108 Lattice="10.604296970742283 0.0 0.0 0.0 10.604296970742283 0.0 0.0 0.0 10.604296970742283" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.46550506382613 stress="-2.156068081005084 0.9936197020998323 -1.7790187798201735 0.9936197020998323 -2.200593632828653 0.22657768721904858 -1.7790187798201735 0.22657768721904858 -1.4443804646083447" pbc="F F F" Cu 0.01624364 -0.02419302 -0.00567907 0.48197060 0.60248223 0.51047056 Cu 1.79421466 1.73421054 -0.03336581 -0.14783031 0.14435633 -0.14186996 Cu 1.74605354 -0.00827991 1.74136016 0.17176656 -0.30607461 0.21963845 Cu 0.01433729 1.77504716 1.78473047 -0.39389355 -0.13326655 -0.19465433 Cu 3.51313738 0.00390869 -0.01117687 0.19150772 0.18453499 0.27097783 Cu 5.31732686 1.79710327 -0.02984413 -0.12039890 -0.32305591 -0.38150301 Cu 5.33428888 -0.00737901 1.74510039 -0.15582507 -0.34095521 -0.11240620 Cu 3.56963209 1.77690338 1.76963578 -0.40079927 -0.25286931 -0.15006484 Cu 7.04104934 -0.00790232 -0.03514823 0.08274794 0.38670737 0.38986994 Cu 8.81730821 1.75367327 -0.03424384 -0.32424884 0.05396862 0.45821307 Cu 8.85247730 -0.02632912 1.75090750 -0.53230087 0.45007795 0.03089053 Cu 7.08172767 1.76875227 1.75534669 0.11978414 -0.18581836 -0.05801989 Cu 0.02432767 3.48930304 -0.01019897 0.14558347 0.04643460 0.24549197 Cu 1.75797088 5.26857114 0.01018063 -0.07589226 0.46797413 -0.36980714 Cu 1.77261896 3.53733175 1.75060126 -0.10689205 -0.16981870 0.23333731 Cu -0.02440013 5.30940259 1.79766249 -0.24135960 0.04356907 -0.24001339 Cu 3.51320678 3.53986690 0.03149588 0.13164469 -0.17477056 -0.77833550 Cu 5.29803115 5.31165477 0.02853484 0.17753160 0.04297361 -0.60738161 Cu 5.31626786 3.50348481 1.74848235 0.22487511 0.30252859 0.30879765 Cu 3.56367342 5.27172286 1.76217469 -0.23167501 0.48393408 0.20432161 Cu 7.06105201 3.51399415 -0.03074395 0.23491553 0.19261221 -0.28776028 Cu 8.83234188 5.33702042 -0.01833441 -0.12929433 -0.13703406 0.12206200 Cu 8.85323400 3.56506160 1.75525719 0.33196395 -0.21951672 -0.22475536 Cu 7.09109522 5.32072375 1.73427056 -0.38501784 -0.18062658 0.21668754 Cu -0.00191495 7.09361363 -0.00819237 0.47930654 -0.18866689 0.47349467 Cu 1.76796970 8.84356790 -0.03312710 0.09530903 -0.45175417 0.53633435 Cu 1.79429379 7.04761239 1.77943009 -0.19230105 0.02870895 -0.21488482 Cu 0.02770814 8.81799168 1.78980836 0.31350687 -0.25541302 -0.11003740 Cu 3.56148060 7.09746218 0.01001571 -0.27898228 -0.19897405 -0.44755923 Cu 5.33196899 8.84254744 0.00889072 -0.02137767 -0.13014405 0.10911001 Cu 5.30666794 7.09590159 1.77876297 0.23904186 -0.37592595 -0.09955727 Cu 3.54960902 8.80422785 1.78029352 -0.34790399 0.80667310 -0.27436183 Cu 7.09905688 7.08343270 0.01425158 -0.25200761 0.06409238 -0.57675983 Cu 8.87195194 8.83306477 -0.00082641 -0.57739064 -0.46546504 0.52987238 Cu 8.82415962 7.08686353 1.74300821 0.52029779 0.10419542 0.22992114 Cu 7.05089186 8.82751530 1.77646647 0.24712385 0.47342452 0.10109553 Cu -0.01993089 0.00537542 3.57511279 0.21020846 0.29547320 -0.16329562 Cu 1.77713108 1.74377152 3.49060305 0.06203321 0.20977482 0.22997988 Cu 1.74036006 0.02358371 5.28734073 0.13717588 -0.53933099 0.15935970 Cu 0.01880556 1.80460738 5.35370555 -0.50904754 -0.25868320 -0.23660737 Cu 3.56478966 0.01090435 3.55612023 -0.31915255 -0.75205388 -0.41022842 Cu 5.27313020 1.74400646 3.51618424 0.52644430 0.45095829 0.15086556 Cu 5.30371205 -0.00516976 5.30908629 0.22426935 -0.40262432 0.18895113 Cu 3.55162785 1.74679122 5.26739169 -0.06681793 0.50302720 0.50531216 Cu 7.04803348 -0.00316120 3.52840688 0.25003436 -0.27689267 -0.06932578 Cu 8.87182580 1.76580114 3.49458994 0.25836955 -0.03601468 0.04912740 Cu 8.83978401 0.01095789 5.26858720 -0.33277757 0.32052940 0.18431434 Cu 7.08231305 1.79610154 5.27644401 -0.04564549 -0.17286397 0.14885482 Cu 0.03185340 3.52987093 3.55481381 -0.57328157 -0.19869765 -0.22299431 Cu 1.75637791 5.29546721 3.54452425 0.45029605 0.23198323 -0.24200471 Cu 1.79130185 3.53517206 5.29372630 0.22072750 -0.29584287 0.17855800 Cu 0.02926539 5.27443667 5.28496569 -0.61285041 0.33594041 0.26248633 Cu 3.54312307 3.56832756 3.52203747 0.04210940 -0.33310150 0.13193256 Cu 5.30392155 5.33319639 3.54296674 0.11890410 -0.32560801 -0.25612092 Cu 5.33444444 3.56711262 5.33560269 -0.20684270 -0.54957059 -0.33664423 Cu 3.55681057 5.27447729 5.33400071 -0.21666918 0.49525602 -0.36314577 Cu 7.09208545 3.51025950 3.50215399 -0.27645290 0.16472624 0.07664802 Cu 8.80237902 5.33514350 3.50291378 0.69229687 -0.20340833 0.08232147 Cu 8.86458779 3.55860554 5.31771933 0.37083115 -0.17970382 -0.21607019 Cu 7.05960334 5.28026817 5.28477913 0.04897781 0.15160137 0.15624713 Cu 0.01758138 7.09832949 3.55324716 -0.52571001 -0.29542425 -0.24092992 Cu 1.76122865 8.83998873 3.55926105 0.09891063 0.47644749 -0.21952498 Cu 1.77191998 7.06146458 5.29007166 0.27886709 -0.22239367 0.26918875 Cu -0.00932347 8.78071905 5.30320549 0.12036539 0.20725283 0.11137814 Cu 3.56228929 7.10354760 3.51551803 -0.38625698 -0.67448364 0.34872395 Cu 5.27357975 8.83908280 3.53053870 0.41457769 0.64065322 0.13513696 Cu 5.33166430 7.09092472 5.30157302 -0.13701046 -0.07035942 0.21807843 Cu 3.51851756 8.83868055 5.29857581 0.17596591 0.45994523 0.18297533 Cu 7.06780349 7.05155955 3.55781033 -0.06604871 0.33590134 -0.38988315 Cu 8.84753785 8.84468734 3.54609272 -0.21857975 -0.25785045 -0.18889181 Cu 8.81881042 7.06047524 5.28001117 0.59559568 -0.01470149 0.09954013 Cu 7.10037315 8.85652467 5.28502823 -0.24023738 0.36882167 0.11621340 Cu -0.02031366 -0.03251031 7.08468234 0.40618633 0.46320226 -0.11291219 Cu 1.77661967 1.73855356 7.05177795 0.09278882 0.45684443 0.19091023 Cu 1.75072659 0.03385640 8.83675711 0.07429457 0.12221824 -0.22747946 Cu 0.03437605 1.78789050 8.83281510 0.17873929 0.05529127 -0.35457284 Cu 3.53779150 0.01454802 7.09376259 -0.10311835 -0.48563303 -0.22713590 Cu 5.33568974 1.74749206 7.10400997 -0.19246571 0.44659967 -0.30670661 Cu 5.30969737 -0.03288110 8.81111823 -0.01801235 0.16573546 0.04633324 Cu 3.52928431 1.75483046 8.84298623 0.02355176 0.16271161 0.37149682 Cu 7.05627226 0.03454257 7.10204219 0.36246171 -0.51585832 -0.33026398 Cu 8.81860882 1.79145515 7.09338989 0.36432434 -0.25509276 -0.21775083 Cu 8.83314067 0.01167018 8.86873180 -0.49947257 0.51291515 -0.55349205 Cu 7.07506904 1.74957793 8.87213184 -0.09589949 0.28379718 0.35251828 Cu -0.00378901 3.55220286 7.05868786 -0.28114525 -0.03755061 0.33738748 Cu 1.77083330 5.26725284 7.09113729 -0.06570004 0.44077225 -0.14617553 Cu 1.77041404 3.54847373 8.86984289 -0.00688337 -0.14416997 0.17965476 Cu -0.00249050 5.35249835 8.86446769 0.19538009 -0.11631199 -0.36081308 Cu 3.56674319 3.55626144 7.08117457 -0.31879081 -0.67996010 -0.11093536 Cu 5.28327331 5.33017352 7.08872917 0.61573627 -0.02472235 -0.16266139 Cu 5.28620469 3.56568544 8.84917230 0.33195551 -0.30080808 0.41549724 Cu 3.55266001 5.30675864 8.82226532 -0.34415666 0.14062695 0.69411316 Cu 7.08314782 3.56408190 7.06548363 -0.24701665 -0.32852629 0.16498783 Cu 8.82836714 5.31212769 7.06272622 0.63533046 0.10752846 0.06076553 Cu 8.84429484 3.52449435 8.81054788 -0.04963649 -0.05607216 -0.01324644 Cu 7.12659774 5.27100571 8.85403850 -0.29148700 0.35572333 0.37358839 Cu 0.00480784 7.10421125 7.04687724 -0.23678054 -0.37402783 0.18576309 Cu 1.79781508 8.83808438 7.06618787 -0.10468225 0.28155034 0.11727822 Cu 1.75350222 7.05529574 8.84266052 0.18338148 0.20695410 0.17698520 Cu -0.00896089 8.85162121 8.81206915 0.58843519 -0.55903087 -0.52377970 Cu 3.55246065 7.06764850 7.05166220 -0.30855566 0.19922729 0.11539077 Cu 5.33600764 8.85290300 7.09367892 -0.18463267 0.23054144 -0.23532447 Cu 5.28766766 7.05105356 8.83033973 0.27796776 0.15807444 0.46141239 Cu 3.53631310 8.85699685 8.86730017 -0.03877746 -0.41073843 -0.38720295 Cu 7.10226811 7.04165409 7.06024026 -0.27953469 0.14886466 0.11169354 Cu 8.84880682 8.81303617 7.01869215 -0.27413775 -0.25102812 0.13803716 Cu 8.86072274 7.09459526 8.84764787 -0.39543345 -0.10728391 -0.41104915 Cu 7.04804525 8.81348703 8.80242807 0.16872026 -0.27014467 -0.16369250