108 Lattice="10.639602273770812 0.0 0.0 0.0 10.639602273770812 0.0 0.0 0.0 10.639602273770812" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.5926799379955 stress="-0.005241908751844064 -1.3029218909298295e-05 -0.0001914648281836546 -1.3029218909298295e-05 -0.005666736003052965 0.0008314146289081335 -0.0001914648281836546 0.0008314146289081335 -0.005750426166608402" pbc="F F F" Cu 0.01173361 0.00049112 0.00852875 0.44623090 0.48741986 0.44412414 Cu 1.78212693 1.79198111 0.03282921 -0.09243541 -0.19780896 -0.34634458 Cu 1.73925300 0.00328727 1.74668137 0.18290135 -0.24139219 0.05992052 Cu 0.02609100 1.75513212 1.79076167 -0.33241410 0.10050863 -0.20226829 Cu 3.55566831 0.00058909 0.01711570 -0.13262229 0.15747332 0.15923855 Cu 5.29372617 1.74197283 0.02701874 0.21934819 0.12838627 -0.39331918 Cu 5.30066312 0.01070109 1.77736428 0.24657626 -0.40258207 -0.02999882 Cu 3.56776266 1.79281992 1.79463734 -0.24939569 -0.36299756 -0.25363352 Cu 7.11134625 0.02287018 0.01723778 -0.13166339 0.19877105 0.18856203 Cu 8.88161187 1.75684123 0.00129685 -0.29543266 0.16027295 0.28530633 Cu 8.85172813 0.02788742 1.74843333 -0.10528177 0.13247201 0.09920896 Cu 7.09736495 1.76975541 1.79880499 0.08560990 -0.08884999 -0.32654725 Cu 0.04295999 3.56546771 0.00742760 0.02513131 -0.16797876 0.09425170 Cu 1.76478147 5.30547275 0.01542664 0.09236501 0.12735728 -0.39753447 Cu 1.78516843 3.57395909 1.78850871 -0.25303651 -0.30724625 -0.14208078 Cu 0.02267946 5.29467725 1.76025765 -0.48841314 0.11426787 0.12050876 Cu 3.53396598 3.52290335 0.03089107 0.10063211 0.15652515 -0.44351985 Cu 5.29151751 5.32784710 0.01230627 0.17597312 -0.14864445 -0.27669811 Cu 5.31941978 3.51373109 1.78166650 0.03697874 0.31335401 -0.11613142 Cu 3.52310342 5.34369786 1.79193517 0.31519182 -0.24687411 -0.20169310 Cu 7.11755885 3.55398696 0.02741872 -0.11182347 -0.13827173 -0.30437352 Cu 8.85361859 5.30782619 0.01486061 -0.08114604 0.00608472 0.18293093 Cu 8.88892356 3.52140015 1.80691164 0.24957252 0.08461248 -0.21806011 Cu 7.11844811 5.28644963 1.79526720 -0.08593326 0.16813373 -0.21668981 Cu 0.01401571 7.08459062 0.02773362 0.17154968 -0.00674924 0.17847126 Cu 1.74142199 8.87148428 0.02340150 0.21035637 -0.28513224 0.23869506 Cu 1.75672798 7.07686911 1.78572438 -0.04611220 0.28650386 -0.25675231 Cu 0.03321149 8.88783508 1.76627001 0.15577033 -0.23674105 0.08125225 Cu 3.54860977 7.09053487 0.01350892 -0.08091572 0.12465825 -0.26077216 Cu 5.30281940 8.87350623 0.00132670 0.10989646 -0.30835939 0.24962630 Cu 5.32119047 7.06034677 1.78850119 0.05153041 0.31816042 -0.17259289 Cu 3.56989588 8.87287448 1.77830244 -0.11025810 0.17838859 -0.13418226 Cu 7.09430004 7.06555836 0.01208676 0.09341647 0.19487285 -0.13901038 Cu 8.89751876 8.88755549 0.02835343 -0.57672985 -0.58711138 0.52547376 Cu 8.90095362 7.08844147 1.77476220 0.06216519 0.15397062 -0.12163176 Cu 7.09287136 8.83206499 1.76780287 0.09355296 0.27660871 -0.06937418 Cu 0.01081434 0.01853496 3.51436007 0.09881515 0.14419478 0.12380462 Cu 1.80456314 1.77231021 3.55996503 -0.41074644 -0.20059116 -0.18953141 Cu 1.74886443 0.00578869 5.29963617 0.05646567 -0.34993466 0.14115235 Cu 0.01319352 1.78481846 5.35058293 -0.25899929 -0.07070163 -0.13031598 Cu 3.56354379 0.03326980 3.54185951 -0.19463259 -0.67421649 0.00557101 Cu 5.30334591 1.73494996 3.55905573 0.21745701 0.14702287 0.05054813 Cu 5.33539471 0.01058724 5.34890240 0.12741303 -0.39079450 -0.09681007 Cu 3.52150470 1.73886879 5.30683535 0.15516768 0.13756722 0.26954484 Cu 7.14124695 0.02484497 3.55358704 -0.13924426 -0.38306733 0.01744170 Cu 8.87746990 1.78553278 3.51833019 0.36200535 -0.12905980 0.26105450 Cu 8.87960604 0.02942852 5.34629162 -0.17299762 0.12334573 -0.02872954 Cu 7.11003613 1.79503977 5.32407374 0.14573953 -0.32307862 0.05233443 Cu 0.01051595 3.51395039 3.56959855 -0.38288732 0.13426416 -0.04930210 Cu 1.76815258 5.29943509 3.53240386 -0.19301456 0.19478307 0.25485513 Cu 1.80510064 3.53619151 5.28792170 -0.38112877 0.10179167 0.45442279 Cu 0.01649220 5.34824177 5.34717560 -0.30718139 -0.23103351 -0.07934046 Cu 3.51110875 3.53268290 3.53346412 0.49681417 0.12648530 0.19714339 Cu 5.34061661 5.29455884 3.56956335 -0.22019202 0.06989407 -0.13118436 Cu 5.34396452 3.50015376 5.35001228 -0.31378645 0.23789511 -0.25272419 Cu 3.54458939 5.30336162 5.33122453 0.13445091 0.10271542 -0.15880804 Cu 7.08159770 3.52116085 3.56169910 0.26871138 0.09385375 -0.08405155 Cu 8.86011834 5.34669965 3.52128147 0.37644421 -0.19980788 0.23586932 Cu 8.89758102 3.53789166 5.34254677 0.18850292 0.12541474 -0.13490109 Cu 7.06232031 5.31077238 5.29618376 0.49225151 0.04787184 0.16448492 Cu 0.00123594 7.12216818 3.53635545 -0.28465970 -0.11424825 0.00989408 Cu 1.79949407 8.85004624 3.52188395 -0.12903492 0.42860663 0.07375684 Cu 1.77708469 7.09502311 5.29168413 -0.13181983 0.16255224 0.19044617 Cu 0.00214412 8.86523613 5.29519666 0.24604392 -0.17206218 0.07611577 Cu 3.53075063 7.08128417 3.52568673 0.26105919 0.09157688 0.21560054 Cu 5.28930543 8.89674593 3.56226180 0.24192709 0.15345503 -0.13079478 Cu 5.35456370 7.10358226 5.32707107 -0.30617867 0.01665075 -0.11724508 Cu 3.56443376 8.83507974 5.29480427 -0.17523208 0.42308069 0.18623173 Cu 7.09810028 7.10235580 3.53431178 0.10390559 0.15195260 0.06628042 Cu 8.89365094 8.85063076 3.56768498 -0.28303224 -0.20141178 -0.08845889 Cu 8.88472966 7.08766479 5.30649766 0.08174808 0.08621923 0.16127316 Cu 7.08546976 8.85416302 5.35137949 0.13952854 0.32670762 -0.12107542 Cu 0.00300949 0.03336584 7.05443092 0.18455119 0.15166937 0.13124658 Cu 1.77933019 1.76704802 7.13890138 -0.10972999 -0.19533501 -0.16924280 Cu 1.73860955 0.00650866 8.88891931 0.17125595 0.20827167 -0.34460399 Cu 0.00582687 1.75253085 8.88105079 0.26509356 0.09763316 -0.25526716 Cu 3.57688059 0.00043472 7.07639359 -0.24029540 -0.32508817 0.22597524 Cu 5.29830893 1.78997261 7.06299972 0.19087166 -0.24945317 0.47728227 Cu 5.30827405 0.02854047 8.89622048 0.08148590 0.23894184 -0.28475024 Cu 3.52529476 1.76879438 8.84600271 0.18442705 -0.09023299 0.42439038 Cu 7.11310789 0.01265288 7.13811192 -0.08035713 -0.16295474 -0.07061658 Cu 8.88608337 1.76041471 7.06722444 0.19234291 0.07245649 0.26033007 Cu 8.87307113 0.03480306 8.83481291 -0.38937245 0.40620967 -0.36332537 Cu 7.09941973 1.79939048 8.86639035 0.01071493 -0.24753411 0.22225355 Cu 0.03431249 3.51318748 7.12738208 -0.28252907 0.21733759 -0.10352698 Cu 1.80536038 5.33976890 7.10699482 -0.42256759 -0.19503174 -0.04453499 Cu 1.80603266 3.54972943 8.87409074 -0.29752377 -0.02159948 0.39165764 Cu 0.00087995 5.32793754 8.84555566 0.24508504 0.02962927 -0.20054584 Cu 3.53361144 3.55543842 7.12908871 0.11554215 -0.12584459 -0.20037015 Cu 5.34725931 5.28295043 7.05989310 -0.21326842 0.33628162 0.38603312 Cu 5.35510843 3.56761482 8.87032978 -0.17318485 -0.11892936 0.34812834 Cu 3.52464110 5.30733330 8.84873400 0.23830536 0.21677114 0.44604861 Cu 7.10755999 3.56001258 7.13490329 0.10994191 -0.12168668 -0.24343881 Cu 8.84952109 5.33333329 7.08334335 0.30560759 0.08285311 0.01690644 Cu 8.80835367 3.55843884 8.85356108 0.13525448 -0.05194006 -0.03235892 Cu 7.12716273 5.33604527 8.87124541 -0.17440493 0.13652144 0.27499720 Cu 0.02504910 7.09818462 7.07304322 -0.25158744 0.14766613 0.13088478 Cu 1.75472599 8.90028748 7.12657480 0.11293229 0.05968830 -0.22688783 Cu 1.77749192 7.12694577 8.84286557 -0.10633078 -0.06197515 0.31271741 Cu 0.01713435 8.87063422 8.85094906 0.38634704 -0.44415535 -0.41933801 Cu 3.54277042 7.06939351 7.07244927 0.12203987 0.30804678 0.18724908 Cu 5.28564550 8.89481043 7.10286110 0.08672116 0.16660321 -0.03422919 Cu 5.30607316 7.11612467 8.88199739 0.08459821 -0.18098448 0.11681358 Cu 3.56254731 8.82840958 8.86495377 -0.09219785 -0.02643888 -0.10802939 Cu 7.06335988 7.11142663 7.10507689 0.37186873 0.06543846 0.13058608 Cu 8.86949425 8.87890269 7.11618398 -0.32327150 -0.37982755 -0.10348592 Cu 8.87455281 7.08786888 8.86441832 -0.34320989 0.07431376 -0.31691332 Cu 7.06207906 8.90100645 8.84181514 0.04402577 -0.34727836 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