108 Lattice="6.123557122948208 0.0 0.0 0.0 6.123557122948208 0.0 0.0 0.0 6.123557122948208" Properties=species:S:1:pos:R:3:forces:R:3 energy=-69395.64470684493 stress="-108.35680196615236 -2.3920305205813404 5.459969795760924 -2.3920305205813404 -121.46173941678535 -5.956304890293859 5.459969795760924 -5.956304890293859 -140.4664741006356" free_energy=-69395.64470684493 pbc="F F F" Cu 0.00589604 0.00352121 0.03817174 -1726.62722072 -1778.60028534 -1669.67249135 Cu 1.01509469 1.00010926 0.00919977 -889.60291685 -756.35614329 -7250.84876699 Cu 1.04034855 0.00932533 0.99719134 -866.29586911 -7438.76818328 -1268.11359674 Cu 0.00376376 1.01246566 1.04566259 -7223.65826778 -704.54553102 -660.11354938 Cu 2.03393905 0.01509863 0.01042340 72.85420901 -4772.98882876 -5081.59837507 Cu 3.04103590 1.04171061 0.00886022 -243.87081533 734.61625159 -8930.97546973 Cu 3.03282706 0.00879344 1.03455920 -8.61899261 -8852.63181616 420.64425332 Cu 2.05157270 1.00362271 1.03612204 2725.81385716 14066.88108087 14448.90409069 Cu 4.08977908 0.00531610 0.00457617 753.93348877 -3586.50637667 -3646.86901734 Cu 5.09150004 1.03163863 0.00549062 3573.08457909 -711.23932059 -3705.50020839 Cu 5.08747349 0.01164754 1.01513827 3642.75081005 -3797.29322420 -911.20119470 Cu 4.06937171 1.00171245 1.02403529 -4735.87536868 4450.87110328 4432.92855607 Cu 0.01601553 2.02701280 0.00826429 -4343.24698548 10.68649627 -4541.45693180 Cu 1.01083927 3.07343859 0.00276240 431.60077701 -367.49424619 -8184.22991464 Cu 1.03637956 2.03656165 1.00062693 13661.04958355 3186.63977891 14240.68325341 Cu 0.00045121 3.03130072 1.02903685 -7926.07045829 -718.23750621 704.52958120 Cu 2.06521174 2.04769263 0.01745291 958.57191266 1097.83896497 -6887.01111224 Cu 3.08620590 3.07867377 0.01607432 -790.09596188 -590.49119800 -6786.36232471 Cu 3.06417079 2.04369054 1.03991752 -7093.01569834 7721.32465493 32849.63496818 Cu 2.04465558 3.04345282 1.02224792 6781.09184442 -7282.99176777 32921.51927133 Cu 4.08833817 2.05302955 0.00761871 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5.07970410 0.00727693 1699.21770669 1665.69813161 -1803.24009194 Cu 5.10894949 4.09093700 1.02010222 7361.54976765 761.83879100 -811.76966890 Cu 4.11303861 5.11098970 1.04064563 614.16211782 7120.33368781 -700.97927152 Cu 0.01555046 0.01677890 2.04140511 -4883.98928582 -4885.67668254 -77.47952606 Cu 1.00756162 1.02131796 2.06584618 13986.38122673 14720.27391257 3186.01036761 Cu 1.01888219 0.00032402 3.04516050 492.54046083 -8660.23119096 -492.59885889 Cu 0.01102289 1.01855788 3.06137183 -8434.16585915 547.99837472 -182.71525410 Cu 2.02594058 0.01376777 2.01771941 1188.34804106 -6496.75104395 1190.54724342 Cu 3.05488388 1.02240642 2.02123060 -7637.96807444 32503.54783798 8666.38340181 Cu 3.07695286 0.01617457 3.08690772 -1161.53914437 -5962.08249508 -1455.68660331 Cu 2.03340404 1.02284418 3.07768447 8204.60348978 32537.04991497 -7772.60828276 Cu 4.09151269 0.00577202 2.06121276 -454.10133208 -8602.01881056 201.19519422 Cu 5.09210905 1.03085921 2.03641399 8234.21531232 78.21953122 126.31662163 Cu 5.11876268 0.01373229 3.06823361 4986.08854833 -4794.63478401 25.83115037 Cu 4.09512542 1.01243213 3.05794425 -14443.46143700 14695.97406630 -2758.53764242 Cu 0.01527561 2.03456440 2.05614836 -5773.26950730 1454.93891338 922.70097665 Cu 1.00946683 3.08199223 2.05456248 31714.74042311 -7593.36695843 6440.37449983 Cu 1.02986645 2.03809414 3.08098383 31989.13055129 7038.42317692 -7392.69593019 Cu 0.00148630 3.05775572 3.04325706 -7197.05049245 -1154.47658930 -814.56157102 Cu 2.02339476 2.05085601 2.03782196 14995.68279689 14950.60286867 15409.13638608 Cu 3.05800589 3.07635112 2.05391623 -14645.23310349 -14867.14001570 15844.21234381 Cu 3.04746809 2.04128565 3.04876159 -14012.33706467 14309.54218995 -15143.70207195 Cu 2.02202058 3.05359005 3.07041353 15551.52755953 -15632.27510770 -16217.16936686 Cu 4.07898287 2.02976533 2.02310733 -32837.30565205 7762.54566673 8144.31911002 Cu 5.09594160 3.03988207 2.03952446 6323.15820061 -566.91919021 1026.79920009 Cu 5.11438269 2.05042532 3.02699131 6596.72591662 1243.76543002 -546.50425377 Cu 4.09370452 3.04872627 3.07520636 -32441.54786311 -7818.06807128 -7373.70799512 Cu 0.01734848 4.11690380 2.03990773 -8517.78448253 -14.84489736 95.03385014 Cu 1.01111932 5.08645384 2.05928301 225.20788471 8503.01231142 306.97089797 Cu 1.03127000 4.08072338 3.04086820 14208.46932810 -14290.50290400 -2537.72615834 Cu 0.01964174 5.10129366 3.06714823 -4680.88221342 4781.09181614 202.65873297 Cu 2.04738113 4.09977495 2.03460562 7927.32220468 -31809.69769222 6358.73385530 Cu 3.06736827 5.09147148 2.05997293 -1251.56642429 6069.91345789 1214.96130535 Cu 3.05220500 4.06960925 3.07933658 -7038.62727397 -32046.47053429 -8053.57263722 Cu 2.04224510 5.09456438 3.08622036 1238.66358703 6837.97354737 -593.40499240 Cu 4.10031573 4.07681799 2.02072495 -14254.28488207 -13868.04572035 2877.62415245 Cu 5.08658502 5.11010899 2.02815952 4630.31396650 4737.93741471 -6.39922231 Cu 5.08372416 4.08572208 3.06805267 7762.81414681 -87.50464361 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4.08699694 4.07278667 -6689.25730598 425.87394358 762.03763909 Cu 1.01615966 5.09194857 4.06310937 -674.60174418 6706.59415376 838.93914409 Cu 0.99665789 4.12211759 5.11880058 -394.95442739 500.87540542 6354.24320859 Cu 0.02207400 5.11102189 5.10070802 -1512.56849873 1608.56216822 1543.14835900 Cu 2.07204211 4.07850379 4.06259333 2890.60413875 -14166.57415815 -13580.54062566 Cu 3.07927980 5.11446487 4.10134578 -357.64087019 8436.38092607 -148.55090904 Cu 3.07300082 4.11915665 5.09683393 -705.50948253 88.36717719 8069.16001165 Cu 2.05211674 5.10106834 5.09940561 53.44251607 4152.37546160 4300.20410240 Cu 4.06886730 4.07685482 4.07866652 -5544.10629406 -5068.38274315 -5415.72905910 Cu 5.10603019 5.11042574 4.07777867 3576.09085038 3671.86230006 737.18523825 Cu 5.08898212 4.07351119 5.09312366 3640.26554154 783.05850623 3717.26295174 Cu 4.11589305 5.08431868 5.12175483 842.30370949 3399.25271868 3674.77194603