108 Lattice="11.244015328733438 0.0 0.0 0.0 11.244015328733438 0.0 0.0 0.0 11.244015328733438" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.10744882656434 stress="-1.1903175785416718 0.5155185266110927 0.025908562459198592 0.5155185266110927 -0.9067136631563386 -0.12472421988672977 0.025908562459198592 -0.12472421988672977 -1.1603691573469774" pbc="F F F" Cu -0.02486795 0.03406602 0.01208032 -0.25727167 -0.38537026 -0.26451055 Cu 1.83900045 1.84914669 -0.01052037 0.73235182 0.50425817 -0.43695214 Cu 1.85204728 -0.02672551 1.90172778 0.55749563 -0.40224226 0.23898120 Cu 0.02327414 1.85189426 1.85828210 -0.71048687 0.56443426 0.65645583 Cu 3.71751159 -0.02734345 0.01174274 0.02659730 -0.24697956 -0.25383320 Cu 5.59070838 1.86786982 0.00578312 0.24807716 0.46311718 -0.45355724 Cu 5.58517123 0.02373132 1.89948000 0.30449205 -0.49464969 0.42248128 Cu 3.78055082 1.85170838 1.88838639 -0.52901575 0.78069607 0.49596289 Cu 7.49780910 -0.02741353 0.03609691 -0.42755222 -0.24190464 -0.31261456 Cu 9.37166197 1.88711073 0.02807655 0.35284775 0.28279318 -0.42954218 Cu 9.39070849 -0.00283777 1.87687547 0.32215661 -0.42465191 0.39388808 Cu 7.51220995 1.87160176 1.88460365 -0.83777445 0.49519152 0.45666906 Cu -0.03360448 3.75830814 0.03352048 -0.25559868 0.11987173 -0.34276637 Cu 1.87856249 5.65294419 -0.03169096 0.55237161 -0.35433190 -0.17102025 Cu 1.83710457 3.71810973 1.86115979 0.87678121 0.37076746 0.71917719 Cu 0.00910852 5.65858673 1.89125261 -0.41729269 -0.37416477 0.48749155 Cu 3.71529869 3.73197102 0.01225692 0.10280875 0.09757318 -0.23431028 Cu 5.65687735 5.58850126 -0.02455034 -0.48079356 0.02212081 -0.12792228 Cu 5.62713628 3.71211716 1.88289235 0.11775330 0.37638008 0.40303357 Cu 3.77773851 5.57777356 1.89692593 -0.05881586 0.20837507 0.42240024 Cu 7.52216878 3.77477489 -0.00348163 -0.74244942 -0.34063704 -0.27787089 Cu 9.33575278 5.59326269 -0.01719228 0.45758675 0.18444572 -0.31157732 Cu 9.34549040 3.74873568 1.89297721 0.46310143 0.24318417 0.51028698 Cu 7.50433260 5.67069636 1.86339321 -0.71170303 -0.46124041 0.73476179 Cu 0.02805555 7.47340256 -0.00007968 -0.49913733 -0.17028954 -0.41826699 Cu 1.85317628 9.38995720 0.02079995 0.44054109 0.32888238 -0.43098891 Cu 1.85319976 7.46584503 1.89998875 0.90324848 -0.35806040 0.70094391 Cu 0.03730070 9.38038693 1.86574634 -0.50087638 0.25494784 0.50807480 Cu 3.72959769 7.53060083 0.03431407 0.25613226 -0.81077679 -0.45828255 Cu 5.65879609 9.38442026 0.01009994 -0.15226491 0.40398535 -0.39416979 Cu 5.65233107 7.50328253 1.85107922 -0.39995823 -0.92625878 0.80072105 Cu 3.76656904 9.34454243 1.84766067 -0.13799280 0.45472450 0.86390547 Cu 7.45353208 7.49469252 -0.02401138 0.03832421 -0.32458861 -0.53592793 Cu 9.38057227 9.40274838 -0.00211095 0.02009900 -0.02405450 -0.03736159 Cu 9.37234537 7.46147244 1.87834322 0.55522633 -0.17677813 0.15657606 Cu 7.49754127 9.34926237 1.88471419 -0.13727148 0.56579438 0.26100395 Cu -0.00140256 0.01098489 3.74324175 -0.34834696 -0.28755968 0.21208354 Cu 1.85226676 1.88949632 3.74801444 0.84921156 0.47085095 0.09011988 Cu 1.86953503 -0.01305122 5.65027793 0.41248784 -0.32222038 -0.21696223 Cu 0.02137704 1.89193973 5.63097790 -0.53324431 0.32275025 -0.05086077 Cu 3.72308353 0.00197271 3.73103046 0.18537886 -0.12965395 0.50579293 Cu 5.64456953 1.90411482 3.76496539 -0.23575999 0.22976189 0.29552971 Cu 5.64068543 -0.03019582 5.65538820 -0.32091390 -0.22024429 -0.50319994 Cu 3.70237823 1.89030369 5.65919130 0.42650638 0.37094960 -0.48706546 Cu 7.49221039 -0.00242284 3.77926730 -0.54755529 -0.42579770 -0.22215206 Cu 9.35380536 1.85622573 3.72533800 0.38151931 0.62887120 0.26691961 Cu 9.36036104 0.00334924 5.61231805 0.46189148 -0.36878218 -0.10701180 Cu 7.48020902 1.86212975 5.62620820 -0.54244025 1.02650487 -0.34239545 Cu -0.02191354 3.73295113 3.76841915 -0.29955882 0.14472821 -0.20191712 Cu 1.87327849 5.60593911 3.76757414 0.71043963 -0.27745450 -0.15572124 Cu 1.85296466 3.73089500 5.63963585 0.92404076 0.28052024 -0.26279011 Cu 0.03141109 5.60563951 5.61129702 -0.46198471 0.09811734 0.07762926 Cu 3.76293652 3.72336296 3.73562083 -0.25554352 0.15994920 0.16599330 Cu 5.66682511 5.61084914 3.76029383 -0.27265066 0.26447396 -0.16360125 Cu 5.59041300 3.78174952 5.58876224 0.14688920 -0.24939689 0.37624254 Cu 3.76548571 5.62456255 5.59672406 -0.16648900 -0.21447820 0.12936702 Cu 7.48119401 3.78538114 3.73360324 -0.36221799 -0.18060978 0.16526108 Cu 9.38870084 5.63731951 3.77602401 0.25728869 -0.29602475 -0.13275327 Cu 9.34949931 3.72893376 5.61847093 0.31382809 -0.03941279 -0.17861242 Cu 7.51567845 5.60832851 5.62248799 -0.77324421 0.22534576 0.00121594 Cu -0.03097573 7.48600130 3.77945743 -0.30829294 -0.37910093 -0.14108067 Cu 1.86324967 9.38801524 3.77411208 0.50089596 0.20037147 -0.29856698 Cu 1.88573674 7.47914910 5.59612117 0.51989284 -0.48084007 0.30399959 Cu -0.02648725 9.34659256 5.59891632 -0.19119622 0.29872852 0.24600632 Cu 3.76375328 7.46385073 3.76175196 0.13253656 -0.41005616 -0.25102776 Cu 5.65343197 9.34983395 3.71726843 -0.22110795 0.30153867 0.29353617 Cu 5.64711846 7.51489271 5.62726074 -0.02926727 -0.54979085 -0.24811140 Cu 3.71984567 9.39101618 5.57046118 0.39902831 0.14353891 0.30016571 Cu 7.52954724 7.51048404 3.73540684 -0.87205998 -0.78221822 0.35914101 Cu 9.37037566 9.35434168 3.76270847 0.41408416 0.41238233 -0.13017927 Cu 9.39349016 7.48430064 5.58972468 0.23368243 -0.29559565 0.41424098 Cu 7.53316217 9.40418269 5.63527503 -0.67995347 0.20237182 -0.18358348 Cu -0.02780952 0.03160147 7.48774799 -0.46782717 -0.48760146 -0.41076664 Cu 1.84207126 1.87741061 7.51359128 0.82030427 0.44032633 -0.56977343 Cu 1.83925798 -0.02842720 9.34678491 0.49735689 -0.36807644 0.28900639 Cu 0.00600427 1.87661099 9.34405161 -0.47317570 0.44282114 0.52422358 Cu 3.77027723 -0.00815656 7.46618475 -0.14429144 -0.31874782 -0.16009709 Cu 5.65319554 1.83836124 7.46063328 -0.39955235 1.13603604 -0.26994481 Cu 5.63922687 -0.02176970 9.36736184 -0.01994836 -0.28952296 0.17556401 Cu 3.74475367 1.83777503 9.38649851 0.14497135 0.49508146 0.17198545 Cu 7.52507413 0.03378840 7.46570660 -0.55345980 -0.83096420 -0.14894399 Cu 9.34590197 1.85484927 7.46956668 0.59290290 0.72060045 -0.25000352 Cu 9.37635767 -0.00947611 9.34559524 0.15539938 -0.15631255 0.19817579 Cu 7.48334103 1.87208534 9.37213132 -0.35624807 0.61769031 0.42512703 Cu 0.00097526 3.78146402 7.50043260 -0.53273297 -0.09757990 -0.39827883 Cu 1.85818396 5.60097596 7.50206498 0.93572203 0.29075472 -0.55229932 Cu 1.88819507 3.74044376 9.36564094 0.36953458 0.13227762 0.48658836 Cu -0.02511288 5.63513251 9.38109153 -0.13129098 -0.05840459 0.34539916 Cu 3.72133579 3.71961017 7.48811865 0.41488418 0.25876550 -0.54268201 Cu 5.60192811 5.65810015 7.47426835 0.08220466 -0.39302475 -0.51976370 Cu 5.59641807 3.78253208 9.37219784 0.08224676 -0.31321463 0.04563889 Cu 3.77335890 5.60399477 9.37968334 -0.22725755 0.16172987 0.16300695 Cu 7.48044474 3.77613255 7.48785986 -0.73482103 -0.09841305 -0.48823447 Cu 9.38633562 5.60505788 7.47087896 0.26564097 0.18506081 -0.38270262 Cu 9.39776912 3.77049081 9.33255318 0.13699408 -0.09068335 0.28234537 Cu 7.47423294 5.64424552 9.38953772 -0.29542457 -0.18830516 0.24181592 Cu -0.00294052 7.49339373 7.52460530 -0.36811639 -0.55338916 -0.78716269 Cu 1.88660217 9.35411668 7.52013957 0.47688250 0.43663960 -0.83419696 Cu 1.89372838 7.52439437 9.38971387 0.58604400 -0.83620818 0.41941338 Cu 0.02927583 9.33646463 9.34843629 -0.37463521 0.38811000 0.37410180 Cu 3.77847111 7.48664205 7.48902294 -0.21017004 -0.38450812 -0.58260485 Cu 5.65773078 9.38506707 7.50969840 -0.35081921 0.35875756 -0.62018869 Cu 5.61981054 7.50621330 9.40556510 -0.19467560 -0.47199003 0.33085840 Cu 3.76350257 9.39880983 9.38088315 0.09160335 0.24016117 0.21425935 Cu 7.47990421 7.50388140 7.52363658 -0.31186028 -0.70884404 -0.89769994 Cu 9.33816254 9.40583672 7.49752265 0.41763896 0.23872518 -0.31561183 Cu 9.37091375 7.50182195 9.34610306 0.40304480 -0.39547220 0.32894291 Cu 7.48075610 9.35810745 9.39638251 -0.24658093 0.42064275 0.44751086