108 Lattice="10.601413748200205 0.0 0.0 0.0 10.601413748200205 0.0 0.0 0.0 10.601413748200205" Properties=species:S:1:pos:R:3:forces:R:3 energy=-328.25444747733815 stress="-0.007099847979078613 -0.0004891527462669452 -8.769506151693451e-05 -0.0004891527462669452 -0.007214564322818936 -0.0005856684884886682 -8.769506151693451e-05 -0.0005856684884886682 -0.006748821740588392" pbc="F F F" Cu 0.02158979 0.00906247 0.01167893 0.48761875 0.44155289 0.50259012 Cu 1.74444371 1.76290651 0.00900124 0.04771117 -0.06880278 -0.32590583 Cu 1.78038367 0.03331585 1.79391029 -0.21366650 -0.50136293 -0.29089831 Cu 0.01866899 1.77316766 1.75441441 -0.41170986 -0.14494484 -0.04613981 Cu 3.51215436 0.00688526 0.01773552 -0.05712236 0.19092569 0.17578128 Cu 5.30051353 1.71878008 0.00088918 -0.14320535 0.23588768 -0.37929317 Cu 5.26697060 0.03321923 1.77749254 0.19450731 -0.59807646 -0.15177709 Cu 3.52604049 1.78158551 1.78695132 0.10097261 -0.06076598 -0.36941867 Cu 7.01241241 0.01316818 0.00193321 0.21911101 0.12377992 0.30954426 Cu 8.80701155 1.73367428 0.01543701 -0.33317966 0.06273576 0.27982100 Cu 8.81003330 0.00893189 1.77515601 -0.24749274 0.25758203 -0.18204516 Cu 7.03260282 1.77154477 1.74451007 0.35974183 -0.30287868 -0.01755237 Cu 0.02922260 3.56730256 0.01630546 0.12725796 -0.14547215 0.10717243 Cu 1.76125985 5.31668062 0.02372079 0.10859110 -0.20481243 -0.36874862 Cu 1.78675617 3.50578527 1.78231538 -0.16171411 0.17541830 -0.23362088 Cu 0.02997843 5.27735242 1.76595536 -0.53075225 0.10194845 -0.05382336 Cu 3.55384651 3.50740842 0.00083603 -0.10026629 0.06218270 -0.32290901 Cu 5.29675073 5.32708722 0.02803000 0.02616819 -0.11899545 -0.52661457 Cu 5.32320219 3.54106049 1.75974874 -0.26436355 -0.25178490 -0.07741806 Cu 3.56052579 5.27140052 1.77611199 -0.32869427 0.10722821 -0.07669211 Cu 7.04891923 3.54441526 0.02668836 0.21317904 -0.09368745 -0.55674786 Cu 8.83238201 5.33591289 0.02652038 -0.14047512 -0.12331808 0.15197317 Cu 8.80129090 3.52120795 1.77605292 0.43854007 -0.06112903 -0.13821610 Cu 7.06890691 5.28941222 1.75426581 0.10699636 0.23989092 0.11176873 Cu 0.03229301 7.06725637 0.01574474 0.17129905 0.09459990 0.31271280 Cu 1.73467252 8.84916587 0.03064106 0.07371038 -0.39263407 0.30433752 Cu 1.74893928 7.03804215 1.78192108 0.07002381 0.43030122 -0.14856162 Cu 0.02131439 8.85811672 1.80056158 0.30365615 -0.41089723 -0.02435093 Cu 3.52134053 7.03566578 0.01667982 -0.07155528 0.37497641 -0.35926827 Cu 5.32573466 8.86106566 0.00820281 0.08234814 -0.39966546 0.27287226 Cu 5.26671750 7.07187730 1.76999357 0.38186191 0.15441350 -0.02973406 Cu 3.54611273 8.82996588 1.71636834 -0.15118149 0.25621325 0.18689347 Cu 7.07163194 7.04695660 0.01237863 0.10019819 0.40351284 -0.15014479 Cu 8.84424260 8.82568678 0.00818802 -0.57545560 -0.58560015 0.57246319 Cu 8.85616978 7.06185557 1.78206885 0.24093687 0.13363619 -0.24029250 Cu 7.10298035 8.82345741 1.80133442 -0.07930812 0.20219463 -0.39753772 Cu 0.00902570 0.01986923 3.55880562 0.11522624 0.13225277 -0.11450929 Cu 1.77101037 1.73346159 3.51985372 -0.15247787 0.24893652 0.31492734 Cu 1.73874104 0.03164118 5.34049228 0.03871649 -0.59404911 -0.23839843 Cu 0.00337379 1.76458190 5.30577438 -0.29766455 0.07075595 0.08119447 Cu 3.55493565 0.02444272 3.52706604 -0.22021105 -0.57653935 0.24826203 Cu 5.28675225 1.73589887 3.52314217 0.11133984 0.29620952 0.22711849 Cu 5.32367711 0.02166619 5.31149452 -0.14143323 -0.47087896 -0.16300379 Cu 3.50486645 1.74473917 5.32915924 0.23626649 0.24772826 -0.27368134 Cu 7.11321941 0.01237769 3.51908712 -0.24866225 -0.36164150 0.15595097 Cu 8.80319816 1.73341639 3.55072116 0.43493584 0.09530730 -0.12715046 Cu 8.86454574 0.01681721 5.32572067 -0.32815815 0.20390937 0.01893819 Cu 7.04067543 1.79609882 5.31706243 0.38711711 -0.32576942 -0.23212758 Cu 0.00097264 3.52737114 3.52349427 -0.39339488 -0.11117576 0.05020159 Cu 1.73355404 5.28814479 3.53074570 0.21794568 0.09389676 -0.09411737 Cu 1.75612590 3.56292301 5.27120258 -0.11506525 -0.42167865 0.25458382 Cu 0.00578531 5.33099159 5.30558256 -0.47579443 -0.24375538 -0.06605173 Cu 3.53163532 3.54249168 3.52883948 0.05574330 -0.27589538 0.16040879 Cu 5.31175738 5.25915113 3.53027715 -0.04155911 0.32811054 -0.09985942 Cu 5.31541234 3.54497481 5.30400827 -0.18325248 -0.17646681 -0.08071462 Cu 3.50532601 5.27158363 5.29597356 0.20485408 0.34127980 -0.16152710 Cu 7.05089743 3.49176215 3.50828322 0.20548696 0.17711268 0.21348918 Cu 8.81390580 5.30459133 3.54133417 0.35725371 -0.11630573 -0.03426310 Cu 8.84589789 3.51309207 5.28075710 0.15268591 0.02289943 0.08079270 Cu 7.03442778 5.31593579 5.27994767 0.45759890 -0.35450323 0.12613022 Cu 0.00139917 7.05674406 3.54832367 -0.40921866 0.24516593 -0.14990486 Cu 1.78254608 8.80315741 3.55029373 -0.07523552 0.41803704 -0.19433814 Cu 1.76010017 7.06309358 5.28177152 0.06663833 0.27731683 0.23670137 Cu 0.00824678 8.86162165 5.28628136 0.25877932 -0.32326496 0.08873918 Cu 3.52334906 7.05177210 3.52629226 0.06993801 0.00760628 -0.02830821 Cu 5.32181267 8.80608159 3.56051275 -0.03382119 0.39724080 -0.23449370 Cu 5.31934611 7.03355883 5.26790003 -0.29310077 0.27454079 0.14909736 Cu 3.56325985 8.81649150 5.29156608 -0.16914512 0.25544321 0.22502841 Cu 7.08925824 7.05837062 3.51604187 -0.02046351 0.13467077 0.05442783 Cu 8.84152513 8.81424901 3.51439492 -0.17671564 -0.20143540 0.23098180 Cu 8.83918986 7.04488828 5.32927163 0.22332703 0.24553838 -0.07280254 Cu 7.06191410 8.81462630 5.34493218 0.10708483 0.26440057 -0.17409075 Cu 0.00677219 0.00359854 7.07643159 0.26915837 0.30216308 0.13206625 Cu 1.78636455 1.74188393 7.06300819 -0.43641707 0.28404349 0.35803649 Cu 1.78009536 0.00600958 8.86251362 -0.11344728 0.26679456 -0.37336454 Cu 0.00233329 1.73879775 8.85065854 0.36297926 0.04709798 -0.45349868 Cu 3.52577537 0.00094947 7.07250280 0.13480823 -0.40513332 0.18772379 Cu 5.31404370 1.76991444 7.05011349 -0.35545522 -0.10976864 0.38528561 Cu 5.29019676 0.01965702 8.85480233 0.05420817 0.23938801 -0.31877241 Cu 3.51056018 1.74609005 8.84088295 0.16395502 0.15777993 0.16751439 Cu 7.03997951 0.01570962 7.03570599 0.28425127 -0.41872178 0.36887517 Cu 8.80061120 1.73900289 7.08691207 0.45336302 0.10657316 -0.01114840 Cu 8.85182782 0.01725353 8.81027593 -0.57159618 0.43816582 -0.49119611 Cu 7.07110840 1.76908908 8.80866121 0.04405157 -0.26493439 0.47067303 Cu 0.00311213 3.56368438 7.05958135 -0.20992249 -0.29297737 0.06230185 Cu 1.77570868 5.32268206 7.06047229 -0.09061674 -0.22682596 0.19991709 Cu 1.73582530 3.51049993 8.82503543 0.10129571 -0.01935513 0.17228600 Cu 0.01825049 5.27622618 8.81406475 0.10316731 0.12185565 -0.10911672 Cu 3.55313328 3.55858866 7.03952845 -0.25074056 -0.32565624 0.34785655 Cu 5.28425727 5.32534793 7.05232320 0.18301565 -0.28277728 0.14041113 Cu 5.31829945 3.54063591 8.81525616 -0.10938473 -0.10191483 0.35636933 Cu 3.53490521 5.27300050 8.83857906 -0.17211010 0.04168041 0.34476712 Cu 7.06470062 3.50309354 7.07736864 0.16892145 0.36245447 -0.09250366 Cu 8.81391255 5.26625503 7.04578813 0.31870053 0.02844100 0.09326659 Cu 8.80562014 3.54409070 8.86098655 -0.08420924 -0.13659370 -0.24880627 Cu 7.09563384 5.28256685 8.80892051 -0.17885261 0.12545200 0.34969830 Cu 0.01574729 7.03459682 7.03666503 -0.32090005 0.50876505 0.34141603 Cu 1.74507080 8.85213396 7.09810864 -0.06028993 0.01158053 -0.14631910 Cu 1.74210911 7.05455303 8.83635726 -0.08480817 0.14764539 0.20915836 Cu 0.00835975 8.85590183 8.84833198 0.54406691 -0.62532939 -0.58957695 Cu 3.53793482 7.03707137 7.06727656 -0.24295469 0.34830464 -0.04257589 Cu 5.26595007 8.81420926 7.11423430 0.13407541 0.26949639 -0.15061876 Cu 5.27848136 7.04156855 8.81849159 0.13454096 0.09775273 0.49059566 Cu 3.48974147 8.79965144 8.82288273 0.00970410 -0.16472798 -0.06980614 Cu 7.03910237 7.04584588 7.05390367 0.32467999 0.31412232 0.30839495 Cu 8.81324192 8.85131760 7.05121737 -0.36494707 -0.43550118 0.19559940 Cu 8.80102260 7.04109776 8.80693106 -0.25790882 0.16395319 -0.36877980 Cu 7.03151839 8.81249665 8.84828037 0.14576625 -0.38244484 -0.41398029