1372 Lattice="25.69698066709021 0.0 0.0 0.0 25.69698066709021 0.0 0.0 0.0 25.69698066709021" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-3875.1736868907537 pbc="F F F" Cu -0.00085412 -0.00967855 -0.01256887 29 -0.31271869 -0.33163983 -0.30033193 Cu 1.83421665 1.83687684 0.03471433 29 0.51444572 0.50639704 -1.25867621 Cu 1.86964441 0.01611714 1.81459321 29 0.22638666 -1.04604084 0.77017996 Cu -0.00278210 1.85555606 1.80942012 29 -1.05962560 0.18516332 0.76654792 Cu 3.69993014 0.03135719 0.02443006 29 -0.12249451 -0.80228313 -0.70567382 Cu 5.47782999 1.80694598 -0.02065055 29 0.47964279 0.78923095 -0.55136764 Cu 5.53256166 0.02893862 1.83307279 29 -0.20692488 -0.72578889 0.53252129 Cu 3.65120230 1.86693742 1.85148250 29 0.41722455 0.44233245 0.81574441 Cu 7.37644741 -0.01285572 0.01323907 29 -0.12967480 -0.44560707 -0.57042433 Cu 9.19144722 1.83532822 0.00358524 29 -0.15655464 0.83854460 -0.77755323 Cu 9.18133110 0.02076607 1.83266875 29 0.01394816 -0.92449194 0.56475277 Cu 7.35129965 1.86540024 1.85708657 29 -0.31144444 0.77666537 0.44507718 Cu 11.00269279 0.02171750 -0.00815268 29 0.11015401 -0.51005576 -0.58371376 Cu 12.86249551 1.87350651 0.03586653 29 -0.33849633 -0.00611953 -0.94789656 Cu 12.81180641 -0.00624879 1.82259965 29 0.22562867 -0.59923745 0.60202850 Cu 10.98691902 1.85261424 1.87131177 29 0.30533736 0.48621722 0.27971970 Cu 14.69595029 -0.02073567 0.02990413 29 -0.20587872 -0.65685364 -0.57333695 Cu 16.47969240 1.80040661 -0.03506842 29 0.30823989 0.80050857 -0.59522556 Cu 16.54021949 -0.01730068 1.85368045 29 -0.04384900 -0.46340295 0.59618729 Cu 14.66046277 1.84306541 1.81408942 29 0.29632293 0.40667198 1.21607316 Cu 18.34078288 0.00742775 -0.02960491 29 -0.00887074 -0.61951945 -0.48500765 Cu 20.16589645 1.82021581 -0.00542637 29 0.20674949 0.69525514 -0.71620999 Cu 20.19675056 -0.01478555 1.81678484 29 -0.16604815 -0.70976938 0.43768043 Cu 18.34828302 1.86494207 1.80623860 29 -0.14183143 0.50528824 0.94295603 Cu 21.99784039 0.00646566 -0.03459245 29 -0.11422262 -0.55340720 -0.42503476 Cu 23.85406067 1.83746879 0.01771572 29 0.58640649 0.36703402 -0.60693345 Cu 23.88138358 0.00240176 1.87220891 29 0.52367295 -0.67060175 -0.00038761 Cu 22.02210626 1.86065375 1.85023367 29 -0.76774550 0.22193187 0.16913073 Cu 0.00312486 3.68922261 -0.00616250 29 -0.81279113 -0.22267685 -0.87868125 Cu 1.80565508 5.47128874 0.00336347 29 0.91806960 0.34095506 -0.70232046 Cu 1.80379203 3.65576880 1.81350698 29 1.18433873 0.44656553 1.18415715 Cu -0.02569738 5.47328518 1.80409181 29 -0.78422100 0.49824588 0.80251188 Cu 3.70326605 3.65701110 0.00707405 29 -0.32169461 0.19579362 -0.66164436 Cu 5.47617135 5.48680141 -0.01764033 29 0.27021873 0.19647902 -0.54823157 Cu 5.47078413 3.70261712 1.84834630 29 0.43962220 -0.41143471 0.78276655 Cu 3.70488710 5.53220904 1.85960730 29 -0.35105581 -0.47179299 0.48902828 Cu 7.29743299 3.68773599 -0.00859511 29 0.08982523 -0.35797087 -0.60264678 Cu 9.15377619 5.47020459 0.01204055 29 0.28437389 0.11447981 -0.65913477 Cu 9.16573748 3.65733316 1.85157076 29 0.21901280 0.32009589 0.60278666 Cu 7.35326319 5.47962323 1.81168071 29 -0.18756880 0.28863363 1.03992541 Cu 11.04503914 3.68491561 0.02529562 29 -0.37620767 -0.08839846 -0.62780300 Cu 12.83593666 5.48037227 -0.00287086 29 0.28163271 0.29476285 -0.57962498 Cu 12.83910922 3.64559716 1.85943501 29 0.21459006 0.45966875 0.73851845 Cu 11.04920799 5.54174834 1.82323525 29 -0.46606366 -0.13073353 0.95899704 Cu 14.66030622 3.63579658 -0.01655792 29 0.24771543 0.52832304 -0.70514050 Cu 16.54819107 5.51668533 0.02183639 29 -0.42741618 -0.18817268 -0.96405068 Cu 16.50505942 3.68661806 1.80037051 29 0.08758268 -0.22479589 1.05467038 Cu 14.70940213 5.48907310 1.81306585 29 -0.37857920 0.17867373 0.98070510 Cu 18.38770355 3.68416804 -0.02986597 29 -0.30242365 -0.02959723 -0.56095097 Cu 20.20327354 5.49816976 -0.00221386 29 -0.28213887 0.25760420 -0.80647593 Cu 20.22060649 3.69647248 1.81328432 29 -0.55708122 -0.28144326 0.93507319 Cu 18.34103486 5.51289008 1.84121321 29 0.13592156 -0.18217300 0.69393143 Cu 22.02267732 3.69582099 0.01206536 29 -0.19159659 -0.20559301 -0.92904527 Cu 23.89557860 5.54176198 -0.01858903 29 0.36686847 -0.32327033 -0.42829569 Cu 23.87016971 3.63478252 1.89536411 29 0.86197242 0.51227522 -0.24891019 Cu 22.00503990 5.47425529 1.81666846 29 -0.22685192 0.32507596 0.84283941 Cu -0.02981023 7.35497203 -0.00952820 29 -0.34881267 -0.01167605 -0.31184270 Cu 1.86401139 9.13598721 -0.00788633 29 0.38512963 0.11143931 -0.51816522 Cu 1.86888380 7.31133951 1.86786100 29 -0.05854338 0.31061707 0.16333703 Cu -0.02987526 9.20508076 1.85025162 29 -0.42411972 -0.34361685 0.37301279 Cu 3.69731373 7.28581915 0.00367584 29 -0.24238867 0.15457666 -0.58147655 Cu 5.45326578 9.14942832 -0.00200097 29 0.14792570 0.18135307 -0.60978081 Cu 5.53893135 7.37485719 1.84087442 29 -0.12252509 -0.27987069 0.70409469 Cu 3.64688124 9.17133780 1.85040451 29 0.25704349 -0.03297011 0.53771618 Cu 7.32265126 7.32279738 0.01285473 29 0.05752636 0.20024624 -0.68480155 Cu 9.19545190 9.16429056 0.02524616 29 -0.45400409 0.26974059 -0.86828499 Cu 9.17765300 7.36664671 1.80584459 29 -0.13207538 -0.42378702 1.35796816 Cu 7.31725058 9.20200662 1.87166701 29 0.40726252 -0.20749524 0.24839394 Cu 10.98467316 7.35102814 -0.00769006 29 0.26572670 -0.22975257 -0.72495426 Cu 12.85235223 9.15717497 0.02048631 29 -0.37203563 0.28604675 -0.97633495 Cu 12.88069928 7.37446146 1.80543810 29 -0.30627604 -0.37814859 1.02533264 Cu 10.98569259 9.20614853 1.80482722 29 0.33301767 -0.11014919 1.32781222 Cu 14.66449014 7.37635133 -0.02575287 29 0.20522149 -0.42470228 -0.63136328 Cu 16.53446810 9.14593729 -0.01822373 29 -0.01761434 0.27123490 -0.56858493 Cu 16.52413165 7.35527300 1.80081883 29 -0.37562863 0.22481769 1.29804002 Cu 14.66339648 9.20860622 1.81498208 29 0.55453226 -0.16471657 0.94739742 Cu 18.32215275 7.31570215 0.02422986 29 0.49784122 0.19362491 -0.79393938 Cu 20.17654400 9.16457756 0.00242176 29 -0.19314872 0.20067886 -0.69620029 Cu 20.20219775 7.33256993 1.80609003 29 -0.40729930 0.07740348 1.11407264 Cu 18.39514885 9.21110330 1.83197684 29 -0.37167649 -0.40613607 0.91029298 Cu 22.00555558 7.36104995 0.02656933 29 -0.33947937 -0.32660767 -1.09018673 Cu 23.82901961 9.19180396 -0.00139359 29 0.75751221 -0.00652130 -0.60341350 Cu 23.85222654 7.30201192 1.81602702 29 0.87396919 0.19271314 0.58617115 Cu 22.04470521 9.14229782 1.81188066 29 -1.04581223 0.68908449 0.89233321 Cu 0.00499074 10.99800336 0.02295442 29 -0.47708865 -0.05274936 -0.65168370 Cu 1.80850781 12.84879287 0.00839742 29 0.52903638 -0.07325125 -0.85800392 Cu 1.85287984 11.00942728 1.86076956 29 0.47354526 -0.15878598 0.28714160 Cu 0.03102361 12.82924776 1.84566618 29 -0.84919254 0.14439553 0.46709562 Cu 3.65538138 11.04729508 -0.00195479 29 0.04344571 -0.26374642 -0.72561499 Cu 5.49191822 12.88033796 0.01805217 29 0.17101283 -0.25317415 -0.71422327 Cu 5.47131061 11.00572542 1.81878775 29 0.25387883 0.11756293 0.70574128 Cu 3.64805374 12.83659759 1.81491426 29 0.15554274 0.44452992 0.96405094 Cu 7.30737221 10.98412607 -0.02827320 29 0.00554632 0.14648521 -0.47197199 Cu 9.18285864 12.84699048 -0.02034412 29 -0.44496194 0.23088038 -0.55757429 Cu 9.14299739 11.04948286 1.79979617 29 0.14023756 -0.22312309 1.19841669 Cu 7.30205439 12.85588867 1.87113404 29 0.20639668 -0.24109152 0.39143029 Cu 11.00237827 11.04435239 0.00183954 29 0.14252258 -0.26280453 -0.80830370 Cu 12.88533150 12.81513181 -0.02262266 29 -0.26912892 0.35927370 -0.44064766 Cu 12.85898633 11.00867922 1.80058530 29 -0.22970668 0.19479162 1.04987393 Cu 10.99254169 12.85561891 1.80452122 29 0.24894379 0.01013456 1.05845578 Cu 14.68312363 10.98157890 -0.01635893 29 0.20573494 0.06552283 -0.63308389 Cu 16.50229639 12.81551878 -0.02746073 29 0.26476122 0.28979972 -0.37355787 Cu 16.54358030 10.99619669 1.83033999 29 -0.31718822 0.13553692 0.82813845 Cu 14.70703189 12.88058956 1.82001676 29 -0.06329300 -0.53871382 0.80442680 Cu 18.32016653 11.02923435 -0.01000285 29 0.22753499 -0.13100179 -0.73426241 Cu 20.20414105 12.81571938 -0.03518054 29 -0.28394764 0.24213149 -0.53562493 Cu 20.13502066 11.04258273 1.84738254 29 0.50119276 -0.30864919 0.47676350 Cu 18.38177648 12.83787371 1.85652705 29 -0.36690714 0.30844287 0.41452623 Cu 21.99155531 11.00696228 -0.00634788 29 -0.35130943 -0.02261542 -0.63173023 Cu 23.89029278 12.86130861 -0.01784376 29 0.38646470 0.03505245 -0.52565045 Cu 23.84132097 11.05043500 1.83080082 29 0.82462707 -0.35268049 0.42855152 Cu 22.04816402 12.82355392 1.82868081 29 -1.00409476 0.33041622 0.49459993 Cu -0.03362854 14.65446601 -0.00958873 29 -0.55474336 0.12162579 -0.57565595 Cu 1.81738554 16.54381820 0.01288950 29 0.71062191 -0.13041081 -0.87590020 Cu 1.80878576 14.70955547 1.80353291 29 0.89337376 -0.26356885 1.07044617 Cu -0.02472298 16.48458286 1.84302530 29 -0.83404977 0.10020412 0.36594266 Cu 3.64644786 14.65476993 -0.00449029 29 0.16289149 0.40577145 -0.59395640 Cu 5.52407641 16.53237014 -0.02354103 29 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16.49438980 20.14391487 -0.01175042 29 0.17812535 0.24800997 -0.51254440 Cu 16.53779072 18.32103170 1.85163972 29 -0.65647165 0.28907947 0.37017254 Cu 14.66253851 20.22084151 1.82259484 29 0.29137239 -0.62080380 1.46758736 Cu 18.34985047 18.35196926 -0.01160055 29 0.12494806 0.09167131 -0.73425600 Cu 20.21741434 20.20014716 -0.03630836 29 -0.28051897 -0.22264372 -0.41511093 Cu 20.15470612 18.39223999 1.85197147 29 0.32681155 -0.23305126 0.47338685 Cu 18.33677007 20.16240911 1.83018548 29 0.01955574 0.33637004 0.63548481 Cu 22.00657303 18.34647701 -0.01478015 29 -0.30301835 0.14433622 -0.54230746 Cu 23.86511188 20.20143579 0.00257894 29 0.65649611 -0.27155731 -0.71719815 Cu 23.84907660 18.38281337 1.83498797 29 0.76886863 -0.23903353 0.40925136 Cu 22.04178120 20.19573987 1.84167856 29 -0.94069184 -0.09935699 0.68269133 Cu -0.01830618 22.05770352 -0.02883370 29 -0.69712600 -0.79009064 -0.59123567 Cu 1.83498069 23.83321605 0.01595359 29 0.39383690 0.88788439 -0.96811536 Cu 1.80446502 22.01172393 1.80820949 29 1.04241426 -0.79093318 0.93588457 Cu 0.02875676 23.83405306 1.81992789 29 -0.76427832 0.89719868 0.63883599 Cu 3.65374479 22.02174381 -0.01602223 29 0.28929186 -0.69303845 -0.55186979 Cu 5.52754012 23.85605576 -0.00727000 29 -0.33406892 0.58877166 -0.55194651 Cu 5.51062336 21.99737733 1.85476200 29 -0.36469837 -0.21657280 0.47185481 Cu 3.64592461 23.87386455 1.80829121 29 0.38796167 0.52156909 0.76447271 Cu 7.31122787 22.05538354 0.00431710 29 0.33386249 -1.01277190 -0.66508548 Cu 9.15914336 23.83269950 -0.02340626 29 0.18119677 0.57641754 -0.50424580 Cu 9.20226579 22.04562259 1.85764685 29 -0.39246013 -0.74021282 0.42721265 Cu 7.32004649 23.87400375 1.81594711 29 0.17767648 0.70351688 0.77357531 Cu 11.02280711 22.00353803 -0.01076605 29 0.04519000 -0.29974054 -0.66183727 Cu 12.85797032 23.85294235 -0.00592625 29 -0.15036518 0.62454681 -0.50043998 Cu 12.86077893 22.00042240 1.79969380 29 -0.56092781 -0.49410790 1.21318549 Cu 10.99207408 23.89026551 1.86686703 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