256 Lattice="14.225120807608732 0.0 0.0 0.0 14.225120807608732 0.0 0.0 0.0 14.225120807608732" Properties=species:S:1:pos:R:3:forces:R:3 energy=-809.7259760179998 stress="-0.006271415828894839 -0.0001980412654349505 0.00018225455706231852 -0.0001980412654349505 -0.0064326206332582766 0.00034933027608766604 0.00018225455706231852 0.00034933027608766604 -0.006489605803933234" free_energy=-809.7259760179998 pbc="F F F" Cu 0.01061963 0.00501569 0.01588536 0.53691423 0.53711728 0.54722614 Cu 1.78250777 1.74844469 0.01765844 -0.19081049 0.26288993 -0.31437865 Cu 1.80618633 0.03075486 1.75157043 -0.37821327 -0.42076235 0.12731849 Cu 0.02163721 1.77902797 1.78026736 -0.16802631 -0.18666600 -0.11362364 Cu 3.55092608 0.02810184 0.01425263 0.12223704 0.08971820 0.13021658 Cu 5.31109824 1.79779266 0.01936511 0.22754479 -0.14887250 -0.10030873 Cu 5.36010410 0.00231686 1.78518875 -0.05668486 -0.14562415 -0.11891727 Cu 3.53342875 1.75679698 1.75534390 0.30982429 0.23340386 0.08030440 Cu 7.14228143 0.02050049 0.00765293 -0.10564246 0.34727965 0.22591379 Cu 8.92385641 1.79311815 0.00161665 -0.17827684 -0.22253940 -0.11825090 Cu 8.86367703 0.00761711 1.77316806 0.23948195 -0.20726804 0.01238245 Cu 7.13628102 1.76447143 1.79057432 -0.16975394 0.18771950 -0.16383777 Cu 10.66319791 0.01886355 0.02497707 0.07283237 0.35576061 0.36607236 Cu 12.46386847 1.76834959 0.00955449 -0.47208221 -0.05696811 0.33766175 Cu 12.45726643 0.02902362 1.76904813 -0.39632234 0.41056596 0.06950823 Cu 10.65760818 1.75849665 1.80422839 0.17690326 -0.16666550 -0.16191720 Cu 0.00787048 3.56839600 0.02713097 0.27501357 -0.12217053 0.25363236 Cu 1.80644523 5.28475629 0.00529942 -0.10683813 0.23494823 -0.24004762 Cu 1.77965236 3.57126509 1.78412571 0.05920587 -0.13036797 -0.17033812 Cu 0.03228413 5.37266199 1.74287406 -0.22185287 -0.27767209 0.17755816 Cu 3.58835905 3.58862977 0.02189280 -0.12414816 -0.24682538 -0.31872941 Cu 5.36128471 5.36347982 0.01122770 -0.15291087 -0.09615543 -0.24652324 Cu 5.31123146 3.58598892 1.80372979 0.35865820 -0.44200188 -0.31342784 Cu 3.57094189 5.31278753 1.78850777 -0.15190562 0.39666517 -0.13810024 Cu 7.14170886 3.54614390 0.02145994 -0.22209673 -0.07545654 -0.13122517 Cu 8.87093548 5.30835090 0.02083147 0.21376392 0.16072499 -0.33496057 Cu 8.91342410 3.58607360 1.79892788 -0.32800941 -0.34152196 -0.03728559 Cu 7.09846139 5.36026264 1.76837400 0.22400701 -0.26209640 0.13054441 Cu 10.64502263 3.50753148 0.03229908 0.29922705 0.21714615 -0.35821700 Cu 12.47488024 5.30315058 0.00736635 -0.52299831 0.10227769 0.44182673 Cu 12.41579523 3.52304298 1.73529416 0.26311578 0.11344266 0.18181502 Cu 10.65289196 5.31399339 1.78603088 0.41234363 0.21809490 -0.32256760 Cu 0.04439980 7.07847938 0.05056365 0.01851696 0.11238071 -0.08706851 Cu 1.74129349 8.85847970 0.02377211 0.07592728 0.45341867 -0.35800275 Cu 1.76223846 7.14670539 1.75591743 0.18153310 -0.50863134 0.13271083 Cu 0.02714447 8.90451250 1.80489313 -0.42197832 0.07507356 -0.21694336 Cu 3.53174257 7.11966086 0.00904941 0.08861102 -0.16593162 -0.21546833 Cu 5.32155904 8.87584623 0.00865525 0.12652772 0.15853642 -0.09052412 Cu 5.32980580 7.13390604 1.80002425 -0.12455476 -0.03616536 -0.10529293 Cu 3.53060711 8.87664234 1.76896200 0.20028325 0.14623702 -0.03695233 Cu 7.10822223 7.09546348 0.03130482 0.04102862 0.21382586 -0.37144074 Cu 8.88251848 8.87984576 0.00668876 -0.06810475 0.14977234 -0.30377077 Cu 8.91013684 7.12571074 1.74885304 0.06178039 -0.24193224 0.20824115 Cu 7.13987382 8.86827034 1.80976060 -0.31745361 0.31309756 -0.23000618 Cu 10.67932005 7.12916837 0.00388605 0.19070179 -0.22131170 -0.09833392 Cu 12.42033535 8.91953463 0.02726621 -0.15324189 -0.05938563 0.15026357 Cu 12.45430938 7.14024552 1.81070618 0.07402042 -0.13982909 -0.43359296 Cu 10.66006588 8.92318202 1.75344427 0.08846396 -0.19866286 0.22141607 Cu 0.00848099 10.66997900 0.00153209 0.46209609 0.06212375 0.55147373 Cu 1.78332235 12.41550176 0.00328009 -0.12268227 -0.29605871 0.33884145 Cu 1.81287197 10.68616658 1.79430350 -0.59692062 -0.06275943 -0.37143748 Cu 0.03315761 12.47657803 1.79809317 0.40567263 -0.58007494 -0.06441743 Cu 3.56760042 10.69609215 0.02995935 -0.05998069 -0.20285724 -0.33053502 Cu 5.32188973 12.45751396 0.00698806 0.06129347 -0.27206773 0.31947782 Cu 5.32612222 10.68919576 1.79927900 0.03448488 -0.23088176 -0.18539073 Cu 3.54123868 12.43287119 1.75766839 0.14094501 0.39560005 0.11030912 Cu 7.10269571 10.70030142 0.00921431 -0.09587070 -0.13015346 -0.12095108 Cu 8.90007865 12.42634335 0.02362796 -0.11521839 -0.11371268 0.12289462 Cu 8.86865109 10.69144532 1.76101664 0.05002142 -0.16590310 0.21738848 Cu 7.09522601 12.42165248 1.81146147 0.12321897 0.38326286 -0.25248713 Cu 10.64683466 10.66459533 0.03347231 0.11274967 0.11962425 -0.50966606 Cu 12.43949738 12.41308756 0.00901682 -0.53845434 -0.47305310 0.48399349 Cu 12.41865691 10.68352603 1.74531108 0.31299410 0.01161967 0.14963543 Cu 10.64453799 12.41736356 1.74784819 0.17888239 0.29909735 0.12804503 Cu 0.01881734 0.00556687 3.56837445 0.31114460 0.33663092 -0.17337129 Cu 1.81300107 1.79380287 3.53632195 -0.26902230 -0.06795987 0.10097627 Cu 1.74919569 0.01739266 5.31556177 0.07768518 -0.14924577 0.09435912 Cu 0.04079069 1.80692387 5.29972109 -0.25539016 -0.08211517 0.12631067 Cu 3.53733308 0.03515570 3.57086387 0.06369989 -0.40929251 -0.08535665 Cu 5.32467403 1.74887975 3.55748934 0.05479852 0.17433693 -0.06315953 Cu 5.30930114 0.02962039 5.35870198 0.23545627 -0.34806220 -0.13289968 Cu 3.56314302 1.78309593 5.35326522 -0.15808226 0.15714434 -0.15221722 Cu 7.14807822 0.02703648 3.58601703 -0.13676655 -0.42259636 -0.06903152 Cu 8.88728452 1.79685490 3.57553916 0.12631564 -0.20523166 -0.19044776 Cu 8.93382810 0.01500998 5.36225887 -0.06320318 -0.26863196 -0.21087307 Cu 7.13111529 1.74817539 5.32232477 -0.24204727 0.11893155 0.19329520 Cu 10.69592163 0.00033481 3.56561579 -0.08088385 -0.16890427 -0.17488716 Cu 12.43731275 1.81049672 3.58779896 0.36108927 -0.15906425 -0.31183210 Cu 12.44178798 0.03292445 5.30031887 -0.18040562 0.15876957 0.14339890 Cu 10.69648924 1.79411493 5.30018180 -0.13899321 -0.12335890 0.32228575 Cu 0.03481987 3.57391224 3.50108685 -0.31361164 0.09720084 0.17291073 Cu 1.81754484 5.35158770 3.57588520 -0.24598577 -0.17229065 -0.18930734 Cu 1.76090130 3.58009972 5.32791260 0.12254869 -0.11951262 0.03580643 Cu 0.00179615 5.36250704 5.34041843 -0.20306205 -0.19942025 0.08789442 Cu 3.58646916 3.55972843 3.55468950 -0.17036668 -0.15495575 0.14178020 Cu 5.36492477 5.31537787 3.53926446 -0.31438083 0.28892593 0.17822132 Cu 5.36072426 3.57396967 5.36026720 -0.11659214 -0.29803231 -0.10049961 Cu 3.57744747 5.30207042 5.35912948 -0.15648833 0.13057836 -0.18881788 Cu 7.08097014 3.55398305 3.57821471 0.22473873 -0.12686478 -0.26923682 Cu 8.91204333 5.30092504 3.57164856 -0.19223741 0.28079600 -0.12945977 Cu 8.87986087 3.53676381 5.32933281 0.08154572 0.12129796 0.18687093 Cu 7.11315603 5.34450231 5.30941445 0.18454508 -0.07285861 0.39756762 Cu 10.66675118 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-0.12970358 -0.27895582 0.29627063 Cu 7.14541605 5.33540558 12.45475753 -0.14896382 -0.08081490 0.22141683 Cu 10.63487422 3.55716257 10.64801666 0.51649286 -0.11273959 0.29606593 Cu 12.42614404 5.32146214 10.67127975 0.15989316 0.00457656 0.15534266 Cu 12.45663812 3.58381383 12.44486464 -0.41957703 -0.04874423 -0.37270055 Cu 10.63557437 5.33838089 12.46811936 0.42774048 0.09494634 0.13506476 Cu 0.02003536 7.09060725 10.65633851 -0.09549421 0.10663283 0.23183765 Cu 1.78361786 8.90523213 10.68235613 -0.27091646 -0.21267145 0.07390351 Cu 1.80363718 7.09570007 12.42991567 -0.36262431 0.12026928 0.19901821 Cu 0.01193746 8.85980524 12.48116893 0.39233090 0.07149753 -0.47312404 Cu 3.57256896 7.12624063 10.69395853 -0.13841010 -0.09944485 -0.25295882 Cu 5.35874640 8.87062051 10.65024860 -0.25798648 0.14808328 0.15722239 Cu 5.40385524 7.14615909 12.45121719 -0.29740725 -0.20856178 0.36562548 Cu 3.59025087 8.86716636 12.43477771 -0.09538016 0.06975684 0.29511874 Cu 7.08693300 7.11117993 10.68602204 0.27404494 -0.24930044 -0.39159237 Cu 8.87517529 8.87527206 10.68175113 0.21643561 0.09373476 -0.19822460 Cu 8.86696078 7.11206645 12.41273122 0.21911181 -0.04421541 0.32445884 Cu 7.14111385 8.88685111 12.43321501 -0.09041025 0.14397766 0.45228902 Cu 10.72712152 7.12826560 10.66886947 -0.43018475 -0.23259639 0.21318500 Cu 12.41381736 8.88931525 10.63905068 0.34873625 0.22440587 0.39971067 Cu 12.46538959 7.09800013 12.45014841 -0.36612264 0.02415962 -0.34783230 Cu 10.65066594 8.86705648 12.45522087 0.20327302 0.14511196 0.11134969 Cu 0.01718265 10.66691843 10.66119845 -0.06855703 0.11009582 0.21540137 Cu 1.81290659 12.42239324 10.71356901 -0.35247991 0.12324622 -0.05360103 Cu 1.80901936 10.63462129 12.45455948 -0.26445542 0.22550831 0.17215016 Cu 0.00751186 12.43294976 12.46077937 0.65777547 -0.66825891 -0.62973603 Cu 3.54443656 10.65130184 10.66375685 0.23813573 0.16207215 0.01146248 Cu 5.31022499 12.44702462 10.67746002 0.07043629 0.04657216 -0.14598770 Cu 5.32130898 10.65079665 12.43067069 -0.03743771 0.08479932 0.26306374 Cu 3.58120338 12.44540433 12.43640034 -0.05122836 -0.32360831 -0.18216497 Cu 7.08442260 10.64304200 10.71577096 0.26517180 0.50716575 -0.29103664 Cu 8.88981249 12.47346558 10.67926001 -0.12782466 -0.05375013 0.13518189 Cu 8.88219647 10.68472922 12.43726120 0.08307610 0.13245729 0.16734475 Cu 7.05172879 12.43996605 12.46894440 0.12634112 -0.31615243 -0.37786698 Cu 10.64148228 10.64937211 10.64736632 0.28874736 0.30701345 0.38585883 Cu 12.43052198 12.47157509 10.70693924 -0.57007998 -0.62084704 -0.02728278 Cu 12.44578929 10.65423442 12.43318478 -0.59305214 0.07730225 -0.50411786 Cu 10.63397505 12.45868142 12.46977282 0.16321891 -0.55189869 -0.54994600