864 Lattice="22.23622719160811 0.0 0.0 0.0 22.23622719160811 0.0 0.0 0.0 22.23622719160811" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2235.4468079660405 stress="-13.956335566287983 0.15714167327472595 0.16674486025372914 0.15714167327472595 -16.13431793329596 0.3183185338770045 0.16674486025372914 0.3183185338770045 -15.88692742050462" pbc="F F F" Cu -0.01009833 -0.00807114 -0.03308377 -0.29546018 -0.34986958 -0.23673032 Cu 1.81750258 1.83095642 0.02987347 0.52116463 0.61036852 -1.13993834 Cu 1.86501629 0.02704601 1.84230097 0.30222100 -1.15383875 0.65574939 Cu 0.02122915 1.81826219 1.85639910 -0.98520077 0.87803532 0.40660552 Cu 3.71949327 0.02908574 0.03323011 -0.23669888 -0.82668125 -0.94690322 Cu 5.53130176 1.83266542 0.00214992 0.28627977 0.64279363 -0.82682444 Cu 5.51744629 0.02239231 1.82784449 0.43177365 -0.85188968 0.77824511 Cu 3.69915497 1.81906940 1.82321419 0.19216307 0.93745661 1.22040183 Cu 7.42372604 -0.01828597 0.02456287 -0.19210981 -0.53438436 -0.58577496 Cu 9.25078111 1.82605109 0.02581055 0.08298981 0.69036260 -0.69833484 Cu 9.24815359 -0.02495897 1.85434259 0.04980833 -0.65223997 0.55063691 Cu 7.39727551 1.84955525 1.82352101 0.19680454 0.75395391 0.99626052 Cu 11.14571992 0.01774836 0.01300554 -0.17510259 -0.61855709 -0.54452202 Cu 12.94736679 1.86120024 0.00381489 0.33774347 0.30840436 -0.55214592 Cu 12.97092970 -0.01568572 1.85544927 0.16966328 -0.67547683 0.26949210 Cu 11.09743380 1.83065563 1.85824528 0.24254283 0.99435079 0.47203885 Cu 14.87325066 -0.02634000 -0.00573872 -0.20717560 -0.28868247 -0.32186955 Cu 16.67516407 1.86060692 -0.00500114 -0.24924545 0.37233210 -0.62379866 Cu 16.70778512 0.01388139 1.86466753 -0.20779151 -0.69839467 0.42112371 Cu 14.79847531 1.84925057 1.86485987 0.08582793 0.52551248 0.22557448 Cu 18.49520869 0.03563482 -0.01544481 -0.06574255 -0.63289706 -0.53170829 Cu 20.39262303 1.86469574 0.03578012 0.53720842 0.17984148 -0.73642665 Cu 20.41996785 -0.02445394 1.86275221 0.22231971 -0.34081809 0.38662444 Cu 18.53060419 1.86438316 1.82885156 -0.47298376 0.42145576 0.91681530 Cu 0.00317056 3.75152326 -0.03012737 -0.36104862 -0.16338351 -0.27184166 Cu 1.85872595 5.58422208 0.02518626 0.38488379 -0.05669289 -0.69135603 Cu 1.91426098 3.67161079 1.82358416 -0.28921792 0.22936205 0.98390494 Cu -0.00753024 5.54053813 1.87714938 -0.52948815 0.08107221 0.20411464 Cu 3.70275825 3.67849772 0.02933121 0.22847054 0.22845411 -0.79240492 Cu 5.55207284 5.58726240 -0.03672749 0.03124985 -0.29627468 -0.24420138 Cu 5.58231582 3.68916819 1.86872263 -0.28746030 0.32094307 0.56997459 Cu 3.67438485 5.53909888 1.85688397 0.48025427 0.19922598 0.65778353 Cu 7.37551982 3.68987088 -0.02233769 0.18048718 0.13444284 -0.42989691 Cu 9.28798791 5.52331913 -0.00927907 -0.13860512 0.18201644 -0.52506028 Cu 9.29989671 3.74144181 1.84113504 -0.39898461 -0.14285540 0.67563187 Cu 7.41320796 5.58212987 1.81821238 0.06979996 -0.25226881 0.85012085 Cu 11.12156712 3.68955512 -0.01685709 0.00653707 0.12793452 -0.39230975 Cu 12.94521091 5.60031505 0.00329607 0.16425278 -0.23863000 -0.51246389 Cu 12.97916917 3.73989421 1.81777411 -0.25104161 -0.23721642 0.87996245 Cu 11.15449533 5.59566936 1.88841686 -0.25740243 -0.20927193 0.38715275 Cu 14.83363555 3.69129767 -0.00118388 -0.25324675 0.24997183 -0.68513142 Cu 16.69520458 5.55834610 -0.00687003 -0.30151655 0.16223064 -0.54207668 Cu 16.62582805 3.69861399 1.81878840 0.37992791 0.11809138 1.17801995 Cu 14.84976706 5.54568015 1.87437286 -0.11724610 0.21427679 0.39987953 Cu 18.48952718 3.69981193 -0.00862317 -0.02457337 0.25793104 -0.53820728 Cu 20.41983554 5.59474955 0.02438002 0.20775174 -0.19259914 -0.52786939 Cu 20.41538825 3.68772153 1.82002608 0.45605627 0.40393687 0.62601192 Cu 18.50741207 5.59266758 1.84951116 -0.48708131 -0.41127532 0.51019587 Cu -0.00098634 7.44558844 -0.02899147 -0.45871103 -0.19060158 -0.34801113 Cu 1.84383947 9.28248342 -0.03066824 0.74489214 -0.21579646 -0.50105542 Cu 1.82384922 7.40862228 1.86846511 0.93730785 0.05578762 0.35590254 Cu 0.00835285 9.23165238 1.87775153 -0.69233969 0.35588922 0.21026551 Cu 3.73878571 7.38673840 -0.02633137 -0.20203070 0.33268686 -0.19207273 Cu 5.54824653 9.29152330 -0.03427859 0.01280220 -0.05010707 -0.22226620 Cu 5.57535197 7.39854976 1.88507634 -0.27795077 0.17593610 -0.12802333 Cu 3.65733348 9.26057708 1.84997320 0.38114076 -0.24976345 0.21814958 Cu 7.41601930 7.43926231 -0.00446034 -0.16635477 -0.30093063 -0.59984196 Cu 9.22843973 9.22897446 0.00651963 0.39252208 0.39881776 -0.61350878 Cu 9.28172475 7.40733226 1.82467524 -0.07727100 -0.23526820 1.08553019 Cu 7.42111552 9.24549899 1.83984703 -0.23528594 0.21123142 0.60596239 Cu 11.08999100 7.41321471 0.01105551 0.16455428 0.07853898 -0.55324254 Cu 12.95126582 9.25257080 0.02809280 0.07845978 0.22190527 -0.58338937 Cu 12.99749935 7.42802430 1.85832415 -0.17837330 -0.31748847 0.67850080 Cu 11.12435253 9.25928560 1.88504180 -0.30621167 -0.04612254 0.36306885 Cu 14.79504253 7.41155286 -0.02853580 0.21424236 -0.10526163 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0.24534097 0.25572734 Cu 3.73770570 12.93746603 1.82181024 -0.33267480 0.55394119 0.95514614 Cu 7.44463632 11.15326876 0.01804127 -0.54128328 -0.18987803 -0.50626543 Cu 9.26676603 12.94703560 0.01335066 0.15133092 0.29384600 -0.69638748 Cu 9.25461008 11.12109910 1.81860278 0.36616469 -0.05103296 1.22668899 Cu 7.44389259 13.01031342 1.84411348 -0.61315664 -0.48461011 0.81383727 Cu 11.12606514 11.10922298 0.03378738 -0.09503671 -0.17883791 -0.66222403 Cu 12.99404729 12.93987178 0.03231557 0.11443129 0.25106926 -0.64717380 Cu 12.95082562 11.12766463 1.88905252 0.26654461 -0.16912234 0.33193876 Cu 11.14679997 12.98789294 1.81794179 -0.30116422 -0.13314258 1.44295772 Cu 14.85844784 11.12550088 0.02643018 -0.29403949 -0.33628669 -0.62448205 Cu 16.64618133 13.00761669 -0.00393485 0.30362431 -0.23928129 -0.60191621 Cu 16.65464395 11.15088660 1.84370885 0.47567066 -0.33736986 0.78568161 Cu 14.85239495 12.96912319 1.84080488 -0.19037955 0.30217483 0.85720307 Cu 18.56330838 11.06924202 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14.82020426 1.87845667 0.22285465 0.25340998 0.20906411 Cu 7.38947081 16.67554292 1.85748837 0.46778174 0.09175551 0.34411097 Cu 11.10873526 14.79268775 0.02597072 0.20174522 0.34905925 -0.56994125 Cu 13.00528036 16.70612622 0.01343459 -0.34912609 -0.31007245 -0.52331376 Cu 13.00562612 14.84853685 1.87051292 -0.20270134 -0.06598323 0.36987538 Cu 11.10517461 16.70911229 1.84114576 0.20204276 -0.27497023 0.92343914 Cu 14.82731384 14.87200176 -0.03652012 -0.09744853 -0.23860504 -0.34978787 Cu 16.65765997 16.71297116 0.00371317 0.33161333 -0.41370295 -0.69982079 Cu 16.68429556 14.83240144 1.84403448 -0.19991094 -0.13265698 0.77871624 Cu 14.86523193 16.69882612 1.84403879 -0.30095174 -0.20229524 0.97308297 Cu 18.50132332 14.81645603 0.00479117 -0.32667075 0.12879986 -0.77483992 Cu 20.35058061 16.66273826 0.03499155 0.52184108 -0.02455852 -0.54672075 Cu 20.35508113 14.82326745 1.87667715 0.77632388 0.14976690 0.27396986 Cu 18.51689790 16.64095400 1.88166158 -0.49860015 0.34038681 0.51973843 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Cu 5.54669912 12.94002450 18.56645913 -0.14257524 0.37014340 -1.25449670 Cu 5.56120184 11.15142181 20.36427052 -0.05529413 -0.33398707 0.63688388 Cu 3.66973429 12.98406055 20.36240961 0.15144630 -0.16751800 0.52298437 Cu 7.39673504 11.15803656 18.49637422 0.23609981 -0.26523402 -0.21411244 Cu 9.24781878 13.00321581 18.54594803 0.15515179 -0.09902300 -0.94181430 Cu 9.26020679 11.13232494 20.34909032 -0.09471646 -0.10869802 0.54416940 Cu 7.42349528 13.00236327 20.38631137 -0.14937337 -0.17920787 0.52152441 Cu 11.10321476 11.13933713 18.54062179 0.13893765 -0.27798464 -0.71772379 Cu 12.95345246 12.93841391 18.50695432 0.21454700 0.25612106 -0.48554349 Cu 12.96082871 11.09960624 20.39090003 0.00212545 0.15331041 0.50955329 Cu 11.08252457 12.98208679 20.39605645 0.24961795 -0.21901302 0.51805969 Cu 14.80566754 11.14616608 18.53173058 0.02612465 -0.34466771 -0.85580890 Cu 16.68569534 12.95514434 18.55718774 -0.18150497 0.28877203 -0.84052895 Cu 16.69252208 11.13296567 20.34707391 -0.19211015 -0.10521006 0.62079289 Cu 14.79830509 12.95732931 20.36485352 0.04455103 0.11933806 0.57023778 Cu 18.53849848 11.09184056 18.51351372 -0.80237028 0.01894697 -0.56192703 Cu 20.35591632 12.96669443 18.50252756 0.66081387 -0.04507700 -0.22443950 Cu 20.35748771 11.13850197 20.35651334 0.59387194 0.01103010 0.64927765 Cu 18.52357607 12.96018965 20.41548030 -0.49946926 0.24394030 0.47485100 Cu -0.02057613 14.82560426 18.53537588 -0.68319761 -0.21494829 -0.32287771 Cu 1.82527682 16.64069378 18.51514864 0.75921998 0.20743189 -0.38543155 Cu 1.89198021 14.84075433 20.36005075 -0.08510745 -0.11870037 0.66641254 Cu -0.03603242 16.69790613 20.38984429 -0.33244419 -0.21128973 0.48039901 Cu 3.73141046 14.85437944 18.50217750 -0.03658343 -0.37488085 -0.42603582 Cu 5.57454666 16.66419424 18.50448101 -0.17779008 0.24870541 -0.35834483 Cu 5.53622746 14.80270741 20.36925538 0.13030984 0.21508656 0.51221392 Cu 3.67647279 16.66521906 20.36552267 0.27772011 0.14966964 0.40465625 Cu 7.42368585 14.85055496 18.51426621 -0.26169532 -0.00531589 -0.41425658 Cu 9.27317492 16.70250742 18.50921172 0.00667412 -0.42778775 -0.33811763 Cu 9.25014214 14.79144118 20.41931161 0.06609723 0.56045927 0.34522537 Cu 7.40228656 16.69217942 20.39240705 0.10943435 -0.23736617 0.43747514 Cu 11.13293136 14.82023456 18.55003381 -0.22628946 0.20977813 -0.81019592 Cu 13.00407216 16.69781052 18.51819618 -0.60736648 -0.12439903 -0.31580352 Cu 12.93455143 14.79117586 20.37863632 0.19411185 0.23879026 0.47172517 Cu 11.09234734 16.69769244 20.40384630 0.14025112 -0.41845672 0.31929375 Cu 14.81405496 14.85677866 18.53823174 -0.07288729 -0.52977813 -0.60718678 Cu 16.70162945 16.66657667 18.49875656 -0.37983085 0.22380392 -0.02576958 Cu 16.62158250 14.85375049 20.37294116 0.31132640 -0.22098733 0.52270827 Cu 14.80688953 16.67958534 20.38269374 0.01445480 0.15313617 0.48780493 Cu 18.52313832 14.81021121 18.52653102 -0.77306685 -0.00226051 -0.45705792 Cu 20.38001540 16.67975473 18.55501399 0.61413149 0.07293541 -0.64329188 Cu 20.35453087 14.84313014 20.36511738 0.62286024 -0.28609593 0.53509409 Cu 18.54249368 16.66070585 20.40038359 -0.77871687 0.18406458 0.53934245 Cu 0.03592024 18.49721139 18.52602658 -0.95400483 -0.12712126 -0.53055316 Cu 1.85647491 20.35423342 18.56065386 0.29065387 1.04933193 -0.82163235 Cu 1.84722488 18.52197625 20.35774797 0.41695321 -0.63895614 0.92058328 Cu 0.01772092 20.40818264 20.39095874 -0.33173864 0.19244926 0.25047514 Cu 3.67564931 18.54499259 18.49829351 0.57233160 -1.01753273 -0.58127728 Cu 5.52953134 20.40586900 18.54117363 0.19889720 0.34226914 -0.53058810 Cu 5.52710239 18.49840010 20.38656183 0.04730998 -0.30979186 0.41904057 Cu 3.68547856 20.35130802 20.35346735 0.12825601 0.59926591 0.75260090 Cu 7.42472692 18.53003507 18.54679391 -0.26828025 -0.53747851 -0.64276505 Cu 9.27704245 20.38424535 18.52225436 -0.06134165 0.68834621 -0.45295943 Cu 9.29233022 18.52144977 20.39910714 -0.19481233 -0.38889454 0.64221611 Cu 7.44089638 20.34896570 20.37594177 -0.17339741 0.48567737 0.50236561 Cu 11.09509265 18.55582283 18.55453414 0.19820297 -0.96872420 -0.79426744 Cu 12.92253966 20.35421596 18.50666197 0.24417684 0.69070888 -0.07323831 Cu 12.93121611 18.51588355 20.41493730 0.13391019 -0.28793039 0.48310144 Cu 11.09139662 20.41539665 20.41879362 0.10031364 0.44362373 0.39869359 Cu 14.80085851 18.53303545 18.51146692 0.18334606 -0.72467614 -0.44537955 Cu 16.64824331 20.40021153 18.55778796 0.33529351 0.59621872 -0.69511429 Cu 16.66493121 18.56511109 20.40091946 0.13338239 -0.83188070 0.42742159 Cu 14.81051742 20.36025126 20.34882168 -0.30974843 0.56567818 0.57950068 Cu 18.51872656 18.51452445 18.51640239 -0.46032043 -0.18329612 -0.21461760 Cu 20.38183535 20.41540767 18.55279564 0.49371306 0.50823128 -0.50383339 Cu 20.37079034 18.56281178 20.39849153 0.54430427 -0.52367902 0.47299637 Cu 18.56531176 20.40281253 20.37502000 -0.62817592 0.52790889 0.52643434