108 Lattice="10.633392066681157 0.0 0.0 0.0 10.633392066681157 0.0 0.0 0.0 10.633392066681157" Properties=species:S:1:pos:R:3:forces:R:3 energy=-314.16173535286003 stress="-0.0047356494600410476 -0.000357561450197052 -0.00012942743634592523 -0.000357561450197052 -0.004756847454846293 4.4818431697995565e-05 -0.00012942743634592523 4.4818431697995565e-05 -0.0045901925360720165" free_energy=-314.16173535286003 pbc="F F F" Cu 0.00695025 0.02171976 0.00775716 0.47715326 0.38580753 0.50062649 Cu 1.73790040 1.72625802 0.00009038 0.09470709 0.16869586 -0.29707321 Cu 1.80566101 0.00069603 1.80600292 -0.17996081 -0.33141243 -0.13071185 Cu 0.00925807 1.76853324 1.74410775 -0.35869063 -0.07866974 0.10196741 Cu 3.50367933 0.01779124 0.00372553 0.04824411 0.18500600 0.18798152 Cu 5.33711894 1.75172674 0.01525057 -0.14852908 0.27801214 -0.36171856 Cu 5.32150049 0.03128918 1.73705578 -0.07258228 -0.48423625 0.23302035 Cu 3.54310612 1.80672930 1.79717766 0.11582381 -0.14404227 -0.29198467 Cu 7.06937430 0.03149877 0.00492747 0.14809146 0.14249782 0.19164639 Cu 8.85666865 1.75506340 0.01047687 -0.30557712 0.09949522 0.26048076 Cu 8.88950016 0.02958121 1.73304938 -0.32243213 0.25359783 0.11302459 Cu 7.07420394 1.73945272 1.80476307 0.18891051 0.28543792 -0.09369956 Cu 0.00134789 3.56106715 0.00948651 0.24125021 -0.08176764 0.11875479 Cu 1.78950812 5.34497755 0.00022486 -0.15527100 -0.14977334 -0.39713641 Cu 1.77654104 3.52714160 1.77376155 -0.09087253 0.07254900 -0.23882280 Cu 0.01516552 5.30341657 1.75472647 -0.34256132 0.14540530 0.12981612 Cu 3.50907513 3.56503249 0.01120453 0.10710611 -0.26507418 -0.37273642 Cu 5.28808936 5.34356870 0.02755659 0.30374893 -0.07640487 -0.46203924 Cu 5.33820707 3.57945585 1.79767862 -0.07289781 -0.35512939 -0.08508217 Cu 3.56199174 5.31534747 1.77272415 -0.08229488 -0.04505237 0.18589562 Cu 7.10786366 3.54978545 0.02320854 -0.12702600 -0.14580272 -0.37618530 Cu 8.83006265 5.32354488 0.00771545 -0.03867767 0.05089908 0.11634763 Cu 8.85544072 3.55513645 1.75445310 0.36420060 -0.27448340 0.03276822 Cu 7.10349637 5.28543122 1.80880527 -0.16925503 0.30332171 -0.19501003 Cu 0.01474684 7.05720606 0.03001511 0.17705631 0.09597821 0.21526160 Cu 1.74262542 8.83861184 0.00920223 0.15177681 -0.25332320 0.26347350 Cu 1.80162180 7.07286969 1.75149619 -0.32884485 0.25444338 0.20877035 Cu 0.02148459 8.89232985 1.74470570 0.34378454 -0.40475770 0.12419064 Cu 3.53149063 7.06944379 0.03295102 0.10245404 0.35044776 -0.46841843 Cu 5.28548084 8.89582918 0.00897920 0.12770118 -0.40136673 0.27177318 Cu 5.32750380 7.07062405 1.79756103 0.04345076 0.06884883 -0.17965905 Cu 3.56168440 8.86822519 1.79518492 -0.12107368 0.36083256 -0.23492841 Cu 7.11807017 7.07833774 0.00389386 -0.12185811 0.21241583 -0.20680752 Cu 8.87628649 8.87864774 0.03471764 -0.59092379 -0.59420082 0.59196576 Cu 8.84551821 7.06879656 1.79717804 0.37662042 0.21640672 -0.15853638 Cu 7.06087431 8.83454542 1.79197295 0.15149998 0.44335800 -0.24172367 Cu 0.02757198 0.02709258 3.57224441 0.14756363 0.10627595 -0.15901592 Cu 1.79366577 1.78849043 3.51732743 -0.18500517 -0.18830981 0.14264639 Cu 1.74812579 0.02433439 5.37059843 0.19248318 -0.33656592 -0.18256024 Cu 0.01117224 1.77612311 5.28578840 -0.37080308 0.07017095 0.27606140 Cu 3.56738927 0.02781595 3.56800898 -0.14080525 -0.52722684 -0.08900971 Cu 5.30309033 1.77040203 3.57692412 0.17249987 0.10464800 -0.35093554 Cu 5.35210381 0.00507198 5.30841080 -0.11679765 -0.46690894 0.25679335 Cu 3.54825421 1.78125570 5.28806506 -0.05300200 0.02084972 0.39107486 Cu 7.14946860 0.02300119 3.56153232 -0.13973715 -0.46364076 -0.24365533 Cu 8.87877704 1.78839795 3.54611510 0.31926668 -0.08931467 -0.17797742 Cu 8.84109701 0.03329265 5.33091514 0.03854540 0.07744619 0.02935585 Cu 7.05359047 1.74991343 5.32315188 0.25815599 0.24164202 0.06993267 Cu 0.03338048 3.55411788 3.53699271 -0.48988009 -0.13480329 -0.15221999 Cu 1.80481554 5.30051182 3.51578525 -0.09585976 0.22395234 0.13052212 Cu 1.75741849 3.52059601 5.32348158 0.18435726 0.07568750 0.10704998 Cu 0.02372431 5.28262419 5.29352112 -0.44247424 0.17155395 -0.00429060 Cu 3.50975100 3.54336372 3.53358550 0.26946462 0.09156572 0.10196324 Cu 5.33704066 5.30426122 3.57575006 -0.19847072 0.25439165 -0.11793052 Cu 5.33888765 3.54972589 5.29482960 -0.14545481 -0.06730027 0.35055423 Cu 3.56483488 5.28581950 5.34825243 -0.25374798 0.26618268 -0.12513406 Cu 7.07180469 3.54648027 3.57797680 0.10331862 -0.27423130 -0.26247098 Cu 8.84558358 5.28990294 3.51991783 0.47134771 0.19393370 0.16346269 Cu 8.85025200 3.51259894 5.27019849 0.40100138 0.07902989 0.20606891 Cu 7.10183726 5.33651721 5.30940969 0.02629558 0.03864863 0.14371421 Cu 0.02401017 7.13548201 3.55641615 -0.29760431 -0.06259008 -0.21435049 Cu 1.79749641 8.88038519 3.55182373 -0.22777994 0.32608286 -0.10190420 Cu 1.75496164 7.08287942 5.29537057 0.23640400 0.06261265 0.13373617 Cu 0.00052339 8.88913486 5.36335567 0.27249805 -0.23688486 -0.00798623 Cu 3.52549423 7.09555963 3.51453818 0.09124744 -0.31284458 0.24320343 Cu 5.29201048 8.83236965 3.57165449 0.16672314 0.50651240 -0.15396491 Cu 5.35956193 7.08279187 5.33730905 -0.25024779 -0.09436267 -0.10538357 Cu 3.57279247 8.82847425 5.29150715 -0.27987200 0.38508360 0.24753834 Cu 7.08036927 7.12041310 3.52679729 0.10033193 -0.23137309 0.11398060 Cu 8.85812391 8.86731320 3.55935878 -0.17183721 -0.14850795 -0.12073903 Cu 8.83702332 7.11521705 5.31279089 0.35655438 -0.09414229 0.06913329 Cu 7.07679156 8.86566677 5.31380759 0.13128977 0.43482033 0.07546683 Cu 0.02672138 0.01323865 7.06588473 0.20399110 0.36647944 0.18626915 Cu 1.80226340 1.78902485 7.11565133 -0.31761525 -0.13553161 0.01315597 Cu 1.74457295 0.02747576 8.89657306 0.05725468 0.34607220 -0.35757701 Cu 0.00437924 1.80111137 8.88633423 0.31544156 -0.05041333 -0.38229228 Cu 3.52670889 0.01164302 7.12144729 0.06925937 -0.24358308 -0.03934583 Cu 5.33300586 1.79900446 7.09420688 -0.10111991 -0.09951239 0.01613670 Cu 5.28603292 0.02968236 8.87759608 0.16000739 0.18957173 -0.26033885 Cu 3.55018466 1.80414096 8.88226096 -0.12955411 -0.16997014 0.37284402 Cu 7.13526846 0.03021496 7.09001965 -0.11062784 -0.36568334 0.25422280 Cu 8.89464940 1.80220346 7.05953739 0.22933479 -0.07314915 0.30994993 Cu 8.85170178 0.01102677 8.89657535 -0.50195974 0.57887385 -0.59055793 Cu 7.09742566 1.76182913 8.85857665 0.11711325 0.09027789 0.26260103 Cu 0.01141988 3.57531395 7.12340021 -0.42735745 -0.31806268 -0.17998959 Cu 1.74356365 5.34742517 7.08714354 0.36400963 -0.15178784 -0.13144112 Cu 1.75348529 3.57190199 8.84920854 0.05853187 -0.17840011 0.49784141 Cu 0.01675081 5.29177784 8.85267043 0.02012893 0.22165138 0.00473674 Cu 3.51921614 3.52615851 7.10108010 0.15876975 0.11155775 -0.20411868 Cu 5.31871381 5.34151154 7.06758528 0.05259449 -0.24174855 0.11198288 Cu 5.28398591 3.55744425 8.88297100 0.29575812 -0.05848302 0.22154270 Cu 3.53404015 5.29397391 8.85766112 -0.03215439 0.20166697 0.31304784 Cu 7.11784780 3.54940648 7.08322426 -0.18169686 -0.13520407 0.06288204 Cu 8.85200952 5.28486246 7.06727427 0.37071457 0.23388921 0.07716114 Cu 8.88468724 3.57179471 8.88610194 -0.28175177 -0.15003148 -0.27509814 Cu 7.08293451 5.30317429 8.83650455 0.09755623 0.10772894 0.36923969 Cu 0.03101819 7.05472509 7.06419545 -0.50333804 0.32303535 0.16442526 Cu 1.76894831 8.87733576 7.11880607 -0.08043084 0.24272260 -0.12614071 Cu 1.77274916 7.08394191 8.83802336 -0.17926470 0.08617913 0.46819258 Cu 0.00429164 8.88112610 8.87769203 0.56876226 -0.61204198 -0.61088155 Cu 3.53974145 7.10600606 7.10275859 -0.08229560 -0.10673889 -0.20009024 Cu 5.30683920 8.87494048 7.06148470 0.03342127 0.37468035 0.26782679 Cu 5.31338643 7.08561503 8.84365528 0.04320328 0.12425469 0.41633275 Cu 3.50537272 8.83202716 8.86827514 0.09248750 -0.07741255 -0.12645322 Cu 7.06963564 7.12099603 7.11522056 0.28263291 -0.06523632 -0.01770363 Cu 8.86203989 8.85748503 7.07494533 -0.31446725 -0.23520217 0.02073992 Cu 8.85619204 7.10875286 8.83170508 -0.32217160 -0.08843779 -0.29934844 Cu 7.09178058 8.88442892 8.85920491 -0.03938853 -0.33205407 -0.34797525