256 Lattice="14.235286945081555 0.0 0.0 0.0 14.235286945081555 0.0 0.0 0.0 14.235286945081555" Properties=species:S:1:pos:R:3:forces:R:3 energy=-804.0317787866941 stress="-0.004625975258082709 -0.00031213731191133355 -0.0005472556496177213 -0.00031213731191133355 -0.00481827382658588 -0.00014980575137173846 -0.0005472556496177213 -0.00014980575137173846 -0.004691637212668492" free_energy=-804.0317787866941 pbc="F F F" Cu 0.02763215 0.01074303 0.00803704 0.40552330 0.51366561 0.49552560 Cu 1.79086557 1.74796542 0.00145558 -0.17747303 0.14160820 -0.16416316 Cu 1.74512433 0.02688678 1.75667572 0.17188980 -0.23264644 0.08323582 Cu 0.02896740 1.81455698 1.80030266 -0.23299902 -0.07491059 -0.22738590 Cu 3.57286671 0.03024687 0.02480425 -0.05724140 0.16880123 0.23163296 Cu 5.31068056 1.80567699 0.02367370 0.16483636 -0.22527616 -0.42534297 Cu 5.35815714 0.02093308 1.75830150 -0.08502266 -0.09971717 0.18133850 Cu 3.56133567 1.81100455 1.78495360 -0.24659722 -0.39303009 0.11355235 Cu 7.12998239 0.01411018 0.02066171 0.03587362 0.31646539 0.24826793 Cu 8.93633935 1.76891711 0.01469607 -0.22263590 0.14388032 -0.18919632 Cu 8.92633243 0.01923662 1.79797491 -0.10702912 -0.26178204 -0.20652417 Cu 7.10925316 1.81091968 1.74863499 0.10154083 -0.18757706 0.16002105 Cu 10.65067815 0.02446389 0.01116277 0.21322648 0.25761803 0.31610815 Cu 12.48979986 1.75998822 0.03288317 -0.43467323 0.06932107 0.30009179 Cu 12.48015805 0.01641349 1.74998997 -0.49491087 0.33335099 0.10392297 Cu 10.68170968 1.78769443 1.76802329 0.16532186 -0.14321036 0.15570818 Cu 0.02979102 3.58683201 0.03466757 0.20038974 -0.22253426 0.09721694 Cu 1.76622092 5.34094645 0.01060077 0.11830239 0.17525056 -0.19933027 Cu 1.80904788 3.58863625 1.76420558 -0.25887041 -0.32274778 0.11575411 Cu 0.00717639 5.32477749 1.75842565 -0.27071951 0.16608946 0.13988673 Cu 3.54072400 3.53500535 0.00724914 -0.00322534 0.22066710 -0.38228470 Cu 5.36756230 5.33112725 0.02005770 -0.26843478 0.08205927 -0.29422300 Cu 5.31222394 3.53225462 1.76982086 0.34020623 0.38427583 0.16005525 Cu 3.58756503 5.31318609 1.80927818 -0.15663267 0.20373828 -0.44841010 Cu 7.10835856 3.57203465 0.00593605 0.10795793 -0.13255356 -0.25068485 Cu 8.89343354 5.31363990 0.01845649 0.00620805 0.14760865 -0.44369293 Cu 8.88492880 3.58917708 1.80156064 -0.00549554 -0.29428896 -0.16128996 Cu 7.11543556 5.37500677 1.76467409 -0.06187117 -0.24017638 0.10491014 Cu 10.70136122 3.55384773 0.01811918 0.10346342 -0.08599215 -0.27480502 Cu 12.47813760 5.34716684 0.01007331 -0.35125952 -0.03651049 0.37326352 Cu 12.44789552 3.53039836 1.81284815 0.23805412 0.14004803 -0.11574315 Cu 10.64513124 5.31371127 1.73204372 0.43016022 0.32149211 0.31507901 Cu 0.00044081 7.14981716 0.02177573 0.21608924 -0.11307468 0.24916322 Cu 1.75491469 8.88430315 0.01946483 0.03559832 0.15912876 -0.35338459 Cu 1.76308398 7.12520243 1.79150603 0.11823290 -0.24672096 -0.21446544 Cu 0.03490726 8.92222470 1.78922537 -0.41165255 0.04728262 -0.07516468 Cu 3.53555744 7.14594627 0.00897541 0.09116141 -0.16448764 -0.11917585 Cu 5.36580070 8.90685974 0.01027541 -0.13333945 0.05842767 -0.11446323 Cu 5.30419215 7.10909609 1.78347736 0.23472934 0.23592422 -0.24665283 Cu 3.53301589 8.92836251 1.78523370 0.32265549 -0.26597234 -0.12975489 Cu 7.12703149 7.14222801 0.01297507 -0.08039726 -0.09660696 -0.30991193 Cu 8.88464740 8.90279929 0.00345043 0.19572248 0.09210358 -0.18517732 Cu 8.89770142 7.12613804 1.75356636 0.26583976 -0.02361891 0.23039745 Cu 7.14593522 8.87677058 1.81043365 -0.20724210 0.05702429 -0.20492233 Cu 10.69298658 7.13749213 0.01742934 0.01334944 -0.03156360 -0.22516570 Cu 12.48365089 8.88435420 0.00627537 -0.30259368 0.09590799 0.21702184 Cu 12.45633658 7.14595918 1.76363192 0.11387141 -0.21659228 0.05939147 Cu 10.71223378 8.93255108 1.79595804 -0.23320913 -0.22560981 -0.16948382 Cu 0.01674737 10.70759914 0.02305866 0.36150567 0.00486775 0.36798147 Cu 1.79888461 12.46300403 0.02874726 -0.14343945 -0.25395803 0.25090552 Cu 1.81389542 10.66477521 1.74892177 -0.51275039 0.28542883 0.17636943 Cu 0.03506430 12.48080150 1.80274325 0.27991109 -0.42738766 -0.15132491 Cu 3.54764393 10.71110871 0.01732198 0.15396097 -0.22780610 -0.40862257 Cu 5.33427316 12.45634750 0.03498690 -0.00179937 -0.30197347 0.19158289 Cu 5.33721832 10.64672770 1.81135127 -0.02283332 0.07147380 -0.25128707 Cu 3.54898370 12.42110118 1.75939024 0.09920671 0.37093727 0.20807813 Cu 7.13747076 10.69097545 0.02438303 -0.11501547 -0.00772930 -0.26447127 Cu 8.91639713 12.49115048 0.03175813 -0.02510157 -0.29715598 0.13281980 Cu 8.89453940 10.70264114 1.76080070 0.12949609 -0.09049294 0.14797171 Cu 7.10457875 12.43290104 1.74945441 0.02926450 0.31071636 0.19062159 Cu 10.69206208 10.67716076 0.02216140 0.07740819 0.10803390 -0.24987560 Cu 12.48720812 12.46268734 0.03242429 -0.57677207 -0.53597438 0.52091811 Cu 12.47062837 10.67282466 1.75065497 0.21542559 0.19698138 0.04732438 Cu 10.66490007 12.46650330 1.75243925 0.26168057 0.15087114 0.09902339 Cu 0.00501927 0.01589672 3.53259117 0.19763445 0.21374185 0.06548646 Cu 1.74969423 1.75872911 3.57649280 0.23952034 0.31957666 -0.26883132 Cu 1.80747715 0.03077685 5.31164393 -0.33526628 -0.36165016 0.23257765 Cu 0.02165268 1.81081543 5.32428977 -0.27269795 -0.22510211 0.20366353 Cu 3.55172143 0.02812193 3.57308456 0.10650535 -0.31558404 -0.36317242 Cu 5.31489387 1.83396048 3.57820069 0.33986090 -0.31885402 -0.14554492 Cu 5.37169668 0.00231852 5.31320889 -0.09232673 -0.29487347 -0.11867783 Cu 3.56365288 1.75805249 5.31542010 -0.06467009 0.29507161 0.28084717 Cu 7.14738575 0.02051515 3.53786444 -0.26065233 -0.27780485 -0.09316535 Cu 8.87051695 1.75288445 3.55620644 0.30830976 0.24035057 -0.08049325 Cu 8.86730362 0.00765840 5.37141221 0.27703649 -0.35312014 -0.17558946 Cu 7.13263223 1.76136717 5.32032523 -0.27760628 0.31639008 0.00744706 Cu 10.67808301 0.00762256 3.56958740 0.09876280 -0.22965322 -0.11885695 Cu 12.47961366 1.73436864 3.57126484 0.08098487 0.14326858 -0.15681941 Cu 12.45022935 0.01887704 5.33814406 -0.21863560 0.15709397 0.14210541 Cu 10.69841458 1.76161987 5.30829990 -0.00585773 0.17662534 0.22051171 Cu 0.00956132 3.56911481 3.58786611 -0.18728145 -0.02156375 -0.23167003 Cu 1.77031240 5.32699215 3.53266995 0.05401332 0.10282896 0.13649706 Cu 1.80551781 3.56669784 5.35967685 -0.06820670 -0.16698260 -0.08231158 Cu 0.02715037 5.32900457 5.32339388 -0.33718920 -0.01922083 0.09768157 Cu 3.56412495 3.58774544 3.55805846 -0.14959835 -0.15602024 0.15995631 Cu 5.36544666 5.37053982 3.58408273 -0.07963043 -0.39967608 -0.10804806 Cu 5.30294134 3.59092352 5.37060531 0.37618937 -0.27842633 -0.27104375 Cu 3.55631406 5.33653303 5.36014106 -0.06860752 0.18534517 -0.23855192 Cu 7.14452709 3.58790203 3.57005746 -0.30241271 -0.21777526 -0.12105219 Cu 8.87384891 5.36796256 3.58442972 0.33036121 -0.03206371 -0.19202310 Cu 8.91172651 3.52382393 5.34860768 0.15536279 0.10023226 -0.11576207 Cu 7.14681277 5.31162430 5.33181800 -0.16640450 0.20458907 0.22350599 Cu 10.65489256 3.58029702 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12.46753541 0.10507261 -0.20986757 0.12310641 Cu 7.10851990 5.36030898 12.46994035 -0.15327991 -0.20124168 0.13480252 Cu 10.65362034 3.58665145 10.64450982 0.15567029 -0.22682628 0.31872430 Cu 12.46104297 5.31206199 10.69994779 0.16370527 0.02857295 0.11303261 Cu 12.43927971 3.52396125 12.46837657 -0.32767267 0.06830583 -0.30086898 Cu 10.66709235 5.33235512 12.46565166 0.25182665 0.02202434 0.18899140 Cu 0.02157434 7.11596177 10.67011475 -0.26544366 -0.04945236 0.06926462 Cu 1.75122306 8.87721059 10.68363725 0.18966322 0.24347647 0.02335666 Cu 1.78660672 7.08629265 12.44403693 -0.15119209 0.13762696 0.24496971 Cu 0.00133130 8.91559826 12.42304130 0.33795009 -0.00591015 -0.15511342 Cu 3.57410866 7.14108620 10.68734100 -0.23028192 -0.10422809 -0.06003689 Cu 5.32784598 8.89829047 10.64886008 0.02062630 0.09408684 0.37013928 Cu 5.32143453 7.09935050 12.43386861 0.06792004 0.23452667 0.29862526 Cu 3.52392409 8.91143792 12.48716765 0.09609181 0.00903499 0.04042620 Cu 7.13893726 7.14609514 10.71120354 -0.20074648 -0.23906483 -0.13231585 Cu 8.89241160 8.88992910 10.68938840 0.18816502 0.00345109 -0.03684241 Cu 8.86266536 7.07788639 12.45558453 0.35920673 0.26655752 0.30523193 Cu 7.10060515 8.89272278 12.45403325 0.11109786 0.13521363 0.21635363 Cu 10.71937682 7.09026136 10.65413301 -0.23318250 0.18494184 0.25518185 Cu 12.44158293 8.87065128 10.64825521 0.19622715 0.19482600 0.28631143 Cu 12.47447525 7.10167966 12.48728060 -0.45441463 0.06476982 -0.44532207 Cu 10.65056406 8.91053181 12.43296643 0.30333082 -0.15345071 0.18594249 Cu 0.00580874 10.65623038 10.66844477 -0.07501937 0.28784132 0.12090095 Cu 1.79265010 12.46361537 10.69357811 -0.32519323 0.11906451 0.02910251 Cu 1.79647950 10.73298664 12.46177323 -0.26617147 -0.20637562 0.08841965 Cu 0.01164568 12.44324328 12.46844110 0.51726453 -0.53343789 -0.59489641 Cu 3.57446933 10.70280556 10.70569618 -0.22452511 -0.24462470 -0.06414222 Cu 5.31311650 12.42135865 10.66345450 0.11784856 0.32693517 0.22661492 Cu 5.36700260 10.65842185 12.48080713 -0.18952414 0.15617327 0.07602211 Cu 3.53377987 12.46704933 12.44168050 0.18283994 -0.20449982 -0.15408503 Cu 7.08934186 10.68839575 10.65019383 0.22487132 -0.07307832 0.34914795 Cu 8.92658482 12.44222026 10.69349194 -0.14163087 0.19410265 -0.18525564 Cu 8.91890250 10.70768478 12.43872982 -0.20885032 -0.20623606 0.21827598 Cu 7.14024618 12.42317948 12.46312048 -0.08283308 -0.21767638 -0.35191331 Cu 10.67133302 10.65602860 10.66228602 0.38253975 0.28567518 0.04605051 Cu 12.48781996 12.44549766 10.64447532 -0.55961739 -0.50033154 0.12206712 Cu 12.47242542 10.70500438 12.47283766 -0.58555479 -0.07818527 -0.61804495 Cu 10.64091713 12.44197690 12.44276083 0.33637573 -0.32620401 -0.37121347