1372 Lattice="25.217096303057588 0.0 0.0 0.0 25.217096303057588 0.0 0.0 0.0 25.217096303057588" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4231.753570540435 stress="-7.590868364674762 -0.7500508452859265 -1.2104775767858342 -0.7500508452859265 -7.342730143888275 -1.866470723267156 -1.2104775767858342 -1.866470723267156 -7.173328309411963" pbc="F F F" Cu 0.03291383 0.00329612 0.02673027 0.40665024 0.44955119 0.42886583 Cu 1.81395768 1.82920776 0.03454078 -0.09457553 -0.12118779 0.12767445 Cu 1.83175985 -0.02570665 1.78687201 -0.15522095 0.23440179 0.02551842 Cu -0.01638569 1.83901507 1.81731838 0.27122287 -0.18677745 -0.15412249 Cu 3.62119455 -0.01121860 -0.01210178 -0.10686968 0.41197237 0.30398711 Cu 5.44305824 1.78234161 -0.03070432 -0.10320268 0.05181938 0.23673793 Cu 5.41607506 -0.00165968 1.74559315 0.03478297 0.11423269 0.17245863 Cu 3.59179714 1.79651157 1.81859133 0.18236110 -0.13781066 -0.40636044 Cu 7.26467370 0.00809690 -0.01714145 0.01295685 0.32314793 0.36456856 Cu 9.03500500 1.82452044 -0.03181957 -0.10576933 -0.06233615 0.28734818 Cu 9.07108548 0.00338786 1.81156204 -0.12745516 0.15006972 -0.12469907 Cu 7.19157773 1.79762105 1.83404606 0.10391371 -0.25862347 -0.44244422 Cu 10.83829576 -0.00131960 -0.02244007 -0.01059430 0.39664486 0.34919911 Cu 12.63835839 1.82671134 0.01865404 -0.20282510 -0.19781125 -0.01850180 Cu 12.58297894 -0.00631062 1.83646502 0.12267732 0.10475659 -0.11175321 Cu 10.83877907 1.83051348 1.80872217 -0.19854948 -0.27996251 -0.24435394 Cu 14.42260239 -0.00210139 -0.00177876 -0.06775686 0.30318641 0.31391572 Cu 16.23241526 1.81019669 0.02297732 -0.04967259 -0.11766569 0.03677015 Cu 16.19106143 -0.02743362 1.82903624 0.14743229 0.19952831 -0.18301124 Cu 14.37685967 1.76342132 1.77338143 0.20622139 0.11845502 0.15064956 Cu 18.03394021 -0.03234366 -0.01623871 -0.11168546 0.43020904 0.42621936 Cu 19.79083972 1.83240798 -0.01012224 0.18329137 -0.24661325 0.11614660 Cu 19.78972213 -0.00258415 1.78140243 0.14517053 0.26924745 0.08184627 Cu 17.98918857 1.83307584 1.78566445 0.09384129 -0.38212265 -0.07343987 Cu 21.60231736 -0.03441344 -0.00340009 -0.09921768 0.49846901 0.48086064 Cu 23.38728689 1.78733534 0.01502581 -0.37671427 0.09444782 0.33968531 Cu 23.41901527 0.02401284 1.82549670 -0.34119914 0.31468794 -0.04384038 Cu 21.60721446 1.81174314 1.81405432 -0.04756824 -0.21069676 -0.24940402 Cu 0.01994993 3.63263015 -0.02503053 0.24006468 -0.11078690 0.38704009 Cu 1.77517212 5.38926175 -0.03321062 0.15604606 0.10879157 0.18152096 Cu 1.79856832 3.63424698 1.82127238 -0.11107462 -0.08747900 -0.34672259 Cu -0.03319841 5.43345489 1.79136743 0.18216574 -0.07202495 -0.11159045 Cu 3.63112519 3.57926656 -0.01384541 -0.11018438 0.07409124 0.15737035 Cu 5.40304716 5.41693321 -0.03546131 -0.06084002 -0.06966155 0.16495804 Cu 5.37573757 3.61104889 1.81609755 0.09490016 0.03440774 -0.37033869 Cu 3.54918123 5.43956766 1.78534900 0.27229133 -0.23324581 -0.13973508 Cu 7.17154119 3.63754419 0.02771441 0.06905508 -0.18476975 -0.02877140 Cu 8.98851510 5.43146703 -0.03285488 0.06802853 -0.20305865 0.13276655 Cu 8.97040316 3.57566330 1.79292372 0.31115692 0.06880114 -0.22341943 Cu 7.21960774 5.42017055 1.79762186 -0.06902849 -0.06643452 -0.10296338 Cu 10.82903383 3.62972752 -0.03183239 -0.17483546 -0.13422186 0.09082301 Cu 12.58596654 5.37089779 0.01065419 0.15139896 0.16815194 -0.05258836 Cu 12.57908265 3.60436375 1.80482015 0.26071767 -0.04833869 -0.09843612 Cu 10.79794941 5.38071925 1.79132872 0.02293076 0.14909667 -0.10447168 Cu 14.39477086 3.56820269 -0.00822443 0.13777131 0.16412954 0.11586920 Cu 16.23693537 5.42491662 -0.02021935 -0.20693001 -0.11234366 0.13820961 Cu 16.21911032 3.62113384 1.80578345 -0.18448048 -0.13323912 -0.36347229 Cu 14.38726989 5.41149878 1.78793461 0.09612928 -0.10827906 -0.26758302 Cu 18.05153332 3.61045691 -0.02239625 -0.17298250 0.15772302 0.13535181 Cu 19.82943858 5.43308723 0.01226489 -0.06643531 -0.08159752 0.07309157 Cu 19.78110948 3.58697297 1.80141300 0.21344500 0.19601430 -0.06087469 Cu 17.98985863 5.43830117 1.83444889 0.20208679 -0.17583733 -0.32658523 Cu 21.59409600 3.63556414 0.01278092 0.07848795 -0.06012425 0.11455041 Cu 23.42379042 5.46636211 0.01648164 -0.39773044 -0.09549430 0.31371999 Cu 23.38391949 3.62873158 1.79416556 0.04515804 -0.10961886 -0.17080129 Cu 21.60181760 5.42398295 1.83191234 0.05689054 0.08262095 -0.28524001 Cu 0.03233735 7.22989194 -0.01272661 0.15977561 -0.07072319 0.28006744 Cu 1.77874309 8.97937333 0.03425115 0.22589012 0.15655302 -0.04494189 Cu 1.80331695 7.20122278 1.80409479 -0.17075252 0.12269735 -0.20301576 Cu -0.01299407 9.04568373 1.78274495 0.10412079 -0.12689614 0.16179121 Cu 3.63209334 7.21854394 0.00790801 -0.30218422 -0.08909276 -0.08197115 Cu 5.37555086 8.98801619 0.00159467 0.23555344 0.08208318 -0.01729607 Cu 5.38801078 7.17293451 1.77988995 0.07132687 0.15500652 0.00430762 Cu 3.63061170 9.01365755 1.78782988 -0.10030880 -0.10818516 -0.03740148 Cu 7.20678201 7.18482104 0.00809266 -0.09358356 0.09294669 -0.05992061 Cu 8.99207077 8.97574227 0.01817826 -0.08408739 0.13237319 -0.06209820 Cu 9.00995092 7.20768816 1.78824199 -0.08289146 -0.12283572 -0.04751133 Cu 7.18886854 8.98303258 1.80297723 0.07070545 0.21939420 -0.18139324 Cu 10.79417986 7.18672006 -0.03187484 0.11108094 0.03361710 0.07941965 Cu 12.64292858 8.98743457 -0.02593735 -0.26606701 0.18243509 0.10786174 Cu 12.62905142 7.22951144 1.75642149 -0.26105482 -0.21359437 0.14995972 Cu 10.77838122 8.97983515 1.76702516 0.28566173 0.30313798 -0.03885810 Cu 14.39190893 7.24183158 0.02241080 0.17272488 -0.21626564 -0.13912216 Cu 16.23940570 9.00107433 0.00380061 -0.15721752 -0.08097462 -0.02447116 Cu 16.20070462 7.20293437 1.82601983 0.04836506 0.00374490 -0.30724568 Cu 14.43408662 9.00257502 1.78947607 -0.13677074 0.09997899 -0.05370668 Cu 18.02076741 7.17389658 0.04383592 -0.00151756 0.17288877 -0.10979941 Cu 19.82314943 8.97477470 -0.03238822 -0.10830095 0.17980323 0.13330781 Cu 19.81820114 7.22967533 1.80000606 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19.84290103 10.80353906 1.79724430 -0.26642150 -0.18325909 -0.27234746 Cu 18.04499114 12.57639133 1.78842280 -0.15283017 0.29269627 -0.06906296 Cu 21.60186625 10.81430102 0.01575353 0.11119130 -0.08673821 0.01483152 Cu 23.43715071 12.58923213 0.01309645 -0.35523513 0.00241302 0.26528050 Cu 23.44907961 10.79634720 1.78228454 -0.20915082 0.05359284 0.12320657 Cu 21.59155749 12.57957673 1.79909277 0.32877889 0.14091691 -0.11568441 Cu 0.01103542 14.43115246 -0.02495081 0.35245840 -0.13065505 0.31598281 Cu 1.82312167 16.21779214 0.00362624 -0.10942629 0.07975102 0.06026896 Cu 1.76841529 14.44354384 1.81252644 0.10010232 -0.29158243 -0.27266169 Cu 0.02826729 16.17909096 1.77756326 -0.09906498 0.27481626 0.08291527 Cu 3.56409617 14.38647459 -0.01826943 0.08535797 0.10712826 0.11754131 Cu 5.42709487 16.20513660 0.02268033 -0.24997954 0.07584068 -0.10318574 Cu 5.40766283 14.41930831 1.77406550 -0.16103963 -0.17961267 0.02677073 Cu 3.63788904 16.23816292 1.80116470 -0.26545399 -0.23074623 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0.08612018 0.05399796 0.07246242 Cu 19.84540907 14.44511033 1.79140214 -0.10661599 -0.27458572 -0.10004839 Cu 18.03104758 16.20053340 1.80540507 -0.09760724 0.09782934 -0.16584564 Cu 21.64775275 14.43162658 -0.00251440 -0.16740840 -0.21109143 0.01649898 Cu 23.39408702 16.19298462 -0.02663695 -0.19706513 0.07515423 0.28586852 Cu 23.36321303 14.38873166 1.78499726 0.09035999 0.14653340 0.06651776 Cu 21.60504619 16.21752994 1.75211035 0.13461961 0.04573423 0.13633442 Cu -0.02636414 18.03713990 -0.03046883 0.48883626 -0.05980813 0.48186347 Cu 1.79201293 19.82553071 -0.00495963 -0.05821235 -0.09028493 0.10658433 Cu 1.82613114 17.99743706 1.82232658 -0.56307422 0.11412558 -0.37255957 Cu -0.00141486 19.84068577 1.80336870 0.16912797 -0.07149372 0.03320819 Cu 3.57556517 18.04049339 0.01630726 0.06556115 -0.10502990 -0.10598649 Cu 5.38433603 19.80044297 -0.01836986 0.02583078 0.13798597 0.07960581 Cu 5.37740415 18.05352966 1.77115980 0.22503541 -0.24781450 0.16738639 Cu 3.56220130 19.78290276 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3.62054906 3.57051640 21.64329943 -0.24202465 0.20403047 -0.18138722 Cu 5.41473634 5.37299398 21.63190630 -0.15173614 0.20827394 0.04751580 Cu 5.43839921 3.60219566 23.40256573 -0.08410715 -0.11570600 0.11296607 Cu 3.57161523 5.37166092 23.40530760 0.18043233 0.17861425 0.00847836 Cu 7.24084477 3.62518567 21.64137192 -0.09868933 -0.34065304 0.10204869 Cu 8.97419882 5.44327722 21.60839876 0.21109492 -0.19981566 0.13344271 Cu 9.03370502 3.61646012 23.44719676 -0.07660415 -0.09548368 -0.11483747 Cu 7.22682658 5.39339315 23.40222544 -0.05733461 0.15648151 0.10798682 Cu 10.77548050 3.57684554 21.61589467 0.16254221 0.13958340 0.08111673 Cu 12.61718191 5.36119651 21.63117126 -0.22627090 0.29789572 -0.07770489 Cu 12.57131494 3.56797985 23.38664700 0.02957975 0.05201813 0.17678780 Cu 10.79766526 5.42422873 23.38209826 0.07888726 -0.12415783 0.07004379 Cu 14.37597491 3.60607567 21.67719739 0.25529614 -0.30725237 -0.25314623 Cu 16.18765955 5.37275499 21.66492908 0.23232456 0.09193251 -0.15727682 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0.10175329 0.21184326 Cu 16.24201248 7.23427743 23.39511922 -0.18257748 -0.16252957 0.12022460 Cu 14.37994394 8.98808658 23.43948352 0.21025839 0.05375002 -0.16301842 Cu 17.97973445 7.23370324 21.61086163 0.23618030 -0.38007981 0.15877376 Cu 19.80290634 8.98605944 21.60145883 0.16515231 0.20511204 0.23274917 Cu 19.78676080 7.17187345 23.42772567 0.04991716 0.07842587 -0.15526856 Cu 17.98819409 9.01961429 23.38532286 0.22814075 -0.02160002 0.06935694 Cu 21.58653968 7.22690292 21.58666656 0.40392744 -0.10874484 0.34669658 Cu 23.44795410 9.02101200 21.64181547 -0.19816461 -0.12621848 -0.01965702 Cu 23.43523656 7.17125478 23.38495018 -0.40677479 0.12507178 -0.32512134 Cu 21.56944334 9.01505077 23.44508521 0.18088727 -0.11912607 -0.26317328 Cu 0.04651136 10.84338573 21.64045107 -0.10347720 -0.10156399 -0.15275823 Cu 1.79431876 12.61049783 21.58603851 -0.09403300 -0.01934979 0.24675002 Cu 1.82788962 10.79975600 23.38160766 -0.04721821 0.12129053 0.13703699 Cu -0.02427890 12.60524340 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16.19760979 12.63325823 21.59089397 0.08741741 -0.12686537 0.29475514 Cu 16.22932658 10.77656952 23.39362297 -0.13457792 0.10713294 -0.04980749 Cu 14.43062846 12.60059632 23.40611783 -0.09001941 -0.01919320 -0.11078333 Cu 17.99038209 10.77731933 21.58090799 0.16324572 0.17051573 0.25159270 Cu 19.83083973 12.58023116 21.61967158 -0.01534634 0.13203965 0.15791157 Cu 19.78719154 10.82604923 23.43754081 0.09561398 -0.14348539 -0.20754361 Cu 18.03712371 12.59286420 23.36142508 -0.28174264 0.05703016 0.02401463 Cu 21.64292250 10.78265375 21.58992848 -0.09527965 0.02521661 0.33321820 Cu 23.40531157 12.58826267 21.59660993 -0.10992900 0.06688787 0.22196335 Cu 23.41791447 10.78277602 23.40722386 -0.31613930 0.06983503 -0.26090281 Cu 21.60633774 12.59124375 23.41078074 0.07684003 0.03453113 -0.14194751 Cu 0.03402757 14.41800212 21.57998969 -0.09009992 -0.13680320 0.22289934 Cu 1.81564551 16.20302703 21.60742093 -0.11305298 0.18420200 0.15086107 Cu 1.79387579 14.40075164 23.40803298 -0.15111653 0.07412173 -0.08589391 Cu -0.02695947 16.24509914 23.39006415 0.35245004 -0.12550502 -0.31657566 Cu 3.57539814 14.38437026 21.61027413 0.24766735 0.17095983 0.18863484 Cu 5.36943927 16.23082487 21.59529583 0.20490853 -0.12280098 0.34112557 Cu 5.43842914 14.45234793 23.44991274 -0.19039610 -0.04957942 -0.22609880 Cu 3.57387073 16.20922678 23.42103000 0.15147104 0.04106945 -0.11545741 Cu 7.21699876 14.40121798 21.64528712 -0.18628771 0.16224504 -0.03506385 Cu 9.03466046 16.21699374 21.64825081 -0.27109098 -0.03913459 -0.25354810 Cu 9.01462425 14.37954869 23.40114259 -0.16731863 0.10286277 0.15320287 Cu 7.23752344 16.23626895 23.43697618 -0.07881638 -0.09646113 -0.08863269 Cu 10.75804966 14.40893558 21.59036638 0.24833546 0.02474603 0.09671346 Cu 12.57763105 16.20736452 21.63657547 0.17126771 -0.10290293 -0.03781902 Cu 12.57555772 14.37488236 23.41681446 0.08904399 0.16122551 -0.06237628 Cu 10.76775256 16.21371074 23.38027031 0.16585722 -0.12030324 0.22241561 Cu 14.42023546 14.44419424 21.61125806 -0.19835214 -0.18166864 0.10393969 Cu 16.18594615 16.20194843 21.60984895 0.12403129 0.16597493 0.18845856 Cu 16.17609418 14.42799420 23.40902736 0.23430684 -0.15038718 0.03160737 Cu 14.41293095 16.18482620 23.40699840 -0.12455300 0.09239548 0.03933992 Cu 17.98894477 14.42955603 21.60998579 0.16443894 -0.05823278 0.29870347 Cu 19.82891073 16.18046182 21.59000694 -0.11406163 0.25930234 0.44564502 Cu 19.78034627 14.38952124 23.43931451 0.18953873 0.12543026 -0.17087277 Cu 17.97799995 16.21780326 23.45141253 0.12185125 -0.03618389 -0.21519854 Cu 21.59663640 14.41548549 21.59456126 0.22717122 -0.05402191 0.44013684 Cu 23.43599689 16.21591365 21.62026162 -0.19021126 0.04879210 0.00966249 Cu 23.40411123 14.42957448 23.41952309 -0.33467973 -0.11245991 -0.39339966 Cu 21.62902808 16.23326742 23.44977568 -0.07330863 -0.06457350 -0.28675892 Cu 0.02144608 18.03843049 21.64104655 0.05425492 -0.11431127 -0.16037680 Cu 1.80191268 19.83272156 21.60514975 0.10922204 -0.16756478 0.23225011 Cu 1.79416929 17.97912476 23.42085377 0.14310383 0.18716377 -0.17779555 Cu 0.02056636 19.79027565 23.40097980 0.23879359 0.04972744 -0.21736415 Cu 3.63325075 18.04603815 21.58288979 -0.28688522 -0.18894640 0.41304988 Cu 5.43062422 19.80766170 21.65616771 -0.11685845 0.21735672 -0.16879191 Cu 5.42900595 18.04062024 23.43882985 -0.17106710 -0.26048537 -0.03744691 Cu 3.62983429 19.81405108 23.43927053 -0.22663252 0.07053839 -0.15360925 Cu 7.20853747 18.00082523 21.65947191 0.05116427 0.07912314 -0.21134538 Cu 9.02326150 19.78540868 21.59859327 -0.20875317 0.26363770 0.24751798 Cu 9.02918463 18.01803216 23.40799857 -0.09279126 0.14351561 0.10590440 Cu 7.17795779 19.83544627 23.42298787 0.25818223 0.18201354 -0.07033136 Cu 10.79524068 17.98038304 21.60622887 0.19740350 0.33480852 0.10829269 Cu 12.60196764 19.83179749 21.60036975 0.01196154 -0.25123453 0.32008025 Cu 12.60912444 17.97662668 23.44336871 0.01412644 0.13619981 -0.13015165 Cu 10.84895322 19.78778640 23.40739548 -0.13505299 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23.42815833 21.64406711 -0.24156223 -0.16873289 -0.10485428 Cu 1.77500920 21.61348802 23.41125337 0.12591917 0.06730573 -0.14795449 Cu -0.01259773 23.45047605 23.39722508 0.44694085 -0.46382173 -0.45650917 Cu 3.60521766 21.62371448 21.58245739 0.06136419 -0.11736652 0.26463610 Cu 5.38062148 23.43067961 21.62661927 0.10739272 -0.11875758 -0.21629561 Cu 5.36488687 21.64776119 23.42429959 0.16917649 -0.13555232 -0.11539499 Cu 3.62942681 23.38166841 23.38748528 -0.15693120 -0.15773083 -0.13386221 Cu 7.18344702 21.66502603 21.59858010 0.21596919 -0.18243279 0.27379858 Cu 9.01746258 23.44357267 21.61702778 -0.02840275 -0.19484417 -0.03752313 Cu 9.05802599 21.64358144 23.39538039 -0.13814337 -0.14366481 -0.12323439 Cu 7.19895119 23.39400310 23.40778260 0.00639937 -0.25334284 -0.25139551 Cu 10.79488740 21.57957940 21.59158468 0.16190316 0.48383302 0.30583394 Cu 12.63919484 23.42857607 21.64370722 -0.09553957 -0.30908114 -0.12230596 Cu 12.62864866 21.57942703 23.45073154 -0.09250748 0.20268739 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