108 Lattice="10.63960346989064 0.0 0.0 0.0 10.63960346989064 0.0 0.0 0.0 10.63960346989064" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.5501843847914 stress="-0.009683473989873074 -4.132736900970463e-05 0.0004550648168952714 -4.132736900970463e-05 -0.00955153878724934 0.00035423074176294276 0.0004550648168952714 0.00035423074176294276 -0.009350586528984076" free_energy=-329.5501843847914 pbc="F F F" Cu 0.02215185 0.03307951 0.02040365 0.37552461 0.35835166 0.39887554 Cu 1.76870941 1.74187329 0.01227344 -0.05183879 0.15700410 -0.24112241 Cu 1.79849476 0.02068904 1.76639232 -0.09939169 -0.38472913 -0.02062883 Cu 0.02091037 1.75410253 1.80199777 -0.27012142 0.13905749 -0.14622898 Cu 3.52592232 0.03409855 0.00910400 0.13958417 0.08941602 0.09365832 Cu 5.35308206 1.76885069 0.03173641 -0.13850540 -0.09137585 -0.50397271 Cu 5.30232814 0.02625110 1.79597351 0.13195300 -0.42247151 -0.10908992 Cu 3.57182831 1.79946012 1.78076320 -0.25259128 -0.21876496 -0.11312944 Cu 7.06109051 0.03307648 0.03158924 0.07817640 0.12411524 0.21395737 Cu 8.83493458 1.78995534 0.03518854 -0.12635107 -0.06510677 0.11102197 Cu 8.84394891 0.01199629 1.77530094 -0.21128957 0.26601099 0.09719568 Cu 7.09132575 1.80794934 1.80432994 0.13619556 -0.48429181 -0.18602068 Cu 0.03510873 3.53380271 0.02704875 0.12160409 -0.03098731 0.12377042 Cu 1.79742376 5.33639747 0.01684675 -0.10041424 -0.16183271 -0.45459810 Cu 1.79845127 3.56106349 1.77064340 -0.16397180 -0.11214819 -0.05091089 Cu 0.02465754 5.34406558 1.74061086 -0.36034226 -0.16935905 0.10437839 Cu 3.56736064 3.49202831 0.00746190 -0.18120203 0.24115737 -0.49546848 Cu 5.30850586 5.31189979 0.01439452 0.15715808 0.05569253 -0.48756280 Cu 5.30068602 3.54440045 1.74901122 0.07931679 0.04073406 0.10470710 Cu 3.57936941 5.33912198 1.75321571 -0.21255262 -0.24122557 0.09646321 Cu 7.09084157 3.52607975 0.03315707 0.08387565 0.18956297 -0.46276074 Cu 8.84965552 5.34745373 0.03000336 -0.14360963 -0.10816773 0.14509426 Cu 8.84865974 3.53044326 1.78656681 0.48454250 0.10448620 -0.09521878 Cu 7.07162915 5.29062952 1.79951199 0.19614883 0.28139912 -0.36002707 Cu 0.01153358 7.11404151 0.02877456 0.15692371 -0.05977673 0.11467481 Cu 1.75890679 8.85820925 0.03468461 0.12590783 -0.16075481 0.11997319 Cu 1.77652328 7.07539920 1.74778844 -0.08811659 0.37746600 0.13902534 Cu 0.00155132 8.89996912 1.74633817 0.32636194 -0.38669129 0.21365458 Cu 3.55003130 7.06041837 0.03499506 0.07894011 0.43965600 -0.49805845 Cu 5.33585352 8.87273083 0.00951085 0.02434827 -0.25453229 0.27391606 Cu 5.29053999 7.10677570 1.79072781 0.32574800 0.12074477 -0.28497586 Cu 3.52093495 8.89708240 1.78265552 0.16756043 0.21058545 -0.15371355 Cu 7.08728584 7.07192043 0.02904575 0.07527905 0.20424298 -0.16657842 Cu 8.83874962 8.88066439 0.03115163 -0.46436959 -0.53109661 0.46509703 Cu 8.88821803 7.07996472 1.79953325 0.14239490 0.12393439 -0.15374561 Cu 7.12762496 8.85281909 1.80372678 -0.08870579 0.23136045 -0.22867250 Cu 0.03459545 0.01871291 3.53208332 0.07428382 0.06318902 0.08351318 Cu 1.79027330 1.73868661 3.53318775 -0.15324858 0.38694845 0.17116390 Cu 1.78907251 0.02498743 5.31373202 -0.14744847 -0.31632076 0.09103603 Cu 0.01454593 1.79503004 5.33481312 -0.24249232 -0.06094491 -0.09602637 Cu 3.56171450 0.02243107 3.52720966 -0.10885840 -0.51355269 0.07814292 Cu 5.29697662 1.79989046 3.55906574 0.20493016 -0.19314438 -0.05828307 Cu 5.28879920 0.02553089 5.29274455 0.21666790 -0.52263430 0.08903963 Cu 3.57104889 1.76846908 5.31179381 -0.22653201 0.16199317 0.17415960 Cu 7.09248319 0.00843599 3.53518811 0.06742924 -0.23584197 0.09771012 Cu 8.88153460 1.79815355 3.57695635 0.24283881 -0.26165841 -0.18981524 Cu 8.89331395 0.03040006 5.33191399 -0.23308232 0.09927357 -0.09873557 Cu 7.08693071 1.78409295 5.31972007 0.08451559 -0.20073481 -0.11201550 Cu 0.01946918 3.58055406 3.53237436 -0.23418444 -0.20862278 0.00569795 Cu 1.80285550 5.32723495 3.53997090 -0.17153835 -0.08847005 -0.02606472 Cu 1.80747079 3.53312896 5.35434910 -0.27736284 0.05505336 -0.32029370 Cu 0.00174340 5.31682591 5.28549698 -0.27053417 -0.05796898 0.25132162 Cu 3.57777780 3.58859224 3.56438425 -0.38734061 -0.31721400 -0.15028897 Cu 5.32806872 5.28940516 3.56569772 -0.06950433 0.39888197 -0.11327804 Cu 5.31152032 3.57515098 5.31791525 0.04473450 -0.31323262 0.25075656 Cu 3.53722586 5.32857011 5.32570123 0.10036232 -0.01358774 -0.02980228 Cu 7.07123133 3.53413507 3.51423033 0.18751990 0.07411719 0.35868166 Cu 8.83610579 5.30181314 3.52812689 0.48375096 0.05161533 0.15226479 Cu 8.85317089 3.51238480 5.28529791 0.41248894 0.27484616 0.29701163 Cu 7.08482494 5.30001121 5.31321894 0.32324053 0.16076429 0.04507897 Cu 0.03400397 7.06727913 3.55113117 -0.42167607 0.26452287 -0.20024710 Cu 1.79215590 8.86662186 3.52755085 -0.18322765 0.26422405 0.09284038 Cu 1.75632616 7.08234609 5.27816448 0.11631302 0.31827098 0.25196522 Cu 0.00036173 8.83578048 5.33940428 0.20403576 -0.07480995 -0.10568853 Cu 3.57836375 7.11720021 3.52541193 -0.28610191 -0.03858855 0.15110206 Cu 5.34671512 8.84097827 3.55125041 -0.10703592 0.55929441 -0.08861469 Cu 5.28770360 7.12833279 5.32614549 0.40522648 -0.20713927 -0.16900972 Cu 3.57208606 8.83785596 5.36495255 -0.23804883 0.55138673 -0.20803995 Cu 7.09281773 7.06857565 3.52373624 0.12324806 0.20726887 0.24641477 Cu 8.84005338 8.88900368 3.55124947 -0.10751780 -0.25367961 0.02850545 Cu 8.88065940 7.08515396 5.32522578 0.14633001 0.03425308 -0.07257581 Cu 7.08493728 8.86359120 5.29046646 0.14936375 0.22229256 0.20230412 Cu 0.00448883 0.01655616 7.12768539 0.25076161 0.24439734 -0.20334789 Cu 1.77577881 1.77879062 7.11610993 -0.11844527 -0.11465928 -0.08117584 Cu 1.77590682 0.02413558 8.83526430 0.07805358 0.08204746 -0.08695508 Cu 0.02646866 1.77051370 8.87009894 0.12581968 0.07003599 -0.16474183 Cu 3.53441938 0.03354322 7.07071679 0.07619259 -0.46994283 0.13592556 Cu 5.35145937 1.74005328 7.09013123 -0.26119969 0.25610977 0.17451624 Cu 5.28611174 0.00808220 8.85535771 0.11280555 0.10733213 -0.13263129 Cu 3.54390867 1.76083310 8.84756322 0.12852299 0.10595412 0.39378419 Cu 7.08103290 0.03479227 7.07743849 0.17882308 -0.43597450 0.18354686 Cu 8.85351074 1.73859227 7.06708253 0.26357403 0.11276252 0.29270904 Cu 8.88366522 0.02410551 8.89516255 -0.54538416 0.50643249 -0.56815115 Cu 7.08986078 1.77058237 8.86786331 0.14263156 -0.08548857 0.21651976 Cu 0.03166089 3.55326583 7.12453676 -0.35730450 -0.01951413 -0.16217253 Cu 1.78610666 5.34114829 7.06824980 -0.23254408 -0.13124152 0.31259093 Cu 1.76669136 3.53064833 8.88652695 0.09312227 0.13918641 0.24800982 Cu 0.02521855 5.29372208 8.83457320 0.06696505 0.16887153 -0.06378909 Cu 3.54598498 3.56835569 7.13935374 0.19902389 -0.18063666 -0.16035489 Cu 5.35599390 5.34317538 7.06168060 -0.13673222 -0.24138141 0.38884005 Cu 5.35137327 3.56960000 8.88511376 -0.07018320 -0.15899113 0.19282664 Cu 3.57393162 5.30974726 8.85330929 -0.12908135 0.10061836 0.39993821 Cu 7.09694285 3.51999952 7.08719049 0.17535179 0.23237989 0.22820314 Cu 8.86682261 5.35070539 7.12563295 0.17229610 -0.18512701 -0.18458103 Cu 8.85662089 3.56623392 8.86920668 -0.17496446 -0.13761224 -0.22810395 Cu 7.11201959 5.31818916 8.89246158 -0.05465954 0.05700120 0.13102191 Cu 0.02528704 7.12543423 7.08091642 -0.30207054 -0.18414909 0.11192585 Cu 1.76898427 8.85357922 7.12537458 0.01955941 0.17478453 -0.11453087 Cu 1.76425245 7.07721023 8.87254665 0.05040739 0.03693222 0.18626275 Cu 0.03000368 8.85262615 8.86024564 0.40322656 -0.40708762 -0.39740176 Cu 3.56860160 7.06243945 7.06237875 -0.28779693 0.29924102 0.43140046 Cu 5.34246497 8.83679590 7.12688812 -0.06921262 0.44468213 -0.10708752 Cu 5.30417222 7.10863086 8.85578812 0.15317549 -0.11747069 0.39328171 Cu 3.53296088 8.83742817 8.85907032 -0.01255460 -0.12472221 -0.14305855 Cu 7.07005125 7.07511644 7.08080106 0.50174606 0.30273498 0.22668559 Cu 8.87525168 8.86131716 7.06229373 -0.40236811 -0.39959655 0.05070480 Cu 8.88444165 7.06162148 8.88076482 -0.40117669 0.14874810 -0.37661261 Cu 7.06619820 8.88138486 8.83404743 0.18790445 -0.33837255 -0.20690801