108 Lattice="10.650909876234737 0.0 0.0 0.0 10.650909876234737 0.0 0.0 0.0 10.650909876234737" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.58976262882265 stress="-0.00963860997634548 -0.0008448317185486173 0.0014125496503911972 -0.0008448317185486173 -0.009086671923403776 -0.00040979149241696637 0.0014125496503911972 -0.00040979149241696637 -0.00922951840498182" free_energy=-329.58976262882265 pbc="F F F" Cu 0.00703831 0.01526841 0.02213699 0.49642865 0.38070236 0.38306094 Cu 1.80537540 1.77086627 0.00362423 -0.17577663 -0.17222008 -0.24789103 Cu 1.79357223 0.03265325 1.80691689 -0.08553171 -0.53461478 -0.31481091 Cu 0.01227429 1.74355482 1.75763638 -0.29280060 0.13681655 0.11822610 Cu 3.53220724 0.00077235 0.00170362 0.11588216 0.15487299 0.25374065 Cu 5.27597201 1.80368853 0.00672941 0.21751146 -0.12711555 -0.36593114 Cu 5.36016749 0.01826056 1.79790826 -0.36169250 -0.44201859 -0.26722568 Cu 3.56658684 1.77661658 1.80916381 -0.12424115 -0.19782267 -0.49400531 Cu 7.06942654 0.01774573 0.01038706 0.04855178 0.20386701 0.11710466 Cu 8.90574090 1.74317961 0.00636290 -0.39014937 0.22655917 0.32494732 Cu 8.87497567 0.03066355 1.77774989 -0.22019022 0.08037775 -0.01800454 Cu 7.07925101 1.74511148 1.74572368 0.35382643 0.32026981 -0.07142335 Cu 0.01611032 3.52660131 0.01144030 0.06487892 -0.01665841 0.01649839 Cu 1.74562349 5.34760282 0.02300359 0.13922010 0.00794744 -0.41155785 Cu 1.75334800 3.54143059 1.74013178 0.11716607 -0.02096313 0.25619847 Cu 0.01227505 5.29141487 1.77964923 -0.37438000 0.26795582 -0.10372005 Cu 3.51489836 3.55196498 0.00003850 0.15180364 0.11303742 -0.31311295 Cu 5.32987140 5.30564451 0.01533135 -0.14986865 0.02346425 -0.33734591 Cu 5.30586773 3.52506516 1.80472072 0.24866692 0.39617018 -0.48139766 Cu 3.51977986 5.35274916 1.75064048 0.22449859 -0.22013339 0.05912483 Cu 7.12819943 3.57408356 0.01143836 -0.14612928 -0.30208926 -0.18967270 Cu 8.82523764 5.34127636 0.02280913 0.12603189 -0.04883989 -0.08414143 Cu 8.88687900 3.58399912 1.78790729 0.12378381 -0.28216838 -0.10538472 Cu 7.08850873 5.35640822 1.77387733 0.02433587 -0.39083390 0.22449342 Cu 0.03648667 7.11754456 0.00309559 -0.00097701 -0.11677565 0.20100405 Cu 1.74206475 8.87024611 0.00829209 0.26579799 -0.10724881 0.16083843 Cu 1.75670485 7.15480684 1.79034812 0.07715756 -0.28507385 -0.20168051 Cu 0.02676050 8.86510083 1.77765802 -0.01340299 -0.04032964 0.10148257 Cu 3.56687304 7.13592267 0.02969881 -0.22410720 -0.09578685 -0.37404305 Cu 5.30168067 8.86976482 0.01428287 0.10529272 -0.01573714 0.12210388 Cu 5.33410050 7.12954929 1.77252589 -0.19565551 -0.10924675 -0.08550170 Cu 3.52975140 8.90203988 1.81578213 -0.06301479 0.25400679 -0.21307300 Cu 7.07521743 7.07084065 0.01846175 0.10245111 0.42939329 -0.37771854 Cu 8.89133440 8.85714791 0.02502989 -0.54853936 -0.49160857 0.47593707 Cu 8.86201409 7.07167007 1.75030652 0.28756870 0.35934280 0.19679978 Cu 7.07293446 8.88244168 1.78612430 0.37056144 0.25662906 -0.17388675 Cu 0.03001268 0.00662220 3.56039488 0.06284773 0.09002646 -0.04451395 Cu 1.79916944 1.75890096 3.51719576 -0.31052058 0.23855460 0.40596829 Cu 1.77878867 0.02630833 5.34303176 -0.03587026 -0.48516741 -0.14803775 Cu 0.02302827 1.79025944 5.30037609 -0.38026738 -0.13410422 0.13138724 Cu 3.58147094 0.02159190 3.56792160 -0.12267150 -0.59643718 -0.05148023 Cu 5.31812315 1.78712984 3.57136685 0.22849174 -0.26885839 -0.07410773 Cu 5.35092593 0.01181799 5.32215927 -0.07232713 -0.37710350 0.14851650 Cu 3.55199950 1.76743881 5.31536682 -0.05045184 0.07268130 0.14414011 Cu 7.09230695 0.00534830 3.52911989 0.14488444 -0.36017181 0.13647236 Cu 8.84670871 1.76736779 3.53443946 0.47087160 0.11949219 -0.11972932 Cu 8.89148479 0.03395393 5.29378394 -0.22705212 0.08646084 0.15780069 Cu 7.13423224 1.77858202 5.29775128 -0.08448406 -0.14118530 0.44022395 Cu 0.00949745 3.57847125 3.56180099 -0.32096381 -0.25827287 -0.14628538 Cu 1.78824243 5.32577551 3.52978307 -0.01145850 -0.05969820 0.14834769 Cu 1.74246930 3.55786870 5.35562183 0.48066109 -0.16334205 -0.50631855 Cu 0.03058635 5.32986950 5.32840817 -0.57440674 0.06525367 -0.17096679 Cu 3.58551398 3.52462051 3.53109007 -0.48904207 0.43865703 0.31370618 Cu 5.29372019 5.35194475 3.56671166 0.40521819 -0.28206665 -0.14378078 Cu 5.34646174 3.51953013 5.34633696 -0.12417080 0.42863177 -0.02285595 Cu 3.56364718 5.32465995 5.31082907 -0.07720938 -0.05117142 0.27071997 Cu 7.06893716 3.52417442 3.54295869 0.35641759 0.40003127 -0.03350127 Cu 8.88300414 5.29836677 3.56329239 0.24905931 0.23356546 -0.09173016 Cu 8.90694800 3.53112851 5.30671930 0.11261994 0.06781740 0.18153094 Cu 7.13705910 5.35549042 5.30469058 -0.17215030 -0.27276521 0.07549362 Cu 0.00554413 7.07398019 3.53228424 -0.36860533 0.10584605 0.13809311 Cu 1.73976052 8.87449376 3.57452378 0.25773185 0.27162610 -0.05550524 Cu 1.77079569 7.10349355 5.34459051 0.14063493 0.15110775 -0.20895244 Cu 0.04294464 8.85907081 5.31416597 -0.03943559 -0.10115725 0.21423770 Cu 3.57459397 7.07303386 3.54280898 -0.35666002 0.41748983 0.10090673 Cu 5.29066096 8.87980483 3.52369752 0.25367192 0.42014517 0.21595717 Cu 5.35581862 7.13087319 5.33297513 -0.22768699 -0.13180242 -0.03256324 Cu 3.57245586 8.88146290 5.30217912 -0.28021514 0.24790365 0.13664952 Cu 7.10093250 7.13047984 3.53025123 0.22928459 -0.07923566 0.13404082 Cu 8.89483129 8.89517749 3.56039520 -0.20426031 -0.29960435 -0.19100980 Cu 8.88820412 7.11797721 5.34899490 0.29428191 -0.02337683 -0.22374601 Cu 7.12816407 8.86593070 5.29043634 -0.13468694 0.39877597 0.18256025 Cu 0.03262656 0.01944431 7.13340413 0.09822395 0.18453108 -0.20173239 Cu 1.79952709 1.74861910 7.07782228 -0.26893608 0.21986419 0.38144548 Cu 1.77014311 0.03354656 8.87042534 0.06431123 0.13095043 -0.07298491 Cu 0.02783501 1.80678381 8.84739082 0.15192329 0.06444777 -0.12194214 Cu 3.53936747 0.01263237 7.12937645 0.18532871 -0.38200916 -0.08918108 Cu 5.30376028 1.78465217 7.10172976 0.24533440 -0.20438288 0.04126567 Cu 5.35443970 0.04606361 8.87633734 -0.12537998 -0.01410517 -0.03027119 Cu 3.56008973 1.77052363 8.90538357 -0.13835707 0.00658668 0.24069564 Cu 7.07428171 0.00080089 7.12013370 0.22195104 -0.23299769 -0.24049958 Cu 8.85705353 1.76491297 7.11765863 0.30016431 0.11682996 -0.13266382 Cu 8.84370186 0.03307100 8.84743991 -0.25059394 0.20008796 -0.26707042 Cu 7.12475151 1.74831234 8.86264231 -0.11543215 0.26608548 0.32249741 Cu 0.03117226 3.57557048 7.08116905 -0.52016051 -0.24776782 0.22283971 Cu 1.76172201 5.31662539 7.07301312 0.27303968 0.15166147 0.27537486 Cu 1.80103788 3.57663505 8.85830392 -0.20870488 -0.16483199 0.38383193 Cu 0.01603662 5.36045622 8.84702165 -0.01686871 -0.24169782 0.03275589 Cu 3.52941921 3.53348945 7.12266912 0.29091318 0.22261990 -0.18884867 Cu 5.35881950 5.34790978 7.10778798 -0.26496445 -0.15641886 -0.05221011 Cu 5.31965938 3.51882977 8.86472033 0.03891917 0.23293078 0.40795089 Cu 3.53171257 5.34846690 8.85486600 0.16695327 -0.21908629 0.43160704 Cu 7.08721955 3.57264986 7.12251094 0.34443454 -0.20550276 -0.14424548 Cu 8.84909434 5.35027715 7.11563059 0.42603777 -0.25744920 -0.05271640 Cu 8.85024213 3.55506367 8.91068966 -0.10148790 -0.08910902 -0.26885889 Cu 7.12116094 5.30434188 8.89486495 -0.19949305 0.17502611 0.29845414 Cu 0.02084625 7.06787933 7.09752216 -0.37003701 0.43717588 0.02037578 Cu 1.79193947 8.89080328 7.14510189 -0.07778465 0.15043920 -0.23683001 Cu 1.75787487 7.06698423 8.86867237 0.06184779 0.35968965 0.31488535 Cu 0.02365806 8.88048059 8.84370082 0.38398767 -0.47320666 -0.37064251 Cu 3.53401818 7.10975049 7.12924944 0.09914230 0.08506893 -0.20359896 Cu 5.29020064 8.84291899 7.09644913 0.24412916 0.45199720 0.19040101 Cu 5.29340633 7.08640011 8.87011096 0.27013738 0.24056867 0.34704954 Cu 3.51875152 8.90847667 8.90850566 0.05193070 -0.35881624 -0.23722122 Cu 7.11823702 7.10901780 7.10823964 -0.11979883 0.12203613 0.15482436 Cu 8.84522849 8.86024882 7.11468897 0.00082810 -0.07412357 -0.12114343 Cu 8.85862396 7.08962441 8.87028482 -0.14227954 0.03495858 -0.10192185 Cu 7.13595907 8.89978269 8.84175981 -0.31629779 -0.29472413 -0.12337166