1372 Lattice="25.21710917807268 0.0 0.0 0.0 25.21710917807268 0.0 0.0 0.0 25.21710917807268" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4231.878436079937 stress="-6.7950538592597525 -1.6294883410546728 -4.219352510054549 -1.6294883410546728 -6.993472371374878 -0.2504672224226283 -4.219352510054549 -0.2504672224226283 -7.124145868148595" pbc="F F F" Cu -0.03292839 -0.00273451 0.02167819 0.50436846 0.49043008 0.43270657 Cu 1.83222895 1.81331879 0.01252857 -0.25435045 -0.09896898 0.08393771 Cu 1.77649989 0.02255442 1.81776043 0.03902964 0.04823326 -0.21422706 Cu 0.01195718 1.83154476 1.77530502 0.11649462 -0.08062354 0.10389512 Cu 3.61262914 0.02249304 -0.01989754 -0.09042876 0.31215587 0.41003329 Cu 5.38463273 1.80537092 0.02629808 0.10676457 -0.12108137 0.10178850 Cu 5.37342602 -0.01422966 1.82005899 0.14470546 0.22143486 -0.12181450 Cu 3.56297542 1.83263676 1.81376485 0.13171069 -0.27179399 -0.18951270 Cu 7.23158847 0.01263411 -0.01843070 -0.14831514 0.31178678 0.39570399 Cu 8.97214561 1.82208055 0.03117353 0.22683160 -0.08002915 -0.02398468 Cu 9.02059413 -0.01449894 1.80189251 -0.05154591 0.11192638 -0.05998599 Cu 7.23802975 1.81684133 1.78379979 -0.27226175 -0.27731276 -0.03547798 Cu 10.84142235 0.02782341 -0.02549503 -0.16610615 0.33833561 0.38516930 Cu 12.60903161 1.77842600 -0.01954706 0.15383515 0.08644246 0.25163099 Cu 12.63683172 0.00480243 1.78069922 -0.01400660 0.16815336 0.14664398 Cu 10.78954330 1.80136572 1.83305261 0.23793916 -0.10874601 -0.40084413 Cu 14.45751430 0.01994025 0.02548111 -0.13231841 0.22865172 0.17201435 Cu 16.18967175 1.80922601 0.00609889 0.16267478 0.02974207 0.08713068 Cu 16.20344893 -0.00904413 1.78111324 0.09619119 0.13735232 0.18472964 Cu 14.44413414 1.80890319 1.83031455 -0.27248070 -0.14512698 -0.19471141 Cu 18.01589962 0.02082839 0.02077901 -0.07468966 0.28088691 0.22505135 Cu 19.79329587 1.82529614 0.00548686 0.21498174 -0.06730045 0.13431759 Cu 19.81304656 0.01257180 1.77514946 0.10130376 0.09505657 0.11997867 Cu 18.01430081 1.81478496 1.82044248 -0.17097624 -0.10325880 -0.21735883 Cu 21.64878994 -0.03544547 0.00890683 -0.17285639 0.51281137 0.39646889 Cu 23.40757580 1.80685001 0.00350420 -0.36161140 0.09795670 0.31585514 Cu 23.43804175 0.01517635 1.77310997 -0.37758340 0.36875255 0.14581621 Cu 21.63596881 1.82324764 1.81779274 -0.10487745 -0.32115703 -0.34973950 Cu 0.00044596 3.62636284 0.01026604 0.29726135 -0.05396754 0.18569049 Cu 1.80109389 5.42323144 0.01571966 0.01981379 -0.15297523 -0.07230363 Cu 1.78087667 3.63982509 1.79725061 0.04880314 -0.24744129 -0.09396944 Cu 0.02804538 5.37329987 1.80674175 -0.13337043 0.12727775 -0.06248896 Cu 3.61176340 3.57276483 -0.03228218 -0.07194004 0.22596016 0.16407110 Cu 5.42756925 5.40158501 -0.02948014 -0.15499175 0.07641071 0.22697234 Cu 5.38825024 3.60808670 1.78821646 0.10475201 -0.02485229 -0.18385311 Cu 3.58778856 5.42876352 1.80177318 0.11271306 -0.13827003 -0.42753856 Cu 7.17041829 3.60592904 -0.03388833 0.09232582 -0.00342965 0.14259024 Cu 8.99879059 5.40394309 -0.01858704 0.09994175 -0.09651417 0.16871539 Cu 8.99391776 3.61007973 1.80923883 0.12326760 0.04977090 -0.38760498 Cu 7.22211740 5.38856988 1.81831508 -0.14995970 0.10824470 -0.31846394 Cu 10.83934792 3.56950699 0.00723908 -0.16169550 0.08441428 0.04664176 Cu 12.63784528 5.39496019 -0.00282228 -0.19020115 0.00764384 0.01691041 Cu 12.59097073 3.61220876 1.79208309 0.09588583 -0.25990137 -0.01717686 Cu 10.80274084 5.38906774 1.83108974 -0.02569055 0.08728682 -0.44071589 Cu 14.40432593 3.60380667 0.02149883 -0.03042865 -0.11896271 -0.07583260 Cu 16.22455721 5.37882079 0.01159496 -0.04695935 0.09851419 -0.04055786 Cu 16.20058173 3.62719471 1.78790274 0.15885124 -0.26932338 -0.02542733 Cu 14.39067120 5.36814261 1.80246766 0.07809624 0.32500952 -0.17759293 Cu 17.97701487 3.61998065 -0.00672779 0.10060242 -0.19629489 0.01296829 Cu 19.79291331 5.38616212 0.01346002 0.10910948 0.09198330 -0.13893825 Cu 19.79885476 3.63579329 1.79542776 0.09480054 -0.34802805 -0.12618985 Cu 18.04779359 5.38446983 1.78837282 -0.24583679 0.14034914 -0.07566144 Cu 21.61216054 3.63027392 -0.00348074 0.06377342 -0.14664174 0.08688856 Cu 23.44694852 5.39433430 -0.00200014 -0.39587627 -0.01077376 0.40024904 Cu 23.38154890 3.58050164 1.83396637 0.06766460 0.05723197 -0.13404541 Cu 21.59424384 5.37108295 1.79641182 0.41046588 0.17996684 -0.16769581 Cu 0.00553336 7.18223774 -0.01711918 0.28236907 0.05031241 0.38062603 Cu 1.80760451 8.99355568 -0.01218293 -0.09574859 0.00880354 0.12403291 Cu 1.79709825 7.17218579 1.78789732 -0.16052351 0.34746587 -0.12620349 Cu -0.01040784 9.02735917 1.79325462 0.12711380 -0.16551263 -0.11978880 Cu 3.57687408 7.19268413 -0.02979926 0.21357009 0.13398534 0.16947994 Cu 5.42036227 9.03879749 -0.01964405 -0.10811302 -0.22748638 0.15940755 Cu 5.40555809 7.22002866 1.83405318 -0.05769950 0.05894003 -0.49084121 Cu 3.57215771 9.03257937 1.79736292 0.21624067 -0.15626982 -0.17184781 Cu 7.23280227 7.17147398 0.00273277 -0.18295570 0.16316621 0.08572042 Cu 9.00335851 8.98019475 -0.01894052 0.07607324 0.04460798 0.02324089 Cu 8.99513082 7.22827777 1.81578890 0.12880561 -0.14430542 -0.31087510 Cu 7.22144822 9.04818979 1.76657420 -0.14159878 -0.17799632 0.09191035 Cu 10.81688288 7.18847619 -0.01987181 -0.06895343 0.04237054 0.14734902 Cu 12.64296550 8.98633943 0.03502856 -0.09462774 -0.07486338 -0.11254097 Cu 12.57862519 7.18667493 1.77774087 0.22307334 0.07928062 -0.11085163 Cu 10.79520862 9.02786904 1.81743123 0.17711160 -0.16107380 -0.36168591 Cu 14.43980068 7.15125257 -0.02381456 -0.05499781 0.20505238 0.19870677 Cu 16.19542544 9.01396501 -0.02930116 0.06520261 -0.11209319 0.19982300 Cu 16.24543922 7.18027039 1.78183453 -0.27655634 0.17792427 -0.02311578 Cu 14.39575099 9.01474172 1.82700925 0.27297261 -0.32393964 -0.42231524 Cu 18.02328221 7.19764621 -0.02684457 -0.06178592 0.06228678 0.14365845 Cu 19.81027471 8.97525058 -0.02742349 0.02229758 0.22392318 0.25684293 Cu 19.84696045 7.19191107 1.78445241 -0.23959286 0.22671423 -0.08650765 Cu 17.99992516 9.03164289 1.82140472 0.11431343 -0.25100885 -0.36270536 Cu 21.61198591 7.21018079 0.00563151 0.11377173 -0.08911916 0.05622384 Cu 23.41807729 9.03402016 0.01726289 -0.28129799 -0.03263368 0.25350526 Cu 23.39598664 7.20631566 1.79277264 -0.10574319 -0.08764077 0.05605478 Cu 21.64591109 9.02920285 1.80223135 -0.07304119 -0.12128228 -0.09180618 Cu 0.01989028 10.81136495 0.02997880 0.23168448 0.05105411 0.18110102 Cu 1.83312447 12.59867843 -0.03091404 -0.15836338 0.00918054 0.30117443 Cu 1.77459424 10.79749646 1.79680424 0.11956302 0.19390445 -0.14995281 Cu -0.03024630 12.60141741 1.82570837 0.28593420 0.12801913 -0.09908259 Cu 3.60138918 10.80956393 -0.01876199 -0.04114390 0.03508544 0.08344680 Cu 5.42408844 12.62540961 0.01597786 -0.15756817 -0.08783928 -0.12057404 Cu 5.38685223 10.84277589 1.79643038 0.10430953 -0.32569515 -0.12600925 Cu 3.63587556 12.58078766 1.83244387 -0.37381326 0.12852204 -0.42061619 Cu 7.21424130 10.80188532 0.01975435 0.05826956 0.13753984 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14.41729719 1.83001605 0.16334456 -0.13673266 -0.16818546 Cu 18.02563671 16.18316394 1.78568015 -0.06572869 0.24787411 0.11103798 Cu 21.63557882 14.38144164 0.00082272 -0.11266133 0.08872521 0.11744374 Cu 23.43041579 16.20411639 -0.02883348 -0.42711119 0.04300754 0.48886594 Cu 23.39490444 14.39502936 1.81500318 -0.02576797 0.14449328 -0.17549310 Cu 21.58767700 16.20778828 1.79490427 0.46433717 0.00726048 -0.11561800 Cu 0.03533472 18.01914576 -0.01012541 0.24283415 0.04650308 0.24327948 Cu 1.82585668 19.81863893 -0.02860926 -0.12577459 0.08941845 0.18940002 Cu 1.80559149 18.01530193 1.78912113 -0.10534858 -0.12084987 -0.08546789 Cu 0.02882471 19.80005129 1.82649821 0.00637907 0.06815747 -0.19457906 Cu 3.61501340 17.99838491 0.03596365 -0.08024745 0.03740349 -0.11445352 Cu 5.41503106 19.81586721 -0.01979407 -0.16600405 0.14324378 0.12251066 Cu 5.43940213 18.01272203 1.77186340 -0.19186635 0.08792431 0.23540924 Cu 3.57151326 19.81034499 1.81288366 0.21813178 0.10679792 -0.20250063 Cu 7.17818803 18.03752953 -0.01543972 0.18998310 -0.09048365 -0.04862131 Cu 9.02794361 19.80802217 0.01151139 -0.18170583 0.20782183 0.02134667 Cu 8.97917591 18.04028162 1.74756572 0.07615570 -0.09997719 0.17403402 Cu 7.18075854 19.82161919 1.81583712 0.19339891 0.08002686 -0.31724003 Cu 10.81049085 18.05802700 -0.03222771 0.11627088 -0.13069282 0.16764502 Cu 12.63352841 19.82359118 -0.00843527 -0.08116892 0.08547506 0.11194902 Cu 12.64421045 18.01920617 1.83198574 -0.21443897 -0.08166821 -0.42827350 Cu 10.83105662 19.82839288 1.80048094 -0.09955824 -0.05620876 -0.16171795 Cu 14.43868284 18.02172892 -0.00770726 -0.13165773 -0.19244201 0.15587832 Cu 16.17655702 19.80424361 -0.01531949 0.19412538 0.09338185 0.05514418 Cu 16.23279756 18.04751206 1.82409267 -0.12433340 -0.30099762 -0.27411379 Cu 14.39987092 19.83221841 1.77821131 0.17514909 0.06421441 0.00629635 Cu 18.04511066 17.98195869 -0.01220115 -0.19813988 0.10259187 0.06820357 Cu 19.80626467 19.77897558 0.02261062 0.10845356 0.32358236 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