108 Lattice="10.604297484046986 0.0 0.0 0.0 10.604297484046986 0.0 0.0 0.0 10.604297484046986" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.4916089070206 stress="-0.00966264398517325 -0.0009479785666689057 4.864825874132332e-05 -0.0009479785666689057 -0.009772699909348717 0.0009682481032878335 4.864825874132332e-05 0.0009682481032878335 -0.009388152103469986" free_energy=-310.4916089070206 pbc="F F F" Cu 0.00894541 0.03220098 0.00945729 0.31887044 0.33704837 0.33298219 Cu 1.74411061 1.77307150 0.01636424 0.18789263 0.06881171 -0.60240317 Cu 1.74295114 0.01596767 1.73641639 0.09060522 -0.50519927 0.32559348 Cu 0.00977976 1.78539108 1.73239711 -0.69803212 -0.16179904 0.31780222 Cu 3.55659951 0.06481599 0.05114481 -0.36888199 -0.25744015 -0.30780785 Cu 5.27925319 1.75572657 0.01414845 0.29961653 0.33594163 -0.58955758 Cu 5.27242698 0.02617977 1.73828832 0.45814417 -0.70731673 0.39815204 Cu 3.52668197 1.75588448 1.78854593 -0.13137729 0.32151950 0.05150187 Cu 7.06197286 0.00681173 0.03197185 -0.09233701 0.14711105 0.10105543 Cu 8.81257019 1.74617697 0.01284185 -0.23447692 0.28894033 0.19835550 Cu 8.81712372 0.03422761 1.76636715 -0.09679208 0.08766068 0.06747746 Cu 7.05245477 1.76983343 1.74920392 0.09841960 0.22871887 0.34286963 Cu 0.03845795 3.57007067 0.03089726 -0.07254145 -0.09524587 -0.10011306 Cu 1.80223116 5.27749930 0.03123839 -0.12732505 0.20682176 -0.58879280 Cu 1.74747451 3.50900527 1.80142295 0.44783108 0.22705706 -0.15698360 Cu 0.02903331 5.30701828 1.76582452 -0.59660775 0.14607687 0.08702809 Cu 3.51739834 3.50170638 0.02452942 0.05747406 0.09246921 -0.43395443 Cu 5.31141420 5.27998996 0.00326513 -0.19653851 0.17503377 -0.37364092 Cu 5.28440117 3.53896476 1.79320798 0.08210934 -0.12562035 -0.03392497 Cu 3.51498405 5.31364866 1.78123357 0.24106647 -0.17655153 0.12048879 Cu 7.03911031 3.54370549 0.00497468 0.28298180 -0.17030291 -0.32293821 Cu 8.85378009 5.28504690 0.01342037 -0.31942007 0.01746623 0.32257630 Cu 8.85937995 3.52054150 1.79588265 0.13401729 -0.09703184 -0.14363292 Cu 7.03835375 5.28169906 1.78510259 0.30241383 0.28921405 -0.09233970 Cu 0.01165951 7.06741751 0.01908295 0.20355015 -0.17052665 0.12564420 Cu 1.74273588 8.82364033 0.02855854 0.22793618 -0.18153261 0.09269374 Cu 1.74689995 7.07868301 1.76022019 0.17017342 -0.13525611 0.14628097 Cu 0.02893157 8.81071997 1.77556408 0.09559204 -0.13336752 0.22995180 Cu 3.53727694 7.05108712 0.03236852 -0.04786882 0.11701637 -0.63237721 Cu 5.29450465 8.83421156 0.02902790 0.10154903 -0.23404732 0.17476094 Cu 5.27412125 7.07918760 1.78832191 0.55112327 -0.12136468 -0.13053940 Cu 3.51291207 8.80211558 1.78277643 0.04944403 0.78244059 -0.15148717 Cu 7.07272894 7.03758177 0.00384970 -0.09552952 0.11303713 -0.24063856 Cu 8.86352618 8.80253800 0.01711763 -0.53794414 -0.41448201 0.37866536 Cu 8.83439631 7.09769525 1.74149867 0.22556807 -0.36331286 0.32736945 Cu 7.08661229 8.83686325 1.76616399 -0.12348080 0.22632011 0.11051849 Cu 0.01500219 0.00132701 3.55472757 0.15532528 0.21857023 -0.17455445 Cu 1.74293549 1.77817119 3.52023934 0.28809201 -0.27054216 0.20806478 Cu 1.74249314 0.01923439 5.33689372 0.16155933 -0.41053858 -0.24185752 Cu 0.00822115 1.78971078 5.28897323 -0.54121349 -0.14554190 0.19763024 Cu 3.54922339 0.02735949 3.51848952 -0.38403670 -0.66970941 0.14601718 Cu 5.31450401 1.73308523 3.54648919 0.14311134 0.36713632 -0.14142698 Cu 5.30186957 0.01952433 5.32477791 0.23244168 -0.75416046 -0.03408963 Cu 3.56245041 1.74809217 5.30619464 -0.49498370 0.33622215 -0.27397842 Cu 7.10528021 0.00956883 3.53912411 -0.31263450 -0.54313116 -0.18489145 Cu 8.86520431 1.73322211 3.55006027 0.26462526 0.34452467 -0.26477505 Cu 8.86492036 0.01428548 5.27272629 -0.14934198 -0.03490195 0.23597822 Cu 7.07690382 1.73868349 5.29894078 -0.18969689 0.28558749 0.09187177 Cu 0.02201394 3.54493886 3.51173570 -0.68508646 -0.03915387 0.07825116 Cu 1.78950016 5.33221328 3.52192122 0.13147418 -0.23566001 0.24837164 Cu 1.75680982 3.51361624 5.31076913 0.45361835 0.19311125 -0.34777768 Cu 0.00001801 5.26762433 5.28191798 -0.45401706 0.26815309 0.12669967 Cu 3.54669776 3.50850611 3.51138550 -0.15900297 0.17452242 0.33860934 Cu 5.32336228 5.32631577 3.56542593 -0.34390354 -0.13720234 -0.31364180 Cu 5.29031979 3.54407980 5.30594265 0.25843397 -0.14632871 0.04021217 Cu 3.56796630 5.29898044 5.28647692 -0.49130287 0.11622432 0.10263697 Cu 7.04356258 3.53830310 3.54794614 0.11944898 -0.47973384 -0.22374166 Cu 8.80853423 5.28595275 3.53660918 0.62349234 0.23168839 -0.21329172 Cu 8.81993189 3.49645412 5.29556199 0.54803487 0.08579291 0.09932137 Cu 7.08449731 5.28176705 5.26921824 -0.23058652 0.06443588 0.56643032 Cu 0.02588611 7.05437451 3.56841216 -0.61170048 0.06936049 -0.27300634 Cu 1.80121493 8.81184846 3.56327202 -0.35366304 0.57061376 -0.26052221 Cu 1.74034743 7.06181330 5.32720493 0.45438622 -0.28514430 -0.04429669 Cu 0.02432449 8.81426757 5.29625879 0.07060167 0.05893860 0.11785464 Cu 3.55053461 7.09270416 3.51333735 -0.18673230 -0.41782610 0.34060435 Cu 5.30145295 8.85897296 3.56637588 0.06381583 0.44553015 -0.35172580 Cu 5.28360836 7.08390990 5.32170225 0.25519624 -0.16668743 -0.19026192 Cu 3.50799186 8.82861979 5.27880384 0.18804902 0.62184949 0.30261414 Cu 7.04406146 7.06297645 3.56061646 0.26668315 0.20254303 -0.28702915 Cu 8.84569440 8.80241649 3.57307233 -0.24694978 -0.20354244 -0.11236060 Cu 8.85373880 7.03867191 5.32344315 0.28498443 0.20504259 -0.05545273 Cu 7.03772497 8.86783280 5.28693898 0.29943510 0.22746736 0.19753934 Cu 0.02951540 0.02455858 7.09898906 0.18731980 0.23884977 -0.13366118 Cu 1.79651571 1.78107509 7.07586099 -0.21503643 -0.08076672 0.12877605 Cu 1.76891579 0.00417996 8.87033157 0.19984579 0.27720634 -0.39843037 Cu 0.03321194 1.73893049 8.84319671 0.30726435 0.37396305 -0.31760320 Cu 3.52852264 0.01980115 7.04246611 -0.07560160 -0.63242253 0.32240693 Cu 5.27481410 1.79817373 7.04360121 0.46609842 -0.19062316 0.33198099 Cu 5.26911862 0.01822619 8.85141542 0.28318606 0.16594275 -0.34305886 Cu 3.55877529 1.73209746 8.84761969 -0.30049395 0.30393717 0.35462975 Cu 7.09049429 0.01126484 7.09104142 -0.25183441 -0.39013743 0.01450230 Cu 8.81322878 1.73025931 7.05133905 0.61101720 0.16715414 0.18800697 Cu 8.86619617 0.00033597 8.83334870 -0.52200472 0.52336561 -0.47622746 Cu 7.08996976 1.77276708 8.86303031 -0.11604440 -0.17959684 0.25693773 Cu 0.03011542 3.56151072 7.03803649 -0.61483847 -0.34334868 0.41974577 Cu 1.76118395 5.29901356 7.07437201 0.23359478 0.38598715 -0.19647545 Cu 1.79448654 3.56661500 8.81965720 -0.08297524 -0.37147874 0.55461146 Cu 0.02177656 5.29435726 8.84724425 0.16892823 0.16255580 -0.22955888 Cu 3.50323615 3.53798047 7.03844075 0.34528491 0.13871481 0.30852776 Cu 5.32193482 5.31518108 7.08209615 -0.22147350 -0.28336589 -0.15533874 Cu 5.31154137 3.50054173 8.83508013 -0.22277970 0.17835081 0.37310270 Cu 3.51428486 5.34340759 8.85302574 0.22644009 -0.16245535 0.21986636 Cu 7.08790412 3.50346843 7.09425770 -0.22684575 0.10149537 -0.34501102 Cu 8.82208816 5.28980200 7.06932576 0.43411594 0.06846222 0.09668927 Cu 8.84810640 3.53549970 8.82483490 -0.16423928 -0.08550328 -0.15855380 Cu 7.04278718 5.29215472 8.82092143 0.19779662 0.19526599 0.53722481 Cu 0.00040406 7.08771670 7.06126516 -0.40724785 -0.17747431 0.19407402 Cu 1.80249600 8.80942891 7.08648669 -0.31512317 0.65771775 -0.17740874 Cu 1.78517004 7.09521496 8.82711116 -0.32741541 -0.32113858 0.40530347 Cu 0.02733754 8.86179518 8.85168010 0.52241295 -0.55588651 -0.56254427 Cu 3.55863455 7.10057717 7.03618839 -0.34275837 -0.56479781 0.10177228 Cu 5.32882834 8.80308772 7.09000025 -0.15341408 0.80874334 -0.20636898 Cu 5.27395513 7.10007798 8.81741309 0.33464907 -0.25118882 0.61836166 Cu 3.49465378 8.78686581 8.84200681 0.21160426 0.21498796 0.01683869 Cu 7.06314868 7.03774621 7.02885853 0.20048514 0.24596177 0.24059655 Cu 8.81026450 8.84300217 7.05219108 -0.34560507 -0.34905233 -0.08853499 Cu 8.81003481 7.11449999 8.84679812 -0.40188503 -0.24121202 -0.45820281 Cu 7.04913933 8.85034346 8.81387393 0.06239071 -0.33403056 -0.23763869