108 Lattice="10.604302145670385 0.0 0.0 0.0 10.604302145670385 0.0 0.0 0.0 10.604302145670385" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.3814154547829 stress="-5.498909638242221 0.32691455528732916 0.48934901005423015 0.32691455528732916 -6.017484858263476 -0.27989345093528684 0.48934901005423015 -0.27989345093528684 -5.520393522633795" pbc="F F F" Cu 0.03468501 -0.02915905 -0.02950875 0.57777620 0.62088082 0.58362815 Cu 1.78391901 1.80051755 0.00002523 -0.13584498 -0.32868340 -0.37388040 Cu 1.79803149 0.00387010 1.73605548 -0.17780697 -0.30655700 0.18799717 Cu -0.00881727 1.73408078 1.77249036 -0.12052659 0.00911960 -0.07516036 Cu 3.56339611 0.00945132 0.02038927 -0.18513554 0.04303200 -0.12275658 Cu 5.32588238 1.74190488 0.02524890 -0.25935758 0.42307525 -0.62361197 Cu 5.27490204 -0.01483536 1.76831050 0.27125250 -0.60402629 0.20239572 Cu 3.55085915 1.74427244 1.75338870 -0.09697999 0.41409680 0.24873108 Cu 7.03805658 0.03337829 0.02882832 0.18825009 -0.07931321 0.10206558 Cu 8.82428023 1.76922924 0.02503350 -0.22415570 0.13912470 0.26171501 Cu 8.85671038 0.00415196 1.76861396 -0.45547723 0.36647615 0.16698188 Cu 7.04876318 1.75718027 1.73475378 0.30573494 0.27710486 0.56919525 Cu 0.03424696 3.54293972 0.05413716 -0.10300528 -0.15781025 -0.17199184 Cu 1.80377736 5.29214459 -0.00270670 -0.23410774 0.28035433 -0.52583939 Cu 1.78233780 3.55591009 1.73707402 0.22425170 -0.43847022 0.30794113 Cu -0.00761042 5.27124758 1.75713752 -0.41443999 0.46575437 0.08029612 Cu 3.51087870 3.54169557 -0.01108383 0.37184466 -0.23659478 -0.41160266 Cu 5.27225334 5.28712492 -0.00922484 0.28535723 0.25551561 -0.36225971 Cu 5.29902350 3.56534547 1.78806732 -0.02582664 -0.43846561 -0.13960380 Cu 3.53762355 5.33596059 1.74677809 0.04472169 -0.10820267 0.32299399 Cu 7.05763802 3.54308603 0.02381226 0.08636433 -0.06066215 -0.45442384 Cu 8.83195268 5.27754647 0.00560657 -0.26701391 0.22196136 0.20793172 Cu 8.86995132 3.56195747 1.78717633 0.28464570 -0.45019924 -0.19158599 Cu 7.08682715 5.26911061 1.80599378 -0.31412282 0.54854124 -0.29008305 Cu 0.00158465 7.00449055 0.02845825 0.33351290 0.14247010 0.25513606 Cu 1.77124679 8.81261106 0.01547567 -0.11404564 -0.17047731 0.13882488 Cu 1.79208968 7.07432173 1.77738624 -0.29587051 -0.18104401 0.03041704 Cu 0.03255446 8.82950378 1.76747801 0.22003595 -0.23921991 0.00923588 Cu 3.51012563 7.09782186 0.00962495 0.11720441 -0.20625809 -0.70900634 Cu 5.30328105 8.80287850 -0.01494606 0.01119564 0.09918576 0.05710812 Cu 5.29125178 7.09792605 1.74798378 0.16796073 -0.68432004 0.24923331 Cu 3.53834670 8.82323000 1.74601838 -0.04985814 0.69303156 0.20470278 Cu 7.04506844 7.09740817 0.03141050 0.29537737 -0.38770496 -0.45364597 Cu 8.86850792 8.83774945 0.00698611 -0.65778518 -0.61451064 0.66476244 Cu 8.80416294 7.05141486 1.79255111 0.48960062 0.06695336 -0.18176366 Cu 7.04238553 8.80927435 1.79816131 0.33581591 0.68644796 -0.43229816 Cu 0.03234572 -0.00170776 3.53180745 0.20187069 0.22516627 -0.12151718 Cu 1.80904887 1.80332886 3.52881035 -0.26706651 -0.19828537 -0.14000578 Cu 1.74493083 0.02766347 5.28237475 0.12930041 -0.36939135 0.20275815 Cu -0.02360547 1.77852531 5.29072060 -0.14467611 0.15479414 0.07159721 Cu 3.53558695 -0.02369597 3.55106592 -0.15360701 -0.32733655 -0.11794984 Cu 5.32866306 1.73588338 3.51964996 -0.10315205 0.44375757 0.13495794 Cu 5.27458204 -0.02806293 5.31036295 0.30241804 -0.25903369 0.09251103 Cu 3.55785895 1.78596516 5.29290410 -0.14002576 -0.05207067 0.18312715 Cu 7.06262443 0.03372561 3.57202228 0.17585619 -0.57087379 -0.20300593 Cu 8.80711506 1.77940108 3.54069850 0.43996859 -0.16072010 -0.11957943 Cu 8.86923653 -0.03423894 5.30377922 -0.44075454 0.46253246 0.13281202 Cu 7.07006152 1.78314765 5.35144712 -0.18044266 -0.23097855 -0.22582785 Cu 0.02258710 3.54293169 3.47787998 -0.54939547 -0.34593175 0.27210180 Cu 1.76161842 5.26770478 3.48625445 0.29777165 0.49685094 0.28818039 Cu 1.79051780 3.55373988 5.31352604 -0.12496196 -0.29976046 0.08564804 Cu 0.03373525 5.27566787 5.27806213 -0.53156078 0.18969078 0.04606129 Cu 3.54549457 3.54016528 3.52891524 -0.14575245 -0.12330066 -0.26893477 Cu 5.29007851 5.27773302 3.51922590 0.14298100 0.58508307 -0.17501205 Cu 5.26901100 3.56934942 5.26966964 0.38718029 -0.36411979 0.52636221 Cu 3.55470063 5.31042659 5.28666147 -0.33963722 -0.05788350 0.20490389 Cu 7.08978918 3.55839153 3.55778572 -0.33109969 -0.47500659 -0.18167571 Cu 8.86544849 5.26836057 3.51802381 0.39896499 0.41439311 0.41720503 Cu 8.80213997 3.50732204 5.31686712 0.67528448 0.18085518 0.15673635 Cu 7.03889202 5.32911384 5.29257559 0.32678746 -0.18895346 0.13106875 Cu 0.00548228 7.10075757 3.51675358 -0.35230497 -0.24290846 0.08424684 Cu 1.78789838 8.81618288 3.54721050 -0.16957503 0.62028378 -0.03855834 Cu 1.78396312 7.05634372 5.28796446 -0.13038073 0.09489360 0.15733577 Cu -0.03187074 8.86186877 5.31273374 0.41706388 -0.38151059 -0.00551959 Cu 3.54371293 7.09519576 3.55099609 -0.07526421 -0.43672854 -0.31050067 Cu 5.34491728 8.80320093 3.50552313 -0.34571785 0.81082629 0.23731650 Cu 5.29401422 7.04339184 5.27593870 0.13153987 0.23131644 0.28703876 Cu 3.56885228 8.84676895 5.27614804 -0.16190029 0.42450564 0.37582626 Cu 7.07266097 7.09760109 3.56125475 0.11279543 -0.69900454 -0.27129650 Cu 8.81145438 8.86584089 3.50358020 -0.01169764 -0.21789836 0.06794034 Cu 8.85133955 7.08208069 5.33531993 0.41564291 -0.05565546 -0.30067331 Cu 7.09436245 8.81240342 5.28599513 -0.24116246 0.58590065 0.34186057 Cu 0.01456245 0.03216643 7.09953108 0.19074993 0.18679038 -0.14556674 Cu 1.76350705 1.73225326 7.09475248 -0.12905361 0.33243600 -0.30537278 Cu 1.79243214 -0.01017256 8.84410510 -0.03118244 0.28480327 -0.27145275 Cu -0.03057650 1.76826508 8.85537360 0.51492363 0.13887261 -0.35622526 Cu 3.55058860 0.01647815 7.04916797 -0.14282949 -0.40154727 0.15417984 Cu 5.31937607 1.79344789 7.08621988 -0.28431595 -0.08564502 -0.19293537 Cu 5.31270855 -0.00440601 8.83759424 -0.17027340 0.21130648 -0.15368515 Cu 3.50216947 1.77077644 8.84443404 0.30159516 -0.10629684 0.45207733 Cu 7.04459784 0.02417612 7.09706048 0.27126373 -0.48436521 -0.14265807 Cu 8.84063508 1.74636607 7.10955874 0.29101083 -0.05450279 -0.04497748 Cu 8.86399373 -0.01753349 8.86800400 -0.66906396 0.60610977 -0.59803229 Cu 7.04065369 1.75732743 8.87165653 0.34812705 0.03680253 0.33453273 Cu 0.00011187 3.55652422 7.09324527 -0.28261303 -0.30662689 -0.18298464 Cu 1.77826062 5.32671071 7.08425881 -0.11405814 -0.01917447 -0.34084893 Cu 1.78895424 3.54916311 8.81284631 -0.38581055 -0.16529282 0.66183658 Cu -0.01630244 5.28998007 8.82042505 0.19768113 0.13504178 -0.08891463 Cu 3.50055488 3.52123885 7.09897397 0.42096896 0.12053908 -0.41614388 Cu 5.32107423 5.32868162 7.09815189 -0.19635142 -0.35723497 -0.34783177 Cu 5.33369869 3.53983453 8.81631727 -0.31022827 0.04932085 0.64106250 Cu 3.50299771 5.33158883 8.81279718 0.30296382 -0.10639876 0.71027495 Cu 7.07024914 3.52810430 7.07951425 0.08462007 0.19183881 -0.10475753 Cu 8.86266728 5.32416359 7.03920021 0.21021732 -0.13396611 0.18716047 Cu 8.85135550 3.53879392 8.83046737 -0.30962220 -0.02171365 -0.25269016 Cu 7.07526297 5.31433060 8.82089381 0.31765307 0.05622294 0.49293255 Cu -0.00520143 7.04937873 7.04282783 -0.33379645 0.12787882 0.05011888 Cu 1.73894741 8.82824884 7.08682882 0.18933499 0.19396684 -0.27891329 Cu 1.74841370 7.06095177 8.83994058 0.00240962 0.10336577 0.32903148 Cu 0.03236894 8.83169691 8.87175650 0.42887035 -0.54385204 -0.56994055 Cu 3.56100780 7.04829963 7.06012573 -0.35911558 0.31121956 -0.09394061 Cu 5.28846274 8.80381214 7.10234614 0.23254984 0.50575646 -0.32551716 Cu 5.31583305 7.06724142 8.85356848 -0.09007050 -0.02221780 0.53880273 Cu 3.52430756 8.82746323 8.81342700 -0.10544849 -0.21285147 -0.08184053 Cu 7.05919182 7.05952972 7.06250077 0.20138694 0.24451045 0.07886270 Cu 8.83266240 8.86007676 7.05182779 -0.41180916 -0.34310058 0.10871037 Cu 8.86742671 7.09537963 8.81554675 -0.45678593 -0.09558951 -0.40258065 Cu 7.03460880 8.81891717 8.85974932 0.18126947 -0.30050995 -0.39109184