108 Lattice="10.603628439936596 0.0 0.0 0.0 10.603628439936596 0.0 0.0 0.0 10.603628439936596" Properties=species:S:1:pos:R:3:forces:R:3 energy=-322.29587388928263 stress="-0.006044960986813714 -0.0006628068482362518 0.0002442941581641958 -0.0006628068482362518 -0.006164611504819503 -0.0005016115862368907 0.0002442941581641958 -0.0005016115862368907 -0.0069309848122849115" free_energy=-322.29587388928263 pbc="F F F" Cu 0.00513164 0.02332237 0.01241521 0.46758553 0.42539389 0.46832250 Cu 1.74510708 1.79026727 0.03309919 0.18051980 -0.35848029 -0.55828308 Cu 1.78869856 0.01045818 1.77774006 -0.38814475 -0.41316712 -0.10612446 Cu 0.01346324 1.77439452 1.77594272 -0.41512007 -0.27968365 -0.04683279 Cu 3.50340588 0.00132221 0.03144317 0.05430297 0.07005441 -0.03975004 Cu 5.26920345 1.78245404 0.02328280 0.06284971 -0.19660156 -0.39226409 Cu 5.30833136 0.00501837 1.76652371 -0.14994600 -0.22775945 0.08953454 Cu 3.50712601 1.75433888 1.74910324 0.26448293 0.20502984 0.20306049 Cu 7.04106317 0.01204590 0.02667846 0.04141607 0.22349903 0.03052497 Cu 8.85750554 1.79552896 0.02571469 -0.22950998 -0.10775952 0.01706113 Cu 8.83174596 0.01283502 1.73311704 -0.17104478 0.15936281 0.15591666 Cu 7.06363993 1.76698185 1.75034933 0.15825588 -0.05652260 0.29967268 Cu 0.04915955 3.51565395 0.01847228 -0.26142960 0.10464616 -0.15622795 Cu 1.75141650 5.33300449 0.01338552 0.25469649 -0.07441138 -0.31867997 Cu 1.74451805 3.51492575 1.73423981 0.37403933 0.30826616 0.41449119 Cu 0.00576911 5.28171744 1.75930569 -0.34884988 0.13081767 0.13970195 Cu 3.54769172 3.54605517 0.03067771 -0.12587988 0.10965081 -0.40811030 Cu 5.31602248 5.33497152 0.00585692 -0.03207569 -0.16074359 -0.15617796 Cu 5.31338045 3.52199621 1.78501822 -0.12131547 0.10138210 0.02341856 Cu 3.55008366 5.29277206 1.79627427 -0.23247161 0.15983955 -0.35852241 Cu 7.04414087 3.50026087 0.02857371 0.12566592 0.24964006 -0.44351108 Cu 8.81843677 5.32657518 0.00808962 -0.17093357 -0.08183213 0.13383460 Cu 8.84745406 3.52044408 1.73916287 0.24308950 0.02541172 0.30185881 Cu 7.08231156 5.27572207 1.79660042 -0.14616318 0.29913553 -0.20432809 Cu 0.00613015 7.08599620 0.03168187 0.05119075 -0.09700110 0.00004066 Cu 1.77998162 8.84732023 0.03234448 0.06479169 -0.18214956 0.04931926 Cu 1.73479788 7.05739758 1.76217423 0.46500327 0.21392928 0.18808689 Cu 0.01180189 8.83767953 1.73549976 0.13181650 -0.06369100 0.28116618 Cu 3.55097925 7.09743009 0.01684586 -0.32439265 -0.28192335 -0.21333304 Cu 5.26650866 8.79457973 0.04927277 0.19144442 0.20123703 -0.18672306 Cu 5.27665727 7.09203701 1.79135309 0.29068126 -0.22590464 -0.02491199 Cu 3.52186266 8.86646603 1.77230507 -0.21224586 0.18455079 0.22756403 Cu 7.05270170 7.05864094 0.01511374 0.24431261 0.16755117 -0.10533490 Cu 8.83016117 8.86316459 0.00202388 -0.54570712 -0.62686954 0.57163295 Cu 8.86015546 7.06047242 1.78994013 -0.00281009 0.24406556 -0.28326360 Cu 7.03844173 8.82735881 1.74373389 0.39203914 0.19981650 0.07964845 Cu 0.00123176 0.02827770 3.54374809 0.19541956 0.02411464 -0.05964306 Cu 1.79340975 1.75103750 3.50997602 -0.25427156 0.13572502 0.23344015 Cu 1.80152421 0.00194831 5.32362720 -0.24214802 -0.27104298 -0.11017368 Cu 0.00213687 1.76617602 5.27729294 -0.08845037 0.12590018 0.19352052 Cu 3.51881272 0.00461396 3.52752394 0.24002979 -0.47727964 -0.02817256 Cu 5.27142163 1.79757928 3.53817872 0.28466579 -0.31585325 -0.19605975 Cu 5.33645923 0.01047852 5.29729869 -0.23475240 -0.41990205 0.03450235 Cu 3.55238196 1.73612161 5.27690187 -0.18158913 0.20384334 0.33280222 Cu 7.06477511 0.00925621 3.50879966 0.05972994 -0.17275105 0.05879021 Cu 8.86358039 1.71784240 3.55562218 0.09558470 0.21618890 -0.28696543 Cu 8.85468927 0.00913179 5.28855573 -0.24349945 0.10959437 0.21227723 Cu 7.05463268 1.75514036 5.33328580 0.32004286 0.11737501 -0.38817710 Cu 0.00299931 3.51066352 3.49868491 -0.26413284 0.16235177 0.19254935 Cu 1.80052442 5.29796005 3.52895626 -0.39566799 0.25709365 -0.09338945 Cu 1.76107341 3.55756823 5.26727391 -0.18904863 -0.42321003 0.44738510 Cu 0.00648665 5.32432194 5.30762138 -0.40055754 -0.18533918 -0.30990298 Cu 3.50752954 3.54920861 3.56478670 0.08746859 -0.29149837 -0.51043655 Cu 5.28179027 5.31381301 3.51792461 0.34698276 -0.08242198 0.12796521 Cu 5.28039469 3.55119189 5.27184743 0.21651858 -0.07620845 0.27839019 Cu 3.51743108 5.27418768 5.31478573 0.00860675 0.47914305 0.22387173 Cu 7.09886982 3.51337529 3.55741847 -0.11222793 -0.10561590 -0.25193122 Cu 8.81609327 5.32178617 3.51174798 0.40879358 -0.11846559 0.15660643 Cu 8.83188856 3.52014468 5.26738634 0.45084693 -0.00363341 0.20960709 Cu 7.06216064 5.27724128 5.31442432 0.18010476 0.22963176 -0.27209610 Cu 0.02892945 7.08876699 3.52877300 -0.50023073 -0.17405466 -0.13333039 Cu 1.74151505 8.84307016 3.56922819 0.27823713 0.38800334 -0.54693811 Cu 1.73585567 7.11748482 5.28226071 0.41376148 -0.38993058 0.22293920 Cu 0.02756491 8.87055351 5.26858036 -0.13606497 -0.08234264 0.31572295 Cu 3.56874068 7.10107045 3.55444306 -0.47151416 -0.11405237 -0.18606247 Cu 5.30796977 8.86901186 3.51984489 0.04417172 0.30488901 0.12946861 Cu 5.30954351 7.03532685 5.30269120 -0.14804852 0.27753956 0.03640530 Cu 3.53050131 8.81564773 5.28893526 0.03636108 0.40429254 0.27820862 Cu 7.07150986 7.10405676 3.56190815 -0.09075120 -0.25438918 -0.29360469 Cu 8.83425390 8.80954888 3.53847919 -0.13289451 0.06189257 -0.10586887 Cu 8.85736648 7.07306667 5.27999525 0.14557232 -0.15509125 0.30926182 Cu 7.05665995 8.81881532 5.31625703 0.01577179 0.37090437 0.06331582 Cu 0.01343292 0.02534123 7.05232834 0.21515878 0.25800981 0.08724241 Cu 1.78075780 1.76109041 7.07510511 -0.40161081 0.16813690 -0.20464657 Cu 1.77913590 0.03397926 8.85254624 -0.16973184 0.13032526 -0.14785702 Cu 0.00489358 1.82491121 8.86053444 0.29244085 -0.09303927 -0.28847961 Cu 3.51458556 0.03383745 7.10247895 0.31720290 -0.42361208 -0.22373997 Cu 5.34050482 1.80103444 7.04569533 -0.27018822 -0.24126071 0.27259189 Cu 5.28968581 0.01707641 8.84064149 0.06624964 0.14724047 -0.19759258 Cu 3.51920867 1.76352046 8.81276241 0.18695713 0.02648072 0.55776495 Cu 7.07132518 0.02837892 7.06525976 0.15195093 -0.42859079 0.18124072 Cu 8.82267547 1.79024993 7.09781251 0.31046747 -0.15993634 -0.12447574 Cu 8.83638572 0.01829637 8.84832514 -0.45764022 0.43003692 -0.47960049 Cu 7.06288815 1.74652339 8.83871246 0.07047646 0.19946712 0.24583536 Cu 0.00818979 3.55162044 7.09194886 -0.22841343 -0.20633297 -0.27876559 Cu 1.72534085 5.33636821 7.04464844 0.49827445 -0.25504264 0.12688408 Cu 1.80224361 3.54974603 8.80234687 -0.19680985 -0.03709064 0.40697660 Cu 0.00753245 5.28170483 8.83511883 0.13375469 0.13876125 -0.03349971 Cu 3.54200876 3.48568395 7.08279995 -0.09963877 0.39198404 -0.35321540 Cu 5.31605433 5.30312122 7.07746142 -0.21103678 -0.25921046 0.04908750 Cu 5.27776679 3.52081442 8.84492376 0.22488924 0.00360776 0.27460351 Cu 3.52151163 5.29835206 8.82014671 0.07518957 0.03159218 0.29641645 Cu 7.09385647 3.55492596 7.05856993 -0.27923979 -0.24629350 0.20002107 Cu 8.80839122 5.27617331 7.08852777 0.42485321 0.29696634 -0.26697724 Cu 8.83529651 3.56086581 8.81993098 -0.13554283 -0.16321547 0.09046749 Cu 7.05131107 5.30149987 8.84679307 -0.00698706 0.09388781 0.29518849 Cu 0.02182945 7.04189452 7.04973613 -0.50570100 0.47570167 0.27667848 Cu 1.74592838 8.81999891 7.09352969 0.07310186 0.28296603 -0.08505098 Cu 1.78332437 7.06790150 8.82184012 -0.19483604 0.10900899 0.36167387 Cu 0.01162919 8.85900984 8.85231901 0.48397806 -0.60254504 -0.52755784 Cu 3.55071124 7.06137666 7.10094419 -0.30694919 0.03684737 -0.49261969 Cu 5.27430425 8.83856231 7.07702458 0.29395887 0.32883693 -0.24723790 Cu 5.29107794 7.09538598 8.80173407 0.16074242 -0.19682512 0.55673735 Cu 3.56579434 8.85270945 8.80011211 -0.26949335 -0.02596173 0.08278708 Cu 7.03821365 7.05000736 7.04629687 0.50865940 0.31838961 0.27815245 Cu 8.84994271 8.85228743 7.03317718 -0.39356028 -0.40102892 0.10905193 Cu 8.85703924 7.04276646 8.81306815 -0.38270971 0.10200408 -0.31615293 Cu 7.05547096 8.83082005 8.85677573 0.09881949 -0.33444571 -0.43868784