500 Lattice="17.848433835407874 0.0 0.0 0.0 17.848433835407874 0.0 0.0 0.0 17.848433835407874" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1620.5774340506796 stress="-0.004514531366605253 5.170247001349668e-05 -0.00019094748320267477 5.170247001349668e-05 -0.00440131016831032 0.00023273255570808757 -0.00019094748320267477 0.00023273255570808757 -0.004600325991652541" pbc="F F F" Cu 0.01611040 0.02683964 0.02814772 0.41955211 0.41987823 0.41630347 Cu 1.79093457 1.79917202 0.02447612 -0.15045702 -0.19108114 -0.19637650 Cu 1.75597681 0.00128027 1.80952147 0.09167053 -0.12403115 -0.33781324 Cu 0.03251796 1.81723720 1.77095728 -0.32185866 -0.21147968 -0.11855168 Cu 3.57999262 0.01862524 0.00750458 -0.05699334 0.21738795 0.23867735 Cu 5.38704036 1.79071198 0.01976855 -0.16081146 0.06882072 -0.11031180 Cu 5.38664272 0.00186284 1.75075205 -0.26908228 -0.08865947 0.19217387 Cu 3.56230940 1.79911659 1.77016918 0.21774210 -0.17552909 0.15339888 Cu 7.13643195 0.01748861 0.01198965 0.07393737 0.03010351 0.08745475 Cu 8.89077100 1.76247650 0.00113699 0.15717635 0.12067874 -0.08002504 Cu 8.95282286 0.00864459 1.78537703 -0.16953993 -0.21277254 -0.13971878 Cu 7.15267455 1.77525082 1.80734086 -0.04139581 0.13817191 -0.16455803 Cu 10.71008189 0.00144442 0.00580428 -0.04070430 0.14561938 0.13844986 Cu 12.47858571 1.75493655 0.03132063 0.02844612 0.27755050 -0.30510969 Cu 12.52027840 0.01681886 1.75600787 -0.18364527 -0.30461667 0.20581734 Cu 10.71663494 1.75946090 1.80010518 -0.13791608 0.30951822 -0.12551491 Cu 14.27625039 0.02059552 0.01268649 0.03858239 0.09157709 0.03559166 Cu 16.04125387 1.76325593 0.01071711 -0.23488048 0.19437532 0.24279356 Cu 16.03428353 0.00074284 1.74678850 -0.13682591 0.22553777 0.13064922 Cu 14.27521515 1.78578805 1.78365735 0.28483185 0.22297399 -0.04234695 Cu 0.01478534 3.59629641 0.02698951 0.07212644 -0.10039068 0.03025637 Cu 1.78800577 5.32064953 0.01597594 0.01115139 0.23006466 -0.34043283 Cu 1.78283871 3.60123930 1.80790157 -0.15124719 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-0.19432157 -0.08899057 Cu 16.06708312 5.35891457 0.02494615 -0.28684291 -0.00839367 0.13010305 Cu 16.08176781 3.59596697 1.80543142 -0.07983042 -0.12385274 -0.18403278 Cu 14.24719947 5.36740936 1.78277047 0.32661147 -0.13730891 -0.10895805 Cu 0.02009300 7.12544738 0.01420803 0.15044834 0.07080410 0.09572031 Cu 1.78007504 8.90530160 0.00166774 0.13148959 -0.02290868 -0.04213151 Cu 1.81265251 7.11982704 1.78137833 -0.10276989 0.18038654 0.10923058 Cu 0.01435326 8.93742533 1.77078337 -0.01704167 -0.06367349 0.10640486 Cu 3.60877700 7.10770246 0.02119090 -0.17146635 0.08806906 -0.19298096 Cu 5.33815645 8.94641289 0.00243441 0.11345339 -0.23323684 -0.31315399 Cu 5.38200750 7.16719578 1.76394539 -0.18976445 -0.46670574 0.29330608 Cu 3.58140367 8.89454846 1.81863718 -0.13811861 0.17074140 -0.12264540 Cu 7.17144783 7.11208104 0.03520323 -0.15744709 0.15396689 -0.39191098 Cu 8.90807479 8.92881106 0.00152397 0.09990334 -0.07335852 -0.15508839 Cu 8.94637388 7.13867823 1.79307746 -0.15992171 0.07961854 0.12452291 Cu 7.11012028 8.90428004 1.77209730 0.42666116 0.14367871 0.22398307 Cu 10.68339011 7.12107453 0.00136055 0.17066215 0.22166191 -0.14167930 Cu 12.46830286 8.95564014 0.01941749 0.07707965 -0.30990710 -0.11916406 Cu 12.47834215 7.11618074 1.80007581 -0.13302939 0.35006338 -0.08792622 Cu 10.68456264 8.94790729 1.76555054 0.16509069 -0.25310673 0.25090515 Cu 14.26861439 7.19713763 0.01792626 0.01331362 -0.17317294 -0.13815679 Cu 16.06959126 8.92018106 0.02116296 -0.20366737 0.10492612 0.22276172 Cu 16.04534906 7.11484652 1.76267882 0.20183540 0.16321029 0.10833138 Cu 14.27814419 8.95120234 1.80318242 0.05827331 -0.23210874 -0.10765381 Cu 0.01878283 10.67787209 0.00409297 0.25272276 0.16220581 0.18080188 Cu 1.80196372 12.54655861 0.02502160 -0.06725140 -0.21403571 -0.22173234 Cu 1.82472786 10.73937187 1.76364028 -0.18218717 -0.20206640 0.03334795 Cu 0.01297641 12.48991446 1.77840732 -0.12446365 0.01279125 -0.14185445 Cu 3.57356763 10.68338103 0.00151695 -0.12531107 0.10796415 -0.16994872 Cu 5.32858750 12.50312496 0.01860182 0.26354474 -0.17259353 -0.32170046 Cu 5.35998245 10.67569973 1.75360310 -0.08112661 0.28395704 0.35973669 Cu 3.60190460 12.50506843 1.76410930 -0.35013568 -0.18248108 0.24532590 Cu 7.16453882 10.68933072 0.00582955 -0.24163640 0.11599059 -0.18648838 Cu 8.89597395 12.47257343 0.02278859 0.28029717 0.20466918 -0.35484830 Cu 8.94418333 10.73359827 1.75469674 -0.17609630 -0.29440293 0.46664314 Cu 7.16568293 12.51005377 1.77116247 -0.30199585 -0.20815448 0.22536999 Cu 10.73753946 10.69943094 0.03146540 -0.21144954 0.11067728 -0.39215168 Cu 12.46840002 12.48130622 0.03164252 0.17696381 0.20457887 -0.40677711 Cu 12.52845026 10.72584038 1.78937127 -0.33795760 -0.14147530 0.17898041 Cu 10.73764369 12.49491360 1.76154762 -0.40247773 0.06405744 0.23468171 Cu 14.24795918 10.69502033 0.01128414 0.33636299 0.00963139 -0.27562499 Cu 16.08673769 12.46784800 0.03225573 -0.20031772 0.02585963 0.18882230 Cu 16.06154535 10.71884763 1.81304661 0.19929870 -0.13180846 -0.21279650 Cu 14.27655478 12.45752014 1.75722634 0.24016407 0.27369502 0.29523829 Cu 0.01260072 14.26522941 0.00305899 0.25889223 0.15941015 0.30071412 Cu 1.77513935 16.09294270 0.03364039 -0.01420193 -0.33090107 0.22836876 Cu 1.78798191 14.30475843 1.80358416 0.05810871 -0.14953132 -0.15770514 Cu 0.01861223 16.05983695 1.80298349 0.07536200 -0.20242667 -0.15228509 Cu 3.58157259 14.30248789 0.03333280 -0.18999359 0.13477016 -0.36353496 Cu 5.32239284 16.08312208 0.01809358 0.18998090 -0.21672634 0.22161035 Cu 5.32461241 14.25847662 1.76214139 0.43983738 0.43329805 0.26541464 Cu 3.57494635 16.07481414 1.78242121 -0.01709332 0.11785634 0.15482283 Cu 7.14027429 14.27985655 0.01599793 -0.09766002 0.24527626 -0.19839638 Cu 8.95293640 16.09315695 0.00869074 -0.12516523 -0.20769740 0.20389525 Cu 8.89495816 14.31017526 1.76610274 0.42644104 -0.19594213 0.10405104 Cu 7.15509898 16.07246288 1.81716129 -0.23804233 0.10059914 -0.33750269 Cu 10.68845350 14.29404679 0.00800400 0.06067498 -0.02804999 -0.07954307 Cu 12.49592354 16.04928006 0.02360616 0.04523793 -0.24610022 0.07791878 Cu 12.51652576 14.26039116 1.80954518 -0.09271974 0.24466794 -0.42611341 Cu 10.73291788 16.08248252 1.76292826 -0.09162796 0.03409696 0.04934501 Cu 14.31432710 14.24479718 0.03364717 -0.08756768 0.17304987 -0.23624529 Cu 16.06116520 16.04101623 0.02821627 -0.37680744 -0.31240731 0.31678271 Cu 16.05792692 14.33138851 1.77969219 0.11423501 -0.24532715 0.06498712 Cu 14.26511475 16.08509811 1.75553082 0.16938720 0.07296403 0.06121737 Cu 0.00917956 0.02942684 3.53875949 0.12145739 0.15297432 0.12576413 Cu 1.78115907 1.80785916 3.53790976 0.05886620 -0.19226395 0.21782409 Cu 1.80841806 0.01361331 5.36035368 -0.15782627 -0.06817705 -0.04310377 Cu 0.03299005 1.76446021 5.35579970 -0.15161260 0.07662551 0.05827436 Cu 3.54288177 0.01609372 3.56198402 0.19869184 -0.15836592 -0.15647424 Cu 5.38014987 1.77814699 3.58975063 -0.21252202 0.07182430 -0.27846745 Cu 5.34060187 0.00741212 5.34841476 0.09616043 -0.15400043 0.10780848 Cu 3.58715583 1.77883986 5.31196194 -0.14470077 0.03838551 0.24696408 Cu 7.15588847 0.01164459 3.53564216 -0.14497074 -0.39593587 0.12652395 Cu 8.90214169 1.75845400 3.60462048 0.20570376 0.33649848 -0.52122785 Cu 8.93095019 0.02205760 5.32330925 -0.11352994 -0.53242851 0.20359636 Cu 7.16829265 1.76706053 5.32541124 -0.36805903 0.17804752 0.39924555 Cu 10.68954668 0.02586745 3.54168403 0.37045125 -0.27757277 0.15277203 Cu 12.52378576 1.82843337 3.55204077 -0.16381731 -0.29799171 0.24166643 Cu 12.52471373 0.00700555 5.34618822 -0.18336755 -0.04732344 -0.08830584 Cu 10.68184985 1.76877148 5.33192820 0.54182916 0.07298227 0.13000017 Cu 14.27009529 0.01396236 3.53419074 0.18212502 -0.15413107 0.11819838 Cu 16.08265526 1.79516776 3.58070469 0.07781451 -0.10255473 -0.16823792 Cu 16.06017070 0.03512503 5.37046533 -0.08234750 -0.01303210 -0.11686240 Cu 14.31313881 1.76166123 5.33730702 -0.38381426 0.20802514 0.02667469 Cu 0.00572143 3.53750355 3.57354720 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-0.11887891 -0.14786108 Cu 12.50948040 7.11921312 16.06648632 -0.06440352 0.08446139 0.14451388 Cu 10.70512494 8.95200728 16.03350019 0.09695190 -0.19880450 0.35229814 Cu 14.28421654 7.13181971 14.28248558 -0.12451370 -0.07032081 0.03332266 Cu 16.03160181 8.94790257 14.27668475 0.19741889 -0.08000739 0.13976577 Cu 16.03437837 7.12409770 16.07047748 -0.18910787 0.07571926 -0.23668883 Cu 14.24449676 8.91655496 16.08845951 0.28158498 -0.02844458 0.07825518 Cu 0.00054609 10.67490369 14.32614690 -0.10012851 0.15521149 -0.18570614 Cu 1.75126320 12.48665041 14.27902139 0.24210610 -0.18019883 -0.03634588 Cu 1.77743851 10.69697851 16.09321251 0.08873870 0.11927389 -0.03784910 Cu 0.00794385 12.51097608 16.04863135 0.08300299 -0.07966696 -0.11066291 Cu 3.58662433 10.74078461 14.24610939 -0.18976265 -0.28564004 0.38457947 Cu 5.38699477 12.49196152 14.27405346 -0.14956183 0.12351902 0.01488374 Cu 5.36704854 10.69163633 16.03890158 -0.17558707 0.12510535 0.15108086 Cu 3.56063087 12.50718532 16.06997443 0.11953018 -0.11595120 -0.03132542 Cu 7.16896961 10.68593399 14.26565396 -0.08992293 0.12540675 0.11272702 Cu 8.95421529 12.50733885 14.25412753 -0.09987691 -0.19024157 0.25203476 Cu 8.90378239 10.69873800 16.05918947 0.10533364 0.16365297 0.09346658 Cu 7.12530243 12.49618598 16.02838982 0.15200452 -0.10792253 0.30955141 Cu 10.70671725 10.67417446 14.27643542 0.00712923 0.35414457 0.14432532 Cu 12.50392409 12.47356074 14.26140210 -0.18196070 0.19236084 0.25148333 Cu 12.50724131 10.69460478 16.08498850 -0.14096149 0.20980849 0.08512363 Cu 10.72057819 12.52915297 16.07834056 -0.13245756 -0.30911732 -0.04485949 Cu 14.26601464 10.72707735 14.30632377 0.21699008 -0.16887862 -0.27181934 Cu 16.06014136 12.52468267 14.28775590 0.28538094 -0.27335247 -0.11737705 Cu 16.06160849 10.67503434 16.05037831 -0.16624391 0.07345996 -0.13514683 Cu 14.31119362 12.47366821 16.03130343 -0.11622946 0.19089121 0.33724768 Cu 0.00548305 14.28153800 14.26178356 -0.12626177 0.19530602 0.25823960 Cu 1.79116777 16.06137333 14.26667491 -0.23869141 0.10021770 0.25618587 Cu 1.78075705 14.24634188 16.03128413 -0.14465243 0.42300730 0.20395449 Cu 0.01480115 16.08464599 16.05569543 0.57617430 -0.59563614 -0.58167212 Cu 3.54434919 14.26665383 14.24921877 0.41696255 0.07864439 0.31112291 Cu 5.37107436 16.09598030 14.25928164 -0.09248583 -0.25452918 0.15131908 Cu 5.35640479 14.29198924 16.09612302 -0.08468999 0.14299397 -0.19602125 Cu 3.53967570 16.07259776 16.03764961 0.09131339 -0.31572783 -0.26411832 Cu 7.16703365 14.24563655 14.30314187 -0.19585083 0.40100836 -0.27877332 Cu 8.95600481 16.05638352 14.30835697 -0.24207776 0.13423638 -0.11101035 Cu 8.91333715 14.29439007 16.07802481 0.10391273 -0.03795263 0.13972515 Cu 7.15578284 16.08103149 16.04025478 -0.08127121 -0.22595580 -0.19209752 Cu 10.68293697 14.27501101 14.25905595 0.29425209 0.13745896 0.09856342 Cu 12.52800170 16.04292543 14.31345712 -0.14916736 0.04481404 -0.10482561 Cu 12.46424643 14.26069928 16.04032275 0.25244587 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