108 Lattice="11.244014997908039 0.0 0.0 0.0 11.244014997908039 0.0 0.0 0.0 11.244014997908039" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.99769070999406 stress="-0.0032530544453315442 -0.00014101011602460107 0.00011670084000382601 -0.00014101011602460107 -0.003558961764436851 0.0004136682661694867 0.00011670084000382601 0.0004136682661694867 -0.003627898479376138" free_energy=-226.99769070999406 pbc="F F F" Cu 0.00245336 0.03621415 0.01693852 -0.17553692 -0.33096832 -0.27558486 Cu 1.90012648 1.86428664 0.02841966 0.54471992 0.56837297 -0.54436166 Cu 1.90097638 0.00147705 1.88712374 0.29640688 -0.61862956 0.20347400 Cu 0.01116988 1.85674161 1.84809010 -0.51583812 0.63760321 0.49021522 Cu 3.78534933 0.00762030 0.01604758 -0.18837392 -0.41016199 -0.50152255 Cu 5.59392924 1.90007138 0.01103224 0.28759719 0.29210509 -0.56200443 Cu 5.58666030 0.02686490 1.85131036 0.37062353 -0.68656937 0.68570898 Cu 3.76410822 1.83980959 1.89505087 -0.31040706 1.11532034 0.43648979 Cu 7.51686184 0.00206487 0.02967301 -0.50093264 -0.28915316 -0.36750481 Cu 9.39431880 1.85871304 0.00245548 0.22589632 0.48805634 -0.25578589 Cu 9.39640648 0.00739542 1.87802031 0.34213871 -0.33204346 0.39934383 Cu 7.46175270 1.85979320 1.90561021 -0.27771813 0.70709572 0.40514626 Cu 0.01870247 3.74358911 0.01481623 -0.28372401 -0.07528078 -0.41549177 Cu 1.89385976 5.60620321 0.00778999 0.61875807 0.03428898 -0.49511102 Cu 1.90414746 3.75573677 1.87913020 0.76237807 -0.11574573 0.63813294 Cu 0.02132518 5.58565169 1.84731933 -0.42987631 0.16450066 0.78435404 Cu 3.78536279 3.75563015 0.01083751 -0.32395485 0.02026848 -0.32967650 Cu 5.58018498 5.65664746 0.01186480 0.28621118 -0.15407916 -0.26708189 Cu 5.58806087 3.73502640 1.84487753 0.18085758 0.29298509 0.94816514 Cu 3.75203106 5.63594024 1.89962023 0.18003840 -0.26462275 0.52784551 Cu 7.50251280 3.75599938 0.01667904 -0.62604640 -0.13062028 -0.45339369 Cu 9.34288895 5.62256390 0.02699246 0.53186934 -0.03849644 -0.35999577 Cu 9.33309791 3.73066638 1.90217689 0.53892619 -0.07315809 0.45616461 Cu 7.51377361 5.59872970 1.86093389 -0.93419870 0.21755747 0.74162291 Cu 0.00150912 7.46593010 0.03148801 -0.27955699 -0.19178244 -0.37322603 Cu 1.87066373 9.39683499 0.00378376 0.24135338 0.20044177 -0.33837636 Cu 1.91031582 7.46909984 1.86626009 0.21554904 -0.22005339 0.48991063 Cu 0.00918882 9.36179168 1.90275671 -0.30009432 0.29586476 0.24155375 Cu 3.77582476 7.52775019 0.03600669 -0.29273553 -0.62981761 -0.54097023 Cu 5.59124778 9.36420929 0.01831074 0.23635077 0.44912657 -0.42698086 Cu 5.64013478 7.52434755 1.86801261 -0.05795239 -0.68160957 0.85245285 Cu 3.73121236 9.40305555 1.85612310 0.09062478 0.42285861 0.84267792 Cu 7.51302585 7.49913675 0.02412022 -0.56833287 -0.35380109 -0.52614759 Cu 9.35572076 9.40032632 0.03003098 0.23075456 0.18546322 -0.22411671 Cu 9.36982132 7.51817103 1.89099858 0.35673416 -0.52196227 0.36884839 Cu 7.49457734 9.40459423 1.87672636 -0.48008212 0.36058514 0.59655150 Cu 0.01431759 0.02556696 3.71007112 -0.38545605 -0.40673773 0.22415446 Cu 1.84583172 1.87295873 3.73215335 0.89233968 0.69643570 0.16274383 Cu 1.89269271 0.01230597 5.61566332 0.32821631 -0.37452534 -0.05338084 Cu 0.00488667 1.87889723 5.63379131 -0.33931284 0.41150181 -0.26333034 Cu 3.72815101 0.00855843 3.71432942 0.24610524 -0.36795091 0.51709521 Cu 5.59316398 1.87364679 3.71473795 0.25256861 0.59432383 0.63002671 Cu 5.62518000 0.00709181 5.65316827 -0.20459105 -0.26286356 -0.42234330 Cu 3.72481093 1.89459243 5.62374294 0.30930491 0.49073667 -0.10559794 Cu 7.52479255 0.00138421 3.75827125 -0.85927608 -0.43749754 -0.11472960 Cu 9.38957078 1.84892259 3.77517197 0.22478196 0.85892888 -0.00862163 Cu 9.37164118 0.00083813 5.58721734 0.31125321 -0.43923204 0.25764458 Cu 7.46764831 1.85197233 5.63105640 -0.42083014 1.00334577 -0.35916216 Cu 0.01408079 3.71742833 3.70591628 -0.29690890 0.30635295 0.30759907 Cu 1.89911453 5.64630165 3.72576023 0.53932728 -0.39596950 0.33473432 Cu 1.89698574 3.77203874 5.59006336 0.37334018 0.05100923 -0.07122314 Cu 0.00230086 5.64381811 5.62090392 -0.30142311 -0.42289588 -0.15116464 Cu 3.77231139 3.70959488 3.78033107 -0.03808312 0.44026790 -0.23187441 Cu 5.62417838 5.63230253 3.70210497 -0.21616150 -0.20933690 0.30758335 Cu 5.63498261 3.77759245 5.64449956 -0.13939794 -0.18743188 -0.26426362 Cu 3.78429058 5.61487883 5.63132827 -0.26425187 0.15818941 -0.32222343 Cu 7.47478818 3.78266173 3.74636033 -0.55054784 -0.29912598 0.23485757 Cu 9.38009791 5.65725827 3.73719154 0.28232438 -0.17449023 0.10269012 Cu 9.39432256 3.78744890 5.63193562 0.12935207 -0.39545889 -0.35691078 Cu 7.52581681 5.60208891 5.63424156 -1.01040186 0.05127123 -0.20034005 Cu 0.03659310 7.49697658 3.76171589 -0.53861945 -0.62050649 -0.19774036 Cu 1.85157237 9.36249565 3.77764910 0.83195491 0.42136707 -0.09967055 Cu 1.84494648 7.46825517 5.64271203 1.16813271 -0.49694997 -0.02230535 Cu 0.02064011 9.40289933 5.59607835 -0.44201405 0.21919043 0.17673520 Cu 3.72435483 7.52409513 3.71928816 0.33876393 -0.66086148 0.38414209 Cu 5.65160803 9.36401839 3.78111737 -0.29777098 0.34810271 -0.23816418 Cu 5.63144024 7.47976476 5.59024269 -0.17158051 -0.68070531 0.13003377 Cu 3.77763914 9.34738345 5.64032147 -0.32993191 0.20928191 -0.20219387 Cu 7.46331915 7.46254017 3.78267403 -0.25565614 -0.43971571 -0.44648394 Cu 9.40503222 9.35714250 3.72023836 0.17502931 0.30257271 0.11064383 Cu 9.33346187 7.52166669 5.61878045 0.59672312 -0.49792479 -0.00482777 Cu 7.52120410 9.34823161 5.59519528 -0.54056420 0.56208310 0.24125559 Cu 0.01493252 0.02574935 7.50585747 -0.33514734 -0.40257668 -0.33640048 Cu 1.86287124 1.90097697 7.49947148 0.76071379 0.31202884 -0.64059720 Cu 1.88017037 0.00690063 9.39713578 0.43311493 -0.29849679 0.23408930 Cu 0.02606781 1.88914461 9.38948532 -0.42439386 0.34867168 0.39378353 Cu 3.75749497 0.03419327 7.48288748 -0.06869528 -0.40147031 -0.23173465 Cu 5.62208755 1.88616364 7.49812647 -0.22140137 0.67388689 -0.62638970 Cu 5.65859448 0.02495666 9.37082984 -0.24981039 -0.34790798 0.33799835 Cu 3.75849912 1.88952590 9.37199787 0.05629505 0.35243763 0.39107194 Cu 7.48820347 0.02932469 7.51199678 -0.27872014 -0.64720426 -0.61977896 Cu 9.37821615 1.86492088 7.46035425 0.48215239 0.48771561 -0.41557876 Cu 9.34493542 0.01985136 9.37054704 0.31311517 -0.26162191 0.20823273 Cu 7.51685687 1.86454865 9.36949245 -0.49894706 0.60890094 0.53609921 Cu 0.01441555 3.71873710 7.46803106 -0.49851077 0.30790035 -0.32668234 Cu 1.87495404 5.57259441 7.50967378 0.71420289 0.34798986 -0.79160179 Cu 1.89314777 3.74196313 9.34935895 0.33905245 0.15342490 0.66428133 Cu 0.02965010 5.65033193 9.34923250 -0.35409806 -0.24722556 0.37701764 Cu 3.72020895 3.74672747 7.50491631 0.50256581 0.04293044 -0.78159927 Cu 5.60931284 5.65705022 7.46185176 0.21172970 -0.37538655 -0.31493530 Cu 5.65157205 3.74090417 9.36020622 -0.16701630 0.18876430 0.22991942 Cu 3.78030837 5.62319209 9.34540104 -0.01955484 -0.16613576 0.41437098 Cu 7.48272585 3.72211113 7.49859559 -0.41101761 0.33002715 -0.58207914 Cu 9.36908646 5.62087818 7.42543548 0.36549017 0.03679216 0.21769090 Cu 9.36885065 3.72564436 9.35827504 0.25056304 0.23287519 0.16240029 Cu 7.48838231 5.65359335 9.38283826 -0.33529199 -0.18918779 0.16030103 Cu 0.02595396 7.48640258 7.50324164 -0.56403872 -0.20846819 -0.39117745 Cu 1.85155391 9.36497827 7.50109327 0.61070543 0.47656807 -0.54032958 Cu 1.90593208 7.50574132 9.38637885 0.33444798 -0.54393015 0.42186293 Cu 0.02556155 9.40113294 9.40096064 -0.15275895 0.06093580 0.13210271 Cu 3.75779608 7.49349688 7.52019291 -0.31609238 -0.63943089 -0.96782703 Cu 5.58730344 9.34600902 7.47428890 0.29368478 0.49908364 -0.43482820 Cu 5.59973436 7.52125888 9.34294486 0.08677068 -0.49452233 0.59894384 Cu 3.72437140 9.38598080 9.37504463 0.09880588 0.39556856 0.27464027 Cu 7.49016410 7.49432230 7.50596941 -0.55089554 -0.49011036 -0.76775687 Cu 9.39221648 9.40270765 7.51385526 0.28357236 0.33605340 -0.55054192 Cu 9.38318421 7.53001087 9.33712933 0.39676142 -0.58038356 0.34607352 Cu 7.49948451 9.37314677 9.34093592 -0.47651838 0.41278355 0.38224529