108 Lattice="11.24401796544483 0.0 0.0 0.0 11.24401796544483 0.0 0.0 0.0 11.24401796544483" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.67100557451909 stress="-0.004488684247591609 2.8944977176380942e-05 -0.0002638624943305985 2.8944977176380942e-05 -0.004392546719262378 -0.0003942410767561614 -0.0002638624943305985 -0.0003942410767561614 -0.00452025273930051" free_energy=-226.67100557451909 pbc="F F F" Cu 0.03315693 0.00971107 0.00988374 -0.40525624 -0.36508095 -0.36812709 Cu 1.85225304 1.86066906 0.02490178 0.74539649 0.69169619 -0.66340962 Cu 1.85285955 0.02382337 1.85595637 0.76285744 -0.80667155 0.55658191 Cu 0.03511779 1.85081066 1.86952885 -0.74856286 0.82506271 0.62108160 Cu 3.78328285 0.00950293 0.02014248 -0.18355756 -0.51014586 -0.35399792 Cu 5.58741009 1.84839017 0.01983182 0.41211501 0.68267147 -0.44322938 Cu 5.63906465 0.01274627 1.91074338 -0.14928989 -0.56943607 0.26569325 Cu 3.76451317 1.85296875 1.85281544 -0.13328129 0.77130575 0.90357187 Cu 7.48975675 0.01833034 0.00596127 -0.34693887 -0.35966331 -0.27493822 Cu 9.40035053 1.83743308 0.03705101 0.21583122 0.65747278 -0.42782452 Cu 9.37657677 0.03121729 1.89959374 0.36702982 -0.62094689 0.26957565 Cu 7.50324478 1.88973986 1.89386388 -0.58049192 0.63437112 0.20146895 Cu 0.03743265 3.77845901 0.02849407 -0.42209077 -0.22109439 -0.41840215 Cu 1.89475733 5.59195759 0.02029724 0.52775026 0.34204287 -0.47318326 Cu 1.89627115 3.76382518 1.90334239 0.56205979 -0.38791320 0.38187245 Cu 0.01955522 5.57409990 1.88238272 -0.53146996 0.33540691 0.47029672 Cu 3.76284466 3.71666669 0.00035286 0.07302704 0.27741717 -0.11551418 Cu 5.63184787 5.64211918 0.03410103 -0.29748689 -0.23114956 -0.35222884 Cu 5.65522697 3.72353079 1.90870247 -0.58918459 0.33542466 0.51288066 Cu 3.71206608 5.65114820 1.89083906 0.53394944 -0.25590317 0.71752289 Cu 7.45992761 3.78470306 0.00625012 -0.19861054 -0.46631437 -0.43127627 Cu 9.34150837 5.63328755 0.01809292 0.48625553 -0.29248570 -0.43193527 Cu 9.39067691 3.73762291 1.89910667 0.26326759 0.14237953 0.29693898 Cu 7.48992105 5.58958688 1.86204665 -0.41442101 0.12135499 0.99584510 Cu 0.00189298 7.52561292 0.00632150 -0.26879908 -0.64142043 -0.37701230 Cu 1.90581949 9.37364910 0.02772205 0.26028837 0.38268196 -0.54934482 Cu 1.86243353 7.50866344 1.88315680 0.84029248 -0.87717155 0.50203884 Cu 0.02604129 9.33672161 1.87158200 -0.63587064 0.57313344 0.36453413 Cu 3.79737938 7.51850543 0.01164560 -0.35502725 -0.69334522 -0.42304023 Cu 5.61058496 9.35933521 0.00062774 0.22424408 0.35983335 -0.21574839 Cu 5.63263453 7.46965801 1.87180092 -0.14965419 -0.34682547 0.75100350 Cu 3.73200066 9.38585243 1.85980127 0.26346362 0.25966747 0.75087669 Cu 7.53192714 7.49026010 0.00318927 -0.66345555 -0.25162487 -0.49692989 Cu 9.38212755 9.40081096 0.02011957 0.18951649 0.14684664 -0.18353963 Cu 9.39561640 7.46680963 1.85236735 0.44416398 -0.34247112 0.78592234 Cu 7.52276903 9.35344409 1.87786530 -0.51428055 0.48943629 0.27569222 Cu 0.02690154 0.00521264 3.76001265 -0.39116142 -0.46936474 -0.02981034 Cu 1.88452054 1.84003319 3.73713214 0.59683879 0.81838355 0.09820610 Cu 1.87532781 0.00365456 5.64474499 0.57135258 -0.43511826 -0.17366106 Cu 0.01890491 1.83811849 5.60917542 -0.47319075 0.68766855 0.05209409 Cu 3.71488357 0.00023017 3.74834869 0.26099598 -0.29468747 0.12189348 Cu 5.63612163 1.85150278 3.73089007 -0.45591912 0.87963147 0.37939222 Cu 5.63541955 0.00818407 5.63806809 -0.13754586 -0.32780675 -0.18856112 Cu 3.74762841 1.90454295 5.61871504 0.14716415 0.46495147 -0.16105363 Cu 7.47981025 0.02102352 3.72017473 -0.23599415 -0.62113576 0.34129506 Cu 9.36023477 1.85869271 3.72844329 0.48439605 0.54771533 0.28058249 Cu 9.35515409 0.02933812 5.65635787 0.28615758 -0.34832427 -0.26711025 Cu 7.47752172 1.87262236 5.58831751 -0.54853286 0.54290818 0.22317562 Cu 0.02424434 3.73355427 3.78254967 -0.44432795 -0.14939363 -0.18349154 Cu 1.85204566 5.59762379 3.73162199 1.06048857 0.25477959 0.32013069 Cu 1.86598406 3.72595674 5.60426342 0.79375698 0.19610785 0.23693591 Cu 0.02478222 5.63589421 5.58902247 -0.34006056 -0.18869566 0.47115513 Cu 3.71095062 3.71231198 3.72722678 0.58594481 0.32260168 0.19120942 Cu 5.64576352 5.63007973 3.76830885 -0.35215552 -0.24347815 -0.25082434 Cu 5.63305715 3.77833802 5.61609676 -0.32626151 -0.27148566 -0.13629645 Cu 3.76706771 5.62252800 5.60192237 -0.17710025 -0.32385569 0.00888439 Cu 7.48427206 3.73896150 3.76848252 -0.56078234 0.12902210 -0.11559729 Cu 9.35535743 5.58880701 3.79032966 0.16200722 0.18601292 -0.13280088 Cu 9.33406866 3.71050055 5.60396000 0.41682424 0.03795520 0.20130532 Cu 7.46791603 5.58558132 5.65187548 -0.21638778 0.23967367 -0.16986237 Cu 0.02757317 7.47684685 3.75556432 -0.53848358 -0.43763341 -0.09889735 Cu 1.84657182 9.37063753 3.71407764 0.79596878 0.38879628 0.32416241 Cu 1.87148796 7.48127739 5.64009699 0.70880517 -0.60287013 -0.12330927 Cu 0.02855361 9.34978977 5.59962754 -0.34782607 0.36953904 0.07610621 Cu 3.77179926 7.51844649 3.79872590 -0.13171992 -0.66083798 -0.29307777 Cu 5.64459328 9.38933137 3.71214785 -0.15406811 0.19340104 0.33694288 Cu 5.64617837 7.47448444 5.63206237 -0.11459346 -0.21336844 -0.11757939 Cu 3.72878524 9.38615945 5.64071420 0.32053024 0.21789063 -0.22113033 Cu 7.48143446 7.49738250 3.71793105 -0.40127698 -0.79663887 0.29437771 Cu 9.35060995 9.35735371 3.77747763 0.37854346 0.30674649 -0.14203378 Cu 9.34377051 7.50055283 5.61829786 0.36035879 -0.70444602 0.12977471 Cu 7.52300067 9.35874188 5.65942207 -0.79329104 0.41574863 -0.20361403 Cu 0.02000919 0.00784955 7.48704436 -0.46556065 -0.49199841 -0.23640972 Cu 1.85886064 1.86527214 7.51231497 0.76143614 0.84966793 -0.80514464 Cu 1.88658047 0.02898295 9.38612248 0.37141176 -0.60225533 0.36614523 Cu 0.02396783 1.84745188 9.37759040 -0.50484753 0.42332371 0.48760149 Cu 3.73472391 0.03264592 7.46612162 0.16014047 -0.49791287 -0.27270291 Cu 5.61669957 1.87105682 7.48345360 0.09707463 0.66405534 -0.40998152 Cu 5.63206032 0.01300536 9.37092494 -0.20771603 -0.26215148 0.22476912 Cu 3.71333952 1.88287960 9.34525326 0.28946775 0.57393475 0.48038052 Cu 7.52126622 0.01972862 7.52189390 -0.68313410 -0.50715465 -0.59525609 Cu 9.37789122 1.85572839 7.52498829 0.48100160 0.67517917 -0.56598481 Cu 9.34865909 0.00213216 9.38571977 0.35846819 -0.33443718 0.30039340 Cu 7.51988350 1.84744125 9.40557084 -0.69376638 0.81485042 0.45326385 Cu 0.01227913 3.71275986 7.51926191 -0.55220457 0.14855332 -0.85622377 Cu 1.88881491 5.57127346 7.52532108 0.51120843 0.19383268 -1.17216966 Cu 1.84034890 3.77778505 9.36361570 0.87847408 -0.27601435 0.56799698 Cu 0.02473088 5.60453037 9.35289567 -0.52793400 0.18935630 0.36850547 Cu 3.78670704 3.73813488 7.48982205 -0.19218526 0.20315410 -0.70237749 Cu 5.65710714 5.64473019 7.50710176 -0.36810114 -0.32166773 -0.70512023 Cu 5.60187499 3.77725614 9.38429130 0.10108819 -0.29583443 0.23658807 Cu 3.76089695 5.62958735 9.33699758 -0.08575267 -0.06483910 0.42312840 Cu 7.48354348 3.70334031 7.49741404 -0.54029774 0.06825662 -0.45451319 Cu 9.37143695 5.58742874 7.51211154 0.31034952 0.07288066 -0.67824886 Cu 9.39470389 3.74384125 9.37533642 0.21763294 -0.03705243 0.30967356 Cu 7.49731382 5.59293640 9.35630141 -0.39699473 0.15479534 0.47661805 Cu 0.01277339 7.52896697 7.51843771 -0.46643773 -0.77540792 -0.76024699 Cu 1.90396712 9.40659996 7.49112243 0.24146009 0.44944468 -0.49993186 Cu 1.86649898 7.50962215 9.33379791 0.53982947 -0.71320309 0.57305054 Cu 0.01509993 9.34117725 9.34649562 -0.25783357 0.42181815 0.34442494 Cu 3.73295304 7.46820536 7.46630237 0.15316950 -0.42851380 -0.59639120 Cu 5.64159687 9.35320254 7.52908593 -0.33531618 0.44483468 -0.71638860 Cu 5.58260886 7.51020590 9.34588747 0.17394241 -0.58892136 0.56946468 Cu 3.70038955 9.33498849 9.37613250 0.22294871 0.41291960 0.30190972 Cu 7.49072799 7.48756518 7.50995499 -0.22138046 -0.51458191 -0.44432668 Cu 9.38222259 9.40254541 7.51398796 0.30423479 0.21377770 -0.29912738 Cu 9.40517475 7.50222262 9.38227972 0.15795241 -0.37727420 0.22030254 Cu 7.48270764 9.38324794 9.38649438 -0.20506151 0.21565067 0.36370057