500 Lattice="17.84513776073254 0.0 0.0 0.0 17.84513776073254 0.0 0.0 0.0 17.84513776073254" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1618.918743316472 stress="-0.0048039152743484925 -0.00015415817046629678 0.00017785358288190142 -0.00015415817046629678 -0.004690416991641416 0.0003584488060917405 0.00017785358288190142 0.0003584488060917405 -0.004716236956181488" free_energy=-1618.918743316472 pbc="F F F" Cu 0.00480964 0.02924607 0.02457006 0.66445936 0.60463098 0.62380699 Cu 1.79786325 1.80618823 0.02514157 -0.11740769 -0.35656954 -0.32590866 Cu 1.81797243 0.01964757 1.81798245 -0.36319413 -0.01893381 -0.32159530 Cu 0.03989478 1.81541827 1.76047319 -0.19011101 -0.30358447 0.11453979 Cu 3.57697783 0.00171090 0.02711126 -0.16365906 0.28501812 0.20740571 Cu 5.34905837 1.75745260 0.00083044 0.08826354 0.16464320 -0.11012403 Cu 5.32599498 0.02169686 1.75003241 0.17853229 -0.10870433 0.19518267 Cu 3.56741477 1.81017300 1.75076137 0.12167400 -0.09687777 0.18350718 Cu 7.14656142 0.00895034 0.02957577 -0.05326634 0.30098370 0.25554769 Cu 8.94162833 1.75942413 0.01358758 -0.14819057 0.09879427 -0.13527008 Cu 8.90286369 0.03064521 1.77300068 0.27774609 -0.19030990 0.10553520 Cu 7.16274004 1.79152277 1.80167050 -0.33363178 -0.02612987 -0.19317206 Cu 10.72160313 0.01634486 0.03353892 0.02030216 0.32788987 0.34314523 Cu 12.51126315 1.78007492 0.00346021 -0.15324086 -0.06845601 0.00355439 Cu 12.48744035 0.02698753 1.81775795 0.11627290 -0.08693495 -0.24669806 Cu 10.71343820 1.81221984 1.80942335 -0.08212513 -0.35098304 -0.29325596 Cu 14.30882998 0.03052471 0.01846847 -0.10367656 0.32671742 0.38052220 Cu 16.03101764 1.81023831 0.00463442 -0.25830052 -0.01592260 0.35944678 Cu 16.05780082 0.02259751 1.77041503 -0.41577956 0.42216212 0.07329751 Cu 14.29973029 1.78922938 1.76128140 -0.16901604 -0.04860497 0.24342039 Cu 0.03122591 3.56755545 0.00112201 0.20082860 0.00067884 0.23268428 Cu 1.79082050 5.32284409 0.02384662 -0.10962113 0.19573042 -0.24109089 Cu 1.78895720 3.54469320 1.75986655 -0.12116164 0.26377684 0.22454761 Cu 0.01715495 5.36153817 1.77687201 -0.20636690 -0.15074881 -0.15614489 Cu 3.55736341 3.59788644 0.01233576 0.22473490 -0.09616765 -0.22682569 Cu 5.36351299 5.36843400 0.01017072 -0.22701166 0.09544766 -0.15764134 Cu 5.38558572 3.59787363 1.76903508 -0.22829216 -0.41859040 0.00888493 Cu 3.58267507 5.36732979 1.80073250 -0.06612021 -0.01196818 -0.24844449 Cu 7.11364811 3.60257049 0.00661442 0.18650758 -0.28092464 -0.18192847 Cu 8.90790231 5.34182780 0.01314735 0.10178726 0.12181515 0.02425635 Cu 8.88946359 3.55623796 1.81948255 0.12781443 0.15912773 -0.27186849 Cu 7.11141106 5.34889174 1.81221707 0.28303275 0.18733762 -0.15217442 Cu 10.66270674 3.55495995 0.02359193 0.21658190 0.06782291 -0.13525579 Cu 12.51625280 5.37214879 0.03407259 -0.17680381 -0.13920200 -0.28003678 Cu 12.45696076 3.58812451 1.81633749 0.35372030 -0.27894009 -0.32875465 Cu 10.73764868 5.33401878 1.81139461 -0.17336141 0.16833615 -0.28301028 Cu 14.24907879 3.54416717 0.01757932 0.20718498 0.19505551 -0.06325791 Cu 16.05648101 5.33414198 0.00793832 -0.46769970 0.02213588 0.44821105 Cu 16.07510973 3.56739791 1.80748468 -0.07912744 0.12442824 -0.20350234 Cu 14.24636389 5.37655486 1.76399110 0.49363900 -0.22602036 0.06150730 Cu 0.03486247 7.16979774 0.00525162 0.31154724 -0.08684352 0.28098852 Cu 1.81215000 8.92929480 0.00090553 -0.17120361 0.10577884 -0.03860911 Cu 1.79599674 7.11022510 1.75802111 -0.10943414 0.25503445 0.17766035 Cu 0.01870853 8.93310751 1.76212763 -0.06805624 -0.14186976 -0.02471162 Cu 3.54297186 7.17197666 0.02716378 0.19007237 -0.16945525 -0.20113053 Cu 5.37065816 8.90772097 0.03498138 -0.31536918 0.07145698 -0.38345429 Cu 5.35335840 7.17913284 1.80221014 -0.08874587 -0.25185078 -0.05537602 Cu 3.57292483 8.94012999 1.83690475 -0.17378185 -0.15988341 -0.28518874 Cu 7.10826339 7.10900925 0.00408699 0.28268808 0.12117729 -0.02704493 Cu 8.92683766 8.92944210 0.02828088 -0.05523212 -0.12004041 -0.13548417 Cu 8.95670668 7.12093066 1.81222245 -0.27163773 0.14482669 -0.36746547 Cu 7.11921693 8.95182817 1.75210371 0.32395989 -0.30573098 0.27309447 Cu 10.75638819 7.14425950 0.01353675 -0.21445444 -0.12065773 -0.04444867 Cu 12.47707903 8.93146797 0.01179206 0.22394239 -0.14009092 -0.25631665 Cu 12.52657010 7.15047706 1.82944771 -0.21982680 0.04966865 -0.19373797 Cu 10.72246168 8.93655962 1.76571140 -0.15197781 -0.23949422 0.20116769 Cu 14.26663087 7.15703816 0.01572276 0.20315881 -0.02845953 -0.19287807 Cu 16.02884114 8.94538555 0.00094779 -0.19961201 -0.13687544 0.28225203 Cu 16.05162259 7.14875117 1.80091077 0.07323069 0.04147327 -0.24291611 Cu 14.27086419 8.92606970 1.76801868 0.14691507 -0.10528105 0.22475145 Cu 0.00396127 10.68075456 0.00060116 0.44019277 0.09033117 0.35714198 Cu 1.81807496 12.48372130 0.02254372 -0.22991860 0.09272686 -0.14023789 Cu 1.78283302 10.70202400 1.81101079 -0.08453914 0.00419924 -0.29025392 Cu 0.01920223 12.50763604 1.74584190 -0.13484422 -0.10935177 0.08729102 Cu 3.54592995 10.73362001 0.02888384 0.12148166 -0.28678580 -0.20755440 Cu 5.33013035 12.46925886 0.00978223 0.02978503 0.14683216 -0.09841309 Cu 5.33443606 10.67536578 1.79516464 0.12475861 0.21900355 -0.15489175 Cu 3.59666470 12.46129157 1.81546740 -0.06036459 0.44025088 -0.24052812 Cu 7.10498663 10.68598374 0.00091924 0.21222058 0.20869497 -0.15293051 Cu 8.93762510 12.48057011 0.01487054 -0.08849589 -0.02195799 -0.07085978 Cu 8.93746075 10.72475493 1.81985643 -0.09707123 -0.14659423 -0.49910082 Cu 7.10774968 12.46461712 1.79062477 0.05956423 0.23419290 -0.18819492 Cu 10.73638948 10.66883955 0.02053102 -0.19614006 0.28085220 -0.31769293 Cu 12.48669315 12.51982033 0.02843458 0.11107493 -0.28034407 -0.29190534 Cu 12.47831430 10.68883967 1.78634772 0.21737945 0.23209536 -0.07718756 Cu 10.73627252 12.46548849 1.77551435 -0.19223191 0.34979548 0.03449753 Cu 14.27852778 10.67833972 0.02628575 0.01859433 0.34030058 -0.20285040 Cu 16.08586911 12.51352181 0.02071733 -0.47638681 -0.09139197 0.43015304 Cu 16.03984313 10.67936662 1.78422638 0.18693678 0.20636508 0.00053843 Cu 14.26422496 12.48253083 1.80713659 0.21269083 0.06086664 -0.23312742 Cu 0.01820123 14.28605986 0.02638765 0.49130424 0.11311908 0.37503131 Cu 1.80226667 16.08550109 0.02274469 -0.08915410 -0.50659852 0.44778425 Cu 1.78947323 14.25885452 1.78313806 -0.17863863 0.36426130 -0.01153314 Cu 0.01981684 16.09155101 1.77137600 0.54725201 -0.63585807 0.09306152 Cu 3.57990585 14.30501977 0.03127543 -0.06893437 -0.18571823 -0.19426400 Cu 5.32982325 16.05919234 0.01972014 0.03354792 -0.23477342 0.11093791 Cu 5.37288800 14.30720268 1.80102076 -0.17344983 -0.34539356 -0.13566464 Cu 3.58444471 16.02670663 1.76465707 -0.17974684 0.32976168 0.18006190 Cu 7.10315561 14.25704053 0.00055406 0.09739842 0.07072543 -0.15861089 Cu 8.93359695 16.06524760 0.01161798 -0.07873506 -0.37229453 0.18358846 Cu 8.89020578 14.30157793 1.75175338 0.09590095 -0.09368696 0.17893623 Cu 7.10333349 16.06759311 1.71501080 0.25696605 0.17779702 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