.07487465 0.12627454 Cu 12.48980786 14.34630969 16.07072995 0.25145411 0.00353956 0.11840804 Cu 10.71040078 16.07631897 16.07043262 0.13908575 -0.12855991 -0.20494736 Cu 14.33697386 14.30089913 14.28996278 -0.20852871 0.25227462 0.30027657 Cu 16.08998956 16.09680839 14.32844455 -0.41622405 -0.33785771 -0.08790176 Cu 16.11820565 14.29130028 16.06369034 -0.40759136 -0.03407579 -0.31854855 Cu 14.32236077 16.07371412 16.11813479 -0.05587611 -0.42336055 -0.44663694