108 Lattice="11.286463589091 0.0 0.0 0.0 11.286463589091 0.0 0.0 0.0 11.286463589091" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.98140280078178 stress="-0.004725364579273701 0.0010458997345202878 0.00044877291103651696 0.0010458997345202878 -0.004861026506114559 0.0008566157313168049 0.00044877291103651696 0.0008566157313168049 -0.004857379561187884" free_energy=-216.98140280078178 pbc="F F F" Cu 0.03660800 0.01223831 0.03335474 -0.37082176 -0.31995672 -0.41649459 Cu 1.89364760 1.87042463 0.01700853 0.31550755 0.64308891 -0.73252870 Cu 1.86160991 0.00977355 1.86177251 0.67559267 -0.53019873 0.85044697 Cu 0.02622211 1.88329034 1.85296092 -0.53270882 0.51713732 0.77985122 Cu 3.72929578 0.03097241 0.00074100 0.23029209 -0.41525616 -0.39179501 Cu 5.64696179 1.91120664 0.01501353 -0.12133659 0.33776720 -0.44256317 Cu 5.58816163 0.00470163 1.90315197 0.13937136 -0.26312391 0.27375425 Cu 3.74328665 1.89356302 1.84664479 0.07521788 0.61843480 1.00822928 Cu 7.52298302 0.01316897 0.01212473 -0.35855068 -0.26855664 -0.25209679 Cu 9.43540643 1.91360239 0.02352315 0.23794174 0.30414217 -0.32391582 Cu 9.42090091 0.03480048 1.87580779 0.28926607 -0.34180352 0.35438498 Cu 7.48823039 1.90400387 1.87052450 -0.39295713 0.55526123 0.66909717 Cu 0.03375139 3.77273856 0.03050623 -0.61704682 -0.10685120 -0.54218745 Cu 1.84367925 5.60952152 0.01504150 0.70942557 0.40362945 -0.57206743 Cu 1.85644277 3.78723926 1.84370015 0.91575184 -0.17633411 1.29106765 Cu 0.00954750 5.65355104 1.89443145 -0.45457712 -0.01845207 0.59619740 Cu 3.73914218 3.77647558 0.02026015 0.18311655 0.08570956 -0.45487754 Cu 5.67154508 5.63718812 0.03278090 -0.12440036 -0.10471046 -0.26694454 Cu 5.60204280 3.77374649 1.89592726 0.21799666 0.19832056 0.61805743 Cu 3.72987508 5.66357168 1.86911354 0.16027236 -0.32914197 0.91905182 Cu 7.54169055 3.78120119 0.00502207 -0.43172501 0.10062575 -0.22080264 Cu 9.42234432 5.67781831 0.00360945 0.33673908 -0.16081333 -0.24229260 Cu 9.41590421 3.79493751 1.89341389 0.40872119 -0.03917756 0.27614940 Cu 7.55868998 5.67945687 1.91603795 -0.80895756 -0.02694141 0.38464246 Cu 0.00357629 7.49932687 0.00099512 -0.33335784 -0.20697687 -0.27790194 Cu 1.88200241 9.39453660 0.03257364 0.46720744 0.37071596 -0.44053481 Cu 1.90953307 7.54840620 1.86595241 0.22614685 -0.76249690 0.54074893 Cu 0.00607490 9.43221888 1.87288970 -0.39465603 0.27814839 0.29282087 Cu 3.78428807 7.50114375 0.03318011 -0.14827412 -0.35699546 -0.60829208 Cu 5.63135681 9.40161953 0.02701501 0.08224600 0.26053151 -0.38271933 Cu 5.62599448 7.52667423 1.87427630 0.29996392 -0.73069653 0.75829375 Cu 3.79205052 9.40539026 1.91461232 -0.21318411 0.53814473 0.16782470 Cu 7.54852111 7.49509387 0.00651092 -0.62844157 -0.13264993 -0.38694666 Cu 9.40470801 9.37924323 0.02831370 0.14394732 0.30357948 -0.24652452 Cu 9.42925736 7.55973552 1.88020124 0.35918506 -0.66292214 0.61442449 Cu 7.49753308 9.41701796 1.90650056 -0.31288278 0.28752161 0.27974155 Cu 0.01951155 0.03634417 3.77710563 -0.38695048 -0.28791067 -0.16782184 Cu 1.91645049 1.90176482 3.78689895 0.45998285 0.61762726 -0.32219191 Cu 1.85942066 0.01846074 5.61307855 0.75916145 -0.36164633 0.25918317 Cu 0.02014185 1.89524607 5.63569819 -0.39087260 0.44489287 0.18279493 Cu 3.76520109 0.03480839 3.77598690 -0.13124944 -0.37500918 -0.15930509 Cu 5.62794990 1.91596366 3.78332711 0.20125005 0.50431602 -0.35671606 Cu 5.62835250 0.02544801 5.62268041 0.19341422 -0.49326018 -0.03413578 Cu 3.79548470 1.86655132 5.63230841 -0.36362882 0.67143096 0.30098894 Cu 7.50882443 0.02167187 3.73277108 -0.38749203 -0.34294684 0.12509900 Cu 9.37961584 1.90440086 3.74614134 0.34314973 0.26920732 0.04620393 Cu 9.37932388 0.02596650 5.67161415 0.32728399 -0.20676811 -0.26777309 Cu 7.48966892 1.90249557 5.62259176 -0.33253384 0.55681052 -0.12024572 Cu 0.03636994 3.73604605 3.79567493 -0.27726620 0.13220683 -0.22043765 Cu 1.86567351 5.64735751 3.77656370 0.78992064 -0.22021712 -0.16279979 Cu 1.90333811 3.75105351 5.69485744 0.72416477 0.02280412 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5.61708947 9.37410139 3.73924007 0.26045113 0.43198957 0.23983977 Cu 5.65358318 7.54275275 5.59801154 -0.31496520 -0.92283937 0.42588598 Cu 3.78805660 9.38609642 5.62071187 -0.16871000 0.28979417 0.14122170 Cu 7.54479280 7.55208969 3.82216710 -0.55571317 -0.63842113 -0.44184126 Cu 9.41892990 9.40466194 3.72850387 0.25797568 0.33134879 0.26106162 Cu 9.43753577 7.51185183 5.65169526 0.34089482 -0.43309580 -0.02710096 Cu 7.53831582 9.40876840 5.67385990 -0.50993135 0.53551918 -0.37171683 Cu 0.02457883 0.01853643 7.49698339 -0.35272197 -0.33045932 -0.23543426 Cu 1.91225120 1.89608902 7.55665200 0.48958509 0.37385110 -1.06866297 Cu 1.88294854 0.02858733 9.40807509 0.35749555 -0.49140237 0.32711240 Cu 0.03001020 1.90374449 9.38259903 -0.48138777 0.34667645 0.36978570 Cu 3.79105873 0.00068441 7.51253140 -0.25745001 -0.36684796 -0.44249403 Cu 5.64877434 1.86486040 7.50962201 -0.03019189 0.74973715 -0.25064621 Cu 5.65052573 0.00122415 9.37900186 0.02781430 -0.17765633 0.34805793 Cu 3.73656980 1.89543335 9.39840933 0.49417334 0.35612200 0.44564486 Cu 7.52937896 0.03082863 7.49339611 -0.50815957 -0.51021759 -0.22158714 Cu 9.38726878 1.90697686 7.53838090 0.59661585 0.50505853 -0.58473665 Cu 9.40291597 0.05137056 9.40584002 0.16268951 -0.25413712 0.17594144 Cu 7.54026040 1.91635699 9.39353530 -0.57341191 0.27354664 0.54888636 Cu 0.01255297 3.78167210 7.49896759 -0.49833867 -0.08663016 -0.30828196 Cu 1.88945774 5.60369121 7.52611254 0.82380405 0.23084872 -0.43746455 Cu 1.90965557 3.75742899 9.37686082 0.33679319 0.29893118 0.49502117 Cu 0.00087538 5.64973582 9.38850679 -0.27508801 -0.23558195 0.40510462 Cu 3.82094177 3.74691113 7.52260900 -0.24602137 0.06028119 -0.58358171 Cu 5.61107559 5.60765298 7.55430167 0.37426906 0.43119119 -1.12196965 Cu 5.67279678 3.77921197 9.43656249 -0.10097070 -0.28973886 0.22892216 Cu 3.81446534 5.62985430 9.40524626 -0.38932271 0.03061933 0.33053051 Cu 7.53863189 3.74138305 7.52103403 -0.85483169 0.23426626 -0.69648261 Cu 9.36952785 5.60972668 7.53178101 0.42685807 0.16930113 -0.74237952 Cu 9.40753722 3.81651063 9.41576962 0.39626601 -0.22950771 0.38611976 Cu 7.54239416 5.62756197 9.39753784 -0.67170888 0.24173462 0.33236144 Cu 0.01722931 7.49992629 7.55966283 -0.49551556 -0.21661301 -0.65055452 Cu 1.88980439 9.40070728 7.53761509 0.36673996 0.48600913 -0.51612410 Cu 1.87669629 7.50934290 9.41527129 0.65389707 -0.43927450 0.48252270 Cu 0.03504308 9.41208578 9.43459162 -0.18337385 0.15649748 0.14428288 Cu 3.75396720 7.55879936 7.55648552 0.18844030 -0.95078727 -0.81916031 Cu 5.66269963 9.37417792 7.55503484 -0.18949309 0.53048735 -0.61394111 Cu 5.64308521 7.52133313 9.42920663 0.12755007 -0.46160718 0.35932172 Cu 3.78675855 9.43028454 9.41035710 -0.09658642 0.25677870 0.35748510 Cu 7.49981953 7.55722467 7.50322864 -0.45416755 -1.13230901 -0.41251150 Cu 9.40656905 9.38480523 7.49195073 0.44781621 0.43213859 -0.16347063 Cu 9.40502523 7.51726337 9.37578084 0.33021591 -0.34896657 0.31049580 Cu 7.54944607 9.41007019 9.41300372 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