108 Lattice="10.671966081218983 0.0 0.0 0.0 10.671966081218983 0.0 0.0 0.0 10.671966081218983" Properties=species:S:1:pos:R:3:forces:R:3 energy=-379.0500589825399 stress="-0.002921335622450043 -0.00022850085043829354 2.1838729027774347e-05 -0.00022850085043829354 -0.0035312687009137972 0.0003190470361502493 2.1838729027774347e-05 0.0003190470361502493 -0.003380750350457705" free_energy=-379.0500589825399 pbc="F F F" Cu 0.01253907 0.00196464 0.01493224 0.18448399 0.19173681 0.19506661 Cu 1.81044880 1.74357592 0.01382285 -0.10162171 0.10758751 -0.15211109 Cu 1.75133273 0.01051476 1.83042347 0.19675795 -0.42454551 -0.31890292 Cu 0.02304292 1.75381904 1.80875686 -0.31971765 0.17218032 -0.13413283 Cu 3.56086198 0.00154412 0.01985948 0.14941247 0.21276534 0.31268140 Cu 5.34334515 1.81367097 0.02297684 -0.28437077 -0.23081641 -0.25900930 Cu 5.36922343 0.03017954 1.79203671 -0.20361805 -0.21067096 -0.13287405 Cu 3.55051002 1.81359402 1.78914237 0.09288128 -0.60580146 -0.32967765 Cu 7.10796268 0.03083083 0.01006524 -0.05993510 0.16257479 0.12617763 Cu 8.92783576 1.74728081 0.02073029 -0.18837037 0.16763064 0.10431562 Cu 8.89200477 0.01589359 1.76423534 -0.20479872 0.14481046 0.13928094 Cu 7.12608258 1.81079690 1.75604207 0.21091809 -0.25088282 0.14938956 Cu 0.01512680 3.53647809 0.02560597 0.21411611 0.03881107 0.26253135 Cu 1.75010943 5.32637511 0.01750698 0.04684786 -0.09674025 -0.11813637 Cu 1.79132880 3.54867212 1.79700279 -0.34392402 0.09945923 -0.34883212 Cu 0.00332001 5.35414204 1.80489616 -0.24160458 -0.22835122 -0.19782740 Cu 3.54636150 3.54686014 0.03123194 0.07466044 0.25582031 -0.30986068 Cu 5.36224243 5.33972770 0.03322279 -0.17852857 -0.10926383 -0.29202184 Cu 5.30999435 3.55659301 1.76992951 0.24733112 0.08440323 -0.00583297 Cu 3.56660024 5.36761821 1.78386649 -0.07592106 -0.16030388 -0.24499257 Cu 7.08585022 3.52875384 0.01314135 0.25628063 0.24641208 -0.26370666 Cu 8.91402451 5.30591525 0.02806657 -0.28496328 -0.01775268 0.14581444 Cu 8.92816434 3.55163035 1.75460163 0.00614667 0.06907084 0.06658663 Cu 7.11787869 5.33072173 1.78159987 0.26390129 0.06424536 -0.19071731 Cu 0.00243972 7.10863075 0.02327903 0.11644809 -0.01833622 0.12601661 Cu 1.75190889 8.91080220 0.01232806 0.14580211 -0.20473501 0.10709638 Cu 1.74071124 7.12722378 1.78883690 0.04639547 0.27799831 -0.28164247 Cu 0.01103698 8.92032315 1.75411744 0.16641691 -0.19249888 0.20182833 Cu 3.53538109 7.08845993 0.01177801 0.04906083 0.15576985 -0.22958912 Cu 5.32241519 8.92455227 0.02597007 -0.09161118 -0.22756800 0.25052607 Cu 5.30595211 7.14242085 1.75708561 0.16590491 0.14350362 -0.04417094 Cu 3.53281799 8.89038864 1.78374640 -0.04119927 0.15149565 -0.01920856 Cu 7.10744678 7.14399334 0.00378596 0.06327123 -0.01075154 -0.08118986 Cu 8.91682173 8.92659169 0.01534822 -0.19288541 -0.15143051 0.18465725 Cu 8.91811437 7.13354479 1.76014803 0.07943319 -0.09303211 0.09364858 Cu 7.14780740 8.92268845 1.82099553 -0.09027200 0.21931312 -0.21661253 Cu 0.02379326 0.01879655 3.57483783 -0.01354178 -0.03506568 0.11529688 Cu 1.77638568 1.71973383 3.54002933 -0.11665480 0.35772048 0.34626587 Cu 1.78121166 0.01095634 5.32293218 0.07482076 -0.17948330 0.02959712 Cu 0.00697796 1.75201979 5.31553655 -0.08923026 0.23346359 0.04654349 Cu 3.55218327 0.00065778 3.53481281 0.14255817 -0.29134052 0.14896064 Cu 5.30463823 1.73894933 3.56486845 0.30999233 0.13470735 -0.08563149 Cu 5.35657815 0.01239146 5.34995331 -0.18874880 -0.27028242 -0.15343247 Cu 3.58457095 1.78436703 5.31266202 -0.29660802 -0.28169726 0.16020336 Cu 7.11157037 0.02522014 3.54813586 0.19168696 -0.16852126 0.11665943 Cu 8.91838175 1.80575803 3.54235482 0.06205763 -0.03992379 0.12956075 Cu 8.92771725 0.02772813 5.35679054 -0.28334229 0.27080691 -0.09670990 Cu 7.10811393 1.78739252 5.30608508 0.32888191 -0.17387899 0.11712349 Cu 0.02219448 3.57724211 3.52876011 -0.22831968 -0.06080968 0.21608547 Cu 1.77200106 5.35392397 3.53147062 -0.11169706 -0.17180368 0.19637126 Cu 1.78309639 3.58208333 5.30567321 -0.26108603 -0.21363887 0.14274043 Cu 0.02092442 5.35242368 5.33812396 -0.18854382 -0.11849881 -0.08201452 Cu 3.56276105 3.54387720 3.52019088 -0.04974430 0.14742393 0.30578894 Cu 5.35440999 5.31413093 3.56936284 -0.15581697 0.21265780 -0.14544837 Cu 5.30358156 3.55746285 5.37077878 0.19102055 -0.09475755 -0.22761233 Cu 3.57071404 5.31247740 5.31759679 -0.17254802 0.08780346 0.21468426 Cu 7.12650378 3.58609333 3.59932368 0.16653177 -0.27043897 -0.25538416 Cu 8.89176173 5.30619047 3.54492874 0.17106655 0.10361070 0.13428518 Cu 8.91814921 3.55672418 5.38430826 0.02629926 0.07969354 -0.14659675 Cu 7.09236979 5.35846999 5.31596653 0.45764367 -0.04282076 0.15853030 Cu 0.00910459 7.10093468 3.54259612 -0.25079023 0.16058272 0.17804940 Cu 1.78054995 8.88731319 3.61954047 -0.04078672 0.20751104 -0.17454922 Cu 1.79808217 7.10306071 5.33069828 -0.28891011 0.14990979 0.20468532 Cu 0.00939961 8.86068004 5.32747731 0.11716057 -0.23078937 0.06273684 Cu 3.53115386 7.10846915 3.56940538 0.23001161 0.26030589 -0.13288351 Cu 5.30475870 8.91307300 3.53087176 -0.04202034 0.10456387 0.13523355 Cu 5.29213180 7.11442847 5.34846533 0.23653292 0.15237955 -0.18101625 Cu 3.57975528 8.88468517 5.31568450 -0.00942770 0.26915478 0.07066021 Cu 7.10243997 7.17564063 3.51753642 0.26611347 -0.20276795 0.25193930 Cu 8.90911120 8.91250318 3.57821864 -0.16882177 -0.19647234 0.08509917 Cu 8.90446234 7.13718451 5.34422392 0.06179247 -0.11821300 -0.18134108 Cu 7.09618428 8.86917621 5.32813046 0.03194454 0.25168346 -0.12239126 Cu 0.02085019 0.00845929 7.11641432 0.18390469 0.16568993 -0.10861474 Cu 1.78697578 1.78586521 7.14889633 -0.26970414 -0.28273646 -0.23723878 Cu 1.75915440 0.02886118 8.92445263 0.12623850 0.13507298 -0.17799815 Cu 0.02335134 1.79297259 8.88113812 0.06441431 0.03914123 -0.06567081 Cu 3.55317975 0.02201888 7.10839134 0.05778747 -0.23292564 0.09912606 Cu 5.33308024 1.75302908 7.14183307 -0.02590481 -0.16243871 0.11099286 Cu 5.34577050 0.00070749 8.92605221 -0.05878830 0.25270741 -0.27773997 Cu 3.55270079 1.79461715 8.91086347 0.09185248 -0.22750207 0.21302605 Cu 7.11991983 0.03510018 7.09811019 -0.01058342 -0.33542539 0.02627253 Cu 8.87758628 1.78085286 7.14622565 0.28190318 0.05116469 -0.19440754 Cu 8.88096720 0.01679377 8.86657040 -0.12557105 0.09258177 -0.15604767 Cu 7.14796644 1.76262872 8.89563185 -0.25201172 0.07110270 0.28691177 Cu 0.00082014 3.56240379 7.14304952 -0.14082156 0.10223014 -0.16979679 Cu 1.76917569 5.32121765 7.17350620 0.01779911 0.08567334 -0.20416982 Cu 1.79777991 3.54377716 8.86447582 -0.09979084 0.15176848 0.49121417 Cu 0.03254607 5.36819384 8.91461925 0.16740542 -0.14436561 -0.09067141 Cu 3.54396178 3.52234404 7.13395332 0.06153397 0.29735628 0.02642520 Cu 5.34748452 5.30584655 7.12584310 -0.25326093 0.20407196 0.19879750 Cu 5.30517368 3.53458033 8.86496673 0.05503573 0.18652204 0.39107936 Cu 3.54059363 5.36131571 8.91686516 0.12763805 -0.18180340 0.09000428 Cu 7.08937305 3.52628376 7.12837722 0.37946452 0.21636863 0.07742972 Cu 8.90946727 5.34818469 7.12029212 0.03369266 -0.11748177 -0.03774789 Cu 8.87401437 3.54752217 8.88687379 -0.13401332 0.13439169 -0.19856846 Cu 7.12235687 5.33770981 8.86223828 -0.02066013 -0.06585280 0.25687023 Cu 0.03334644 7.08721918 7.14350940 -0.24789553 0.06415193 -0.16376199 Cu 1.77173967 8.89656962 7.12417348 0.09890008 0.19828399 -0.19307766 Cu 1.78260156 7.15187588 8.90767904 0.11103612 -0.11411398 0.20931651 Cu 0.02914842 8.86878983 8.86191089 0.07999828 -0.12783330 -0.10762936 Cu 3.55081128 7.14691860 7.13120255 -0.04479939 -0.07389985 0.08616496 Cu 5.34899330 8.87317565 7.09954586 -0.11147762 0.29523474 0.10029663 Cu 5.30217719 7.12074173 8.86982835 0.06877008 -0.04165133 0.22668062 Cu 3.55505838 8.88898013 8.90872700 0.10279344 -0.13094368 -0.20271490 Cu 7.11527439 7.11047853 7.10007247 0.16691151 0.12964121 0.25953221 Cu 8.86938173 8.86556065 7.14233104 -0.16971610 -0.07773364 -0.15022229 Cu 8.91967001 7.11887478 8.87915778 -0.21908419 -0.10667105 -0.13646064 Cu 7.09503984 8.88015512 8.89327543 -0.07560190 -0.20465836 -0.15425931