1372 Lattice="25.100857057599946 0.0 0.0 0.0 25.100857057599946 0.0 0.0 0.0 25.100857057599946" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4546.662091476904 stress="-0.00480225646303289 0.00012346456762579166 -6.725106619771284e-05 0.00012346456762579166 -0.004786344770221641 -0.0001643757372838893 -6.725106619771284e-05 -0.0001643757372838893 -0.004833851354835068" pbc="F F F" Cu 0.02182483 0.01643980 0.00446536 0.49092663 0.55394231 0.51701722 Cu 1.76011644 1.81684335 0.01624976 0.12709721 -0.18232809 -0.04461898 Cu 1.75724256 0.00789557 1.77881624 0.10883652 -0.03486249 -0.05164246 Cu 0.01301294 1.79552358 1.82340529 -0.13461469 -0.12278857 -0.23122149 Cu 3.58606354 0.03035436 0.02225498 -0.10193259 0.23266294 0.25630843 Cu 5.36930858 1.76550956 0.01150810 0.04105750 0.09732078 -0.09883908 Cu 5.35129277 0.00828587 1.82479273 0.16665796 -0.19214851 -0.19868704 Cu 3.61941994 1.79851729 1.78490464 -0.26419315 -0.13974150 -0.12032329 Cu 7.14401471 0.00246868 0.03519617 0.08698116 0.35083683 0.33594909 Cu 8.99011698 1.79327716 0.03392831 -0.16312510 -0.08756179 -0.11522018 Cu 8.94513686 0.04016495 1.81045174 0.12088293 -0.12748611 -0.09858762 Cu 7.14287049 1.79955237 1.81895670 0.13764861 -0.09103627 -0.20230374 Cu 10.73443306 0.00473659 0.00016054 0.03020310 0.34804875 0.40141680 Cu 12.56242727 1.76002446 0.01156502 -0.15885228 0.14358738 -0.08079444 Cu 12.53192399 0.00248530 1.78391861 0.03836197 -0.11413387 0.05922141 Cu 10.77977712 1.79942014 1.81464016 -0.13301738 -0.06570162 -0.22610752 Cu 14.31853422 0.01968117 0.02408441 0.16723460 0.23015891 0.29210893 Cu 16.15332513 1.79096649 0.01207228 -0.11890970 -0.10436257 -0.03679395 Cu 16.18827341 0.02123958 1.81546538 -0.19410082 -0.14075191 -0.16216875 Cu 14.31513964 1.75986288 1.79733076 0.24118071 0.03758141 -0.10777975 Cu 17.94778310 0.00746744 0.00244952 -0.00215649 0.39905928 0.35075807 Cu 19.74196922 1.82040258 0.03503219 -0.09668364 -0.18242662 -0.14355525 Cu 19.70691724 0.01233666 1.77173999 0.16864172 0.05899382 0.12465762 Cu 17.90496680 1.81143523 1.81866101 0.28931001 -0.16586848 -0.20413637 Cu 21.52584083 0.01894685 0.01165215 -0.09320221 0.41889767 0.43682707 Cu 23.30449301 1.76437448 0.00760510 -0.38188545 0.12807832 0.39206067 Cu 23.29829186 0.03393754 1.80094968 -0.36232465 0.37564599 0.12933333 Cu 21.54979800 1.82092648 1.81592370 -0.06387217 -0.34971766 -0.17257773 Cu 0.01469616 3.56517706 0.01725525 0.28283621 0.05901159 0.35271926 Cu 1.76804722 5.39264921 0.02564635 0.16872545 -0.09001136 -0.06949472 Cu 1.82449113 3.55274545 1.80654513 -0.29711473 0.28581599 -0.19319544 Cu 0.00642866 5.38762698 1.77547630 -0.05765294 -0.13385647 0.02441128 Cu 3.57966061 3.59560774 0.03212123 0.03388037 -0.03502343 -0.19271444 Cu 5.38124011 5.37008845 0.03041457 -0.00803465 0.08838536 -0.13408734 Cu 5.39720133 3.57237640 1.80948225 -0.13209115 0.11998677 -0.08500388 Cu 3.60983891 5.36902743 1.82047384 -0.10250733 0.10969614 -0.31305350 Cu 7.16397928 3.55138206 0.02303923 0.00109618 0.04198335 -0.22836529 Cu 8.94631053 5.39305289 0.03162609 0.02442790 0.00075585 -0.27095286 Cu 8.95005407 3.58958234 1.77457916 0.06470702 -0.12185356 0.16093176 Cu 7.18826276 5.35863996 1.77034401 -0.23711583 0.12705093 0.08037793 Cu 10.74725557 3.57967195 0.01854919 0.14635793 -0.04911702 -0.12285697 Cu 12.56622642 5.34674482 0.02545503 -0.08076010 0.11708069 -0.04898034 Cu 12.59652503 3.57493578 1.82339646 -0.21709052 0.07846169 -0.24359168 Cu 10.74210560 5.34935211 1.76431690 0.27138001 0.12891520 0.20123605 Cu 14.33689148 3.55680490 0.01128593 0.13031397 0.07814452 -0.09519272 Cu 16.16929654 5.40248885 0.01103474 -0.24138885 -0.10375992 -0.09904313 Cu 16.13512206 3.56964995 1.80507397 -0.07556442 0.10967466 -0.21819438 Cu 14.37463278 5.36095701 1.80985517 -0.08073717 0.08481397 -0.05933438 Cu 17.89798579 3.58350035 0.02645397 0.14873036 0.03779051 -0.19129709 Cu 19.70413601 5.41134458 0.01512906 0.13371324 -0.08896724 -0.03459024 Cu 19.71908330 3.57004253 1.76117343 -0.11200575 0.21195209 0.10632415 Cu 17.89942855 5.40807820 1.78311102 0.17233009 -0.15909890 0.10598729 Cu 21.52406213 3.56385389 0.02528699 0.09687433 0.18827326 -0.11892332 Cu 23.31956014 5.40617912 0.03280354 -0.37769234 -0.07803107 0.33923675 Cu 23.31824530 3.57177430 1.80915641 0.12326591 0.01649592 -0.16088141 Cu 21.54158952 5.35920054 1.81924199 -0.08614571 0.19989334 -0.42899328 Cu 0.00404421 7.16347603 0.00438476 0.34783970 0.06145236 0.33427491 Cu 1.80414459 8.96581476 0.01281107 -0.11050556 -0.11305767 -0.10700122 Cu 1.80321885 7.14147482 1.81662022 -0.12968354 0.20156072 -0.31745125 Cu 0.01671862 8.98504905 1.74558708 -0.07883581 -0.16320651 0.25853719 Cu 3.58839054 7.20542057 0.01871264 0.07824476 -0.20771059 -0.10150029 Cu 5.40792809 9.00767253 0.02541510 -0.23721737 -0.14776045 -0.18924241 Cu 5.39547774 7.18556721 1.82313094 -0.12652333 -0.09958047 -0.26348463 Cu 3.56488965 8.94077598 1.80277263 0.19225838 0.15346417 -0.17022386 Cu 7.14747579 7.21675231 0.03574894 0.06508674 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0.14039664 0.07397697 -0.19396351 Cu 17.90152567 8.93399706 1.78556774 0.22366675 0.21353628 0.18111812 Cu 21.54440406 7.20897486 0.03664957 -0.08377040 -0.12214774 -0.08047921 Cu 23.33407516 9.00503270 0.01604221 -0.34166332 -0.03044205 0.31438847 Cu 23.29560777 7.20598442 1.78057570 0.12855328 -0.05377476 0.07941886 Cu 21.52057947 8.99983245 1.78396390 0.08614383 -0.14743428 0.01146251 Cu 0.00264206 10.73932595 0.02171247 0.32598534 0.07860992 0.22048780 Cu 1.76150088 12.56829686 0.02609420 0.12073055 -0.06430116 -0.10922442 Cu 1.79608284 10.73606351 1.79754197 -0.09174666 0.12894387 -0.05909927 Cu 0.02779212 12.52049185 1.81048427 -0.21456861 0.09211358 -0.04384934 Cu 3.53970350 10.76630590 0.02258098 0.14066007 -0.04692751 -0.24960577 Cu 5.37556638 12.54247873 0.01041711 0.00201801 0.11792560 -0.07864399 Cu 5.34435524 10.74789796 1.76239279 0.11659309 0.07425352 0.22955656 Cu 3.58230359 12.54260442 1.77187972 -0.13072813 0.10972087 0.17065640 Cu 7.15089334 10.78961931 0.02820312 0.15272893 -0.21463984 -0.18022621 Cu 8.93509830 12.54280809 0.01392795 0.18658642 0.11484351 -0.12246338 Cu 8.94458588 10.72545682 1.76596835 0.11063311 0.14838707 0.10842486 Cu 7.19605758 12.57852339 1.79234287 -0.22169213 -0.08955834 -0.08506703 Cu 10.73067551 10.72548536 0.03434499 0.17518760 0.14125233 -0.13684107 Cu 12.57760214 12.57597627 0.01841897 -0.12889394 -0.25764219 -0.11166850 Cu 12.56625948 10.72220918 1.79582980 -0.11071788 0.35855157 -0.08382541 Cu 10.73995665 12.57037632 1.80061327 0.12582108 -0.22874408 -0.16918136 Cu 14.36771662 10.72304506 0.03551819 -0.07090875 0.17523153 -0.13221608 Cu 16.13799834 12.55962834 0.03632062 -0.06174358 -0.16054608 -0.16523121 Cu 16.15640204 10.72661050 1.81114063 -0.19173172 0.25346020 -0.13042193 Cu 14.34359988 12.57691457 1.79943590 0.09540896 -0.33326362 -0.07363448 Cu 17.92478835 10.73715758 0.02938175 -0.01249414 0.11677686 -0.21795879 Cu 19.74629413 12.51885627 0.02889497 -0.16543888 0.12035016 -0.25499367 Cu 19.70592475 10.73229536 1.76663634 0.18748656 0.13879716 0.19012914 Cu 17.96156091 12.51754407 1.82333734 -0.22813898 0.17196965 -0.19355643 Cu 21.51479040 10.75706757 0.01682578 0.13540812 0.01764138 -0.09091628 Cu 23.33867864 12.60502938 0.01904241 -0.35170137 -0.12794674 0.30200303 Cu 23.32296667 10.78052514 1.79816848 0.02988906 -0.07061474 -0.04119046 Cu 21.54593823 12.57859277 1.76289967 -0.07008592 -0.20442080 0.19635082 Cu 0.01612573 14.32015870 0.02792617 0.22546214 0.09339099 0.22153787 Cu 1.81617198 16.16430655 0.01209732 -0.09292339 -0.07493610 -0.09986920 Cu 1.76799869 14.36931312 1.77817880 0.11481292 -0.12390444 0.07168132 Cu 0.00071334 16.12735196 1.76472274 -0.06864906 0.09309083 0.06452665 Cu 3.60922033 14.36907022 0.02098629 -0.11923088 -0.08840507 -0.13779495 Cu 5.41454907 16.13665802 0.02836246 -0.22693187 0.12753204 -0.10815712 Cu 5.34911584 14.33945767 1.82725060 0.18960382 0.03357858 -0.18581003 Cu 3.55471007 16.12639652 1.80773844 0.19456346 0.19661489 -0.12134960 Cu 7.17504400 14.37505165 0.00103766 -0.17225686 -0.22446779 -0.11466831 Cu 8.93074275 16.10699791 0.01838822 0.16076918 0.24269327 -0.20297879 Cu 8.94207769 14.37902180 1.77101286 0.16643278 -0.19998421 0.18263482 Cu 7.15453566 16.13772199 1.77193283 0.06187873 0.10823688 0.29116823 Cu 10.76973662 14.37609697 0.02662734 -0.02562275 -0.09796450 -0.10342417 Cu 12.56467588 16.16538064 0.01641702 -0.12770808 -0.05499519 -0.05495366 Cu 12.58607160 14.30969911 1.77135861 -0.23958943 0.40718775 0.14395844 Cu 10.72427750 16.15926684 1.81579407 0.27221623 -0.15395008 -0.06939644 Cu 14.33409798 14.38518447 0.01466719 0.10616494 -0.11643503 -0.16583056 Cu 16.10373565 16.16230480 0.02118749 0.21065685 -0.10701249 -0.20697721 Cu 16.16068972 14.31921685 1.78467707 -0.28146035 0.08548111 0.08200126 Cu 14.36641252 16.16916564 1.78591101 -0.22046769 -0.25165866 0.20755096 Cu 17.89604552 14.33394984 0.01102104 0.14504028 0.00022384 -0.13629880 Cu 19.73811422 16.11036889 0.02670670 -0.11532986 0.14322771 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0.18441572 -0.22480929 Cu 7.20190201 17.93960533 0.00815895 -0.12602843 -0.04567686 -0.08432729 Cu 8.97821703 19.70433957 0.02813967 -0.04116731 0.22831800 -0.23710670 Cu 8.99539118 17.95528890 1.79148206 -0.39789059 -0.26123990 0.10041174 Cu 7.14278249 19.74651471 1.76115678 0.16286021 -0.27954013 0.18552425 Cu 10.72531766 17.93316443 0.00710277 0.07692085 -0.12599904 -0.16950735 Cu 12.51653895 19.71067535 0.02976199 0.09572071 0.08335051 -0.21306572 Cu 12.52529606 17.96187051 1.76695518 0.10093944 -0.24710214 0.16122449 Cu 10.74690708 19.70556414 1.82278020 0.15619754 0.24481456 -0.21965152 Cu 14.35012097 17.93341376 0.00185397 -0.10185065 0.05637222 -0.16325492 Cu 16.11881934 19.70539799 0.01284459 0.20055236 0.10504524 -0.07987832 Cu 16.11187178 17.90937803 1.79836999 0.24655243 0.21014435 0.07188926 Cu 14.36567238 19.70277373 1.78112183 -0.10929845 0.15776691 0.07823480 Cu 17.94242193 17.92422544 0.03145815 -0.05641779 -0.04368273 -0.07657303 Cu 19.74222871 19.69680682 0.03512234 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1.76934170 -0.13255331 0.07501058 0.13727850 Cu 7.15362729 21.50594434 0.01928806 0.07143238 0.11910965 -0.16210328 Cu 8.92209459 23.29472215 0.02153402 0.11789555 -0.31345247 0.27460372 Cu 8.97467841 21.49543890 1.79365554 -0.14862185 0.23855975 -0.15461063 Cu 7.19989958 23.31851058 1.80269296 -0.15945115 -0.02096553 -0.04598506 Cu 10.77618493 21.54406054 0.02558207 -0.09296949 -0.11916115 -0.09312469 Cu 12.55878597 23.29283261 0.01444475 0.03741917 -0.22644790 0.31697961 Cu 12.58513938 21.53781174 1.78111889 -0.19608171 -0.11143410 0.10776685 Cu 10.74987249 23.27247966 1.79150715 0.00684322 0.18192614 0.04332575 Cu 14.30835847 21.49633542 0.02968485 0.23235302 0.09099246 -0.16531668 Cu 16.13939618 23.31991369 0.00073414 -0.01254364 -0.36437443 0.30703336 Cu 16.16025624 21.54114263 1.78477114 -0.06828098 -0.17524783 -0.11376206 Cu 14.40079176 23.30888991 1.79111475 -0.19053125 0.15842846 -0.12954547 Cu 17.92020300 21.54252596 0.02853445 0.11852165 -0.07385955 -0.08653630 Cu 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0.08449737 0.09128674 Cu 0.00220821 23.27505143 23.32284184 0.65132285 -0.56875172 -0.60167392 Cu 3.55336647 21.49444326 21.52869995 0.26397689 0.15699765 -0.16277947 Cu 5.38560762 23.27930386 21.48551657 -0.07172891 0.12499503 0.13352933 Cu 5.34362360 21.55913523 23.27545811 0.04868042 -0.16469273 0.18644636 Cu 3.55375969 23.27536840 23.30115629 0.03030212 -0.20391584 -0.30937523 Cu 7.14168577 21.50863530 21.54573148 0.37080482 0.23029912 -0.09089273 Cu 8.99220927 23.32822879 21.54923283 -0.13641311 -0.14561150 -0.21781336 Cu 8.99528993 21.56447531 23.34252429 -0.11727768 -0.23652780 -0.08407046 Cu 7.20852188 23.27390358 23.33871909 -0.10295173 -0.27048778 -0.39976548 Cu 10.78227955 21.53253827 21.55070787 -0.10634951 0.08761085 -0.23275510 Cu 12.52820663 23.31119398 21.57166555 0.09470328 -0.01801856 -0.18777254 Cu 12.52035188 21.48227525 23.31323643 0.26837463 0.19420305 -0.00839190 Cu 10.72818943 23.33776810 23.33275851 0.11018650 -0.35669865 -0.30252644 Cu 14.36020732 21.52806323 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