500 Lattice="18.47094163888373 0.0 0.0 0.0 18.47094163888373 0.0 0.0 0.0 18.47094163888373" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1294.0774019746978 stress="-7.886294014238228 0.3238435215860278 -1.3074136624174137 0.3238435215860278 -9.392543544558862 1.0508591957286626 -1.3074136624174137 1.0508591957286626 -7.898631663005499" pbc="F F F" Cu -0.00407172 0.00988249 0.02052371 -0.38306197 -0.35944899 -0.37440214 Cu 1.85313132 1.82949904 -0.01539951 0.26559542 0.70371130 -0.73431263 Cu 1.83188097 0.00336242 1.85159686 0.72150470 -0.79786001 0.61586463 Cu 0.01569816 1.84504532 1.85761873 -0.75993410 0.53532992 0.30823980 Cu 3.66808569 0.00987943 -0.01370416 0.31038333 -0.45449268 -0.32531749 Cu 5.57798048 1.84626943 -0.02567674 -0.44485289 0.68469196 -0.30248542 Cu 5.55515888 -0.00353809 1.86903560 -0.27577172 -0.50020442 0.36848724 Cu 3.67093613 1.86256115 1.85847852 0.44348581 0.32625010 0.50016843 Cu 7.35295175 0.02447919 -0.02484891 0.20684503 -0.68651913 -0.47746054 Cu 9.24612612 1.81723128 -0.01945662 -0.18270817 0.53604791 -0.55623598 Cu 9.20188167 -0.03608684 1.86814679 0.25986945 -0.42947084 0.30387292 Cu 7.40239093 1.81559387 1.85330111 -0.22380451 1.07471400 0.67655960 Cu 11.06195613 -0.01262204 -0.00357894 0.10151047 -0.56641961 -0.44112719 Cu 12.91173824 1.87154290 -0.00423760 0.16679688 0.15429190 -0.78861060 Cu 12.90311823 0.01334140 1.87377546 0.13076325 -0.62439894 0.27339107 Cu 11.11422674 1.82829148 1.81471407 -0.49122534 0.59692270 1.17173664 Cu 14.78278357 -0.01758507 0.00816129 -0.49797287 -0.36523752 -0.43127006 Cu 16.62603823 1.87279599 0.01675031 0.53831665 0.19038620 -0.55250386 Cu 16.64142003 -0.03358047 1.83941625 0.48447241 -0.35029624 0.42733342 Cu 14.77485465 1.85665659 1.85771574 -0.58077613 0.47766895 0.61305822 Cu -0.02724325 3.70982554 -0.00820095 -0.26708307 -0.07992450 -0.36761419 Cu 1.83174335 5.57249305 -0.01836477 0.50597379 -0.25325541 -0.53524786 Cu 1.87824645 3.68692469 1.83669977 0.25663320 0.20049981 0.64083751 Cu -0.03629169 5.51683056 1.86311357 -0.42680925 0.11725746 0.31343443 Cu 3.67771688 3.69940859 0.01078160 0.21609736 -0.00153863 -0.70937357 Cu 5.57278241 5.51169688 -0.00800264 -0.13375116 0.26643188 -0.43394825 Cu 5.51253033 3.72969838 1.85975834 0.28029898 -0.31970665 0.52401123 Cu 3.66425493 5.55875030 1.81131668 0.46063552 -0.14249854 0.99150208 Cu 7.38109873 3.71135418 -0.03651045 0.21288581 -0.12322499 -0.20621849 Cu 9.25772771 5.54045891 0.02966516 -0.29925070 -0.01656945 -0.62901929 Cu 9.23611463 3.65993360 1.81317378 -0.10170640 0.30593020 1.10494832 Cu 7.38366264 5.55373153 1.87784160 -0.04959413 -0.14470183 0.50184193 Cu 11.05349382 3.68822442 0.01849636 0.14562935 0.27669076 -0.72027212 Cu 12.95958358 5.53573033 0.03078297 -0.39856020 0.04386647 -0.75869717 Cu 12.89622738 3.68458643 1.81473664 0.13603244 0.30192989 1.22653657 Cu 11.09201697 5.57805352 1.86022304 -0.25465095 -0.49171926 0.87562798 Cu 14.77663550 3.69005339 0.02510446 -0.40304415 0.11410237 -0.62424820 Cu 16.61030808 5.54533472 -0.00940461 0.60340679 -0.18973872 -0.37572031 Cu 16.64927207 3.68448967 1.86879248 0.41406962 0.39879844 0.51784701 Cu 14.75177201 5.57631228 1.84198777 -0.32043544 -0.53436095 0.93106946 Cu 0.03345077 7.37678208 -0.00904364 -0.64734772 0.10047209 -0.30446926 Cu 1.85114440 9.21340634 0.01979917 0.52677078 0.00346183 -0.55040719 Cu 1.86512368 7.36837522 1.87743018 0.31664236 0.24403400 0.29326252 Cu -0.00731944 9.25446762 1.85598081 -0.40036853 -0.19298690 0.45079051 Cu 3.73042812 7.37127624 -0.02333094 -0.11143672 0.15452208 -0.48544155 Cu 5.57708054 9.20925794 -0.03598538 -0.35605781 0.29308305 -0.34460948 Cu 5.51363339 7.40955273 1.83986466 0.25893998 -0.39114025 0.76345065 Cu 3.68617147 9.25168583 1.85572410 0.12701320 0.00198541 0.53779523 Cu 7.38267633 7.41136751 0.01350011 0.01550508 -0.33002608 -0.52670713 Cu 9.24289588 9.20324446 0.02868432 -0.04596864 0.29835700 -0.60342651 Cu 9.21215255 7.37294632 1.81768908 0.08959989 0.19903899 1.35247458 Cu 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5.50919134 12.94762155 -0.00374940 0.28253730 -0.15440578 -0.30363885 Cu 5.56835716 11.08910786 1.85646081 -0.41975376 0.18381063 0.62788958 Cu 3.66018660 12.95701324 1.85267867 0.66030885 -0.26190273 0.68476948 Cu 7.38095564 11.06799741 -0.01004867 0.08466185 0.21956609 -0.38953281 Cu 9.25489923 12.90425044 0.00254252 -0.25939050 0.07422492 -0.46019744 Cu 9.27143002 11.09078649 1.82156882 -0.42440261 -0.21179742 1.14165123 Cu 7.41497447 12.95476544 1.88401367 -0.01950664 -0.32167236 0.19985615 Cu 11.10408570 11.07387273 0.00676201 -0.03659881 -0.01349966 -0.72281476 Cu 12.92476466 12.96780788 0.02761578 -0.03784660 -0.38036251 -0.81539672 Cu 12.93357307 11.05113418 1.82056596 0.03043557 0.41406566 1.01423088 Cu 11.10226142 12.91789794 1.83624857 -0.10761477 0.25150256 1.08234718 Cu 14.79567545 11.09539627 -0.03673671 -0.56056520 0.01076029 -0.54921374 Cu 16.65544104 12.95105527 -0.00331887 0.29970229 0.07295253 -0.36657804 Cu 16.63070873 11.07692637 1.83259804 0.51994675 0.11134205 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9.19855215 14.78304075 -0.06321777 0.01189143 -0.80413039 Cu 12.91991168 7.36404784 16.64438163 -0.15941961 0.18779309 0.33835882 Cu 11.08893871 9.25481357 16.62316689 -0.01246419 -0.23658351 0.57692183 Cu 14.78822918 7.36879334 14.77537652 -1.00484621 0.19714000 -0.64188710 Cu 16.61524556 9.25535354 14.79113513 0.56509153 -0.39677783 -0.71826835 Cu 16.63123008 7.35664779 16.64668036 0.48517779 0.18923322 0.41649348 Cu 14.74572588 9.18749230 16.62845324 -0.34010495 0.18712497 0.67936386 Cu 0.03665569 11.08402004 14.80695648 -0.68786787 -0.31231376 -0.78061508 Cu 1.85452326 12.95234427 14.75263496 0.55197123 -0.17708793 -0.25340526 Cu 1.86590608 11.06663605 16.61375498 0.52476753 0.19681690 0.71747628 Cu -0.02276860 12.90007342 16.61473320 -0.28985875 0.13523260 0.51791068 Cu 3.68508251 11.06993612 14.77756210 0.17835654 0.00793314 -0.52030119 Cu 5.51794338 12.91919504 14.74058962 0.49595281 -0.31516021 -0.20759635 Cu 5.51434128 11.06963187 16.65126048 0.25937247 0.07116333 0.27442542 Cu 3.72146761 12.95330704 16.59053405 -0.28224718 -0.25604352 0.67041421 Cu 7.40656039 11.04787016 14.75720836 -0.19923252 0.35793999 -0.54450254 Cu 9.24598791 12.90433593 14.74280161 -0.18249285 0.29321877 -0.44700325 Cu 9.23156553 11.07825546 16.58801104 -0.05031314 0.13116696 0.71631070 Cu 7.39857790 12.96498720 16.65579421 -0.13973330 -0.26000176 0.11887081 Cu 11.09101776 11.11452640 14.80541913 0.13017423 -0.21370145 -0.83056796 Cu 12.96220550 12.95043911 14.78569614 -0.25605930 -0.26081084 -0.59411022 Cu 12.88124545 11.06107319 16.65226796 0.30089664 0.09353374 0.40564160 Cu 11.10774626 12.95881136 16.62751656 -0.26664912 -0.20852314 0.43663407 Cu 14.76670142 11.04140544 14.79962727 -0.84429362 0.08952679 -0.74991923 Cu 16.62379377 12.92376393 14.78667891 0.50172270 0.03613451 -0.41630476 Cu 16.66030891 11.03694062 16.60589184 0.33381347 0.13626543 0.62545598 Cu 14.76146447 12.88335621 16.60984989 -0.30684816 0.13059122 0.72372282 Cu 0.00858925 14.77934326 14.79192141 -0.98592380 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16.63823556 0.23031777 -0.51357292 0.73821419 Cu 11.06366310 16.58750885 16.60481119 0.18563032 0.77886127 0.64351356 Cu 14.76566465 14.79174419 14.77976797 -0.24956401 -0.82568336 -0.40149623 Cu 16.64832658 16.64496384 14.75424300 0.44175917 0.49843756 -0.23058846 Cu 16.61629863 14.80899277 16.63647588 0.51532502 -0.60231010 0.43700784 Cu 14.77587465 16.59921820 16.63954094 -0.36212394 0.68350721 0.53736047