108 Lattice="10.61092182277909 0.0 0.0 0.0 10.61092182277909 0.0 0.0 0.0 10.61092182277909" Properties=species:S:1:pos:R:3:forces:R:3 energy=-325.08163438443984 stress="1.2937140852903009 0.002075620021475988 -0.19341734706012303 0.002075620021475988 0.4839433642953934 -1.7342623121743532 -0.19341734706012303 -1.7342623121743532 1.585499581751681" pbc="F F F" Cu -0.01763636 -0.01734090 0.02712292 0.57202190 0.50587667 0.46560495 Cu 1.77967125 1.77892791 -0.02195206 -0.14457996 -0.22940799 -0.05380331 Cu 1.74183477 -0.03174501 1.80280376 0.30248369 -0.07611652 -0.45116043 Cu 0.03043483 1.74983771 1.73879029 -0.35221764 0.09788401 -0.12968461 Cu 3.55565445 -0.01745953 -0.01352247 -0.28063326 0.29261614 0.26243022 Cu 5.27309770 1.76512227 0.02493797 0.29425452 -0.10767205 -0.42708579 Cu 5.25066540 -0.00716972 1.73925804 0.20923224 -0.34745627 0.14192821 Cu 3.53914480 1.80166124 1.76448775 -0.33299838 -0.50718397 0.10433889 Cu 7.05587217 0.02161236 0.02057085 -0.00364804 0.19557091 0.20098768 Cu 8.81899514 1.76132995 -0.01851964 -0.31678305 0.01211138 0.37617868 Cu 8.81345826 -0.00889337 1.78368413 -0.26710583 0.32545816 -0.02333614 Cu 7.07224475 1.74219556 1.76861658 0.09706554 0.25265964 -0.07533755 Cu -0.00132784 3.56605376 -0.02084582 0.26800406 -0.08677593 0.38782600 Cu 1.76399001 5.28481702 0.00119063 -0.06246560 0.19139232 -0.06724692 Cu 1.76109810 3.54722018 1.79739441 -0.07361327 -0.06314547 -0.39333294 Cu -0.01556150 5.33919091 1.80078906 -0.12688927 0.02187538 -0.43991523 Cu 3.56883004 3.50429033 0.02492181 -0.33026687 0.27795669 -0.59774701 Cu 5.32147238 5.30284119 -0.01901597 -0.09509021 0.14592246 -0.21763998 Cu 5.27577650 3.56537860 1.75754856 0.58065979 -0.25014544 0.13859919 Cu 3.54923519 5.27385124 1.77627600 -0.17494557 0.43695733 -0.25612333 Cu 7.05189045 3.54487510 -0.02895611 0.20619573 -0.20039193 -0.11571624 Cu 8.83403980 5.31406386 -0.03119342 -0.24949390 0.01725996 0.28853294 Cu 8.86098918 3.51949824 1.76283621 0.11900270 -0.08838158 -0.10203899 Cu 7.11652843 5.27349755 1.75976492 -0.28834026 0.15522109 -0.13368454 Cu 0.00232659 7.10882856 -0.00583319 0.45557540 -0.13742844 0.38530948 Cu 1.78048583 8.85492184 -0.03404593 -0.07641226 -0.36578813 0.41469259 Cu 1.79738713 7.12717888 1.79186219 -0.27449066 -0.44741423 -0.56148219 Cu -0.02170636 8.81378216 1.76341682 0.33003903 -0.22278533 -0.06856930 Cu 3.53104002 7.06971154 -0.03346007 -0.00097852 -0.01305696 -0.10316258 Cu 5.32342087 8.82417409 -0.00537561 -0.01504721 -0.10474811 0.17979870 Cu 5.31879635 7.10065738 1.77011884 -0.05488291 -0.22513803 -0.17420727 Cu 3.53966442 8.82622669 1.73790207 0.13872132 0.45240276 -0.10958263 Cu 7.04271976 7.07685154 -0.00828346 0.33455172 -0.00103683 -0.18462488 Cu 8.82908792 8.81529355 -0.01392862 -0.49126059 -0.53107874 0.51665692 Cu 8.83019060 7.05822873 1.78960566 0.34259995 0.12835315 -0.47099860 Cu 7.11028578 8.81876403 1.77980532 -0.11109817 0.38832896 -0.17246067 Cu 0.05457792 0.01887551 3.53615887 -0.19702818 -0.05686775 -0.06186542 Cu 1.73086380 1.77699524 3.52776712 0.28317365 -0.04750443 -0.07116242 Cu 1.72473657 0.02762008 5.32524329 0.26106926 -0.49881774 0.03475913 Cu 0.01263588 1.73774725 5.29741203 -0.52187747 0.28101383 0.15256407 Cu 3.53149937 0.02403466 3.56620192 -0.16295474 -0.35020938 -0.14277828 Cu 5.32479033 1.73408906 3.51977042 -0.01089902 0.25375887 0.07421683 Cu 5.29105335 -0.01313271 5.31962691 0.12228062 -0.24139560 -0.00426127 Cu 3.52918146 1.80011556 5.27432799 -0.03414291 -0.34838431 0.29967119 Cu 7.04752490 0.01081898 3.56622145 0.19164649 -0.47284747 -0.18738417 Cu 8.84612746 1.75147857 3.55943490 0.20363927 -0.00445076 -0.28640386 Cu 8.86242000 0.02127829 5.30452160 -0.21179890 0.08585215 0.09808026 Cu 7.09649350 1.74799732 5.30984349 -0.16820454 0.16232362 0.17045316 Cu 0.01028135 3.56885047 3.52281971 -0.46463657 -0.18804072 0.07415530 Cu 1.78932475 5.30929789 3.52021985 -0.02183427 0.12574236 0.24782649 Cu 1.78116319 3.52453863 5.28351366 -0.24443331 0.13999660 0.21107471 Cu -0.02408086 5.28548185 5.32651580 -0.14558950 0.12056315 -0.05510739 Cu 3.57134177 3.51269652 3.55778892 -0.30178671 0.14134495 -0.19745992 Cu 5.27238220 5.30320040 3.54549269 0.32080683 0.04197763 -0.27490807 Cu 5.27588341 3.55460006 5.30496853 0.37447862 -0.22657462 0.11238539 Cu 3.56739412 5.33848929 5.32538648 -0.57713841 -0.30192466 -0.21175867 Cu 7.05588408 3.56795099 3.55899283 0.17307033 -0.36487717 -0.26219194 Cu 8.86409331 5.33385353 3.50513706 0.31075645 -0.20927554 0.26326283 Cu 8.86463387 3.50408821 5.28333432 0.16670046 0.12245038 0.19507324 Cu 7.06405558 5.29543689 5.28077754 0.27432510 0.09198561 0.25839103 Cu -0.00318254 7.06451703 3.52417033 -0.23924894 0.19690325 0.24400319 Cu 1.78538980 8.83285765 3.48294912 -0.26640740 0.48042962 0.28015607 Cu 1.78927546 7.10677938 5.27208387 -0.36814173 -0.21543969 0.02825411 Cu -0.02163859 8.87061142 5.32001198 0.37434083 -0.34881360 -0.12664718 Cu 3.57950272 7.07907009 3.52827130 -0.26148084 0.06270044 -0.10055334 Cu 5.28765155 8.87569923 3.56200057 0.20410209 0.23755306 -0.12324236 Cu 5.27341989 7.04619994 5.29573831 0.48568167 0.55479414 0.12041832 Cu 3.51181581 8.85549813 5.28320139 0.11346131 0.34460547 0.07110315 Cu 7.05556626 7.05605970 3.51586237 0.06673410 0.16698971 0.26948329 Cu 8.85119874 8.80896668 3.50957145 -0.12296935 -0.10201151 0.07406176 Cu 8.87596097 7.09334447 5.29005720 0.07986163 -0.07523287 0.07467521 Cu 7.10817527 8.85711378 5.29384089 -0.10447652 0.03219949 0.04194261 Cu -0.01044690 0.01217281 7.12963544 0.28863617 0.21264834 -0.03434022 Cu 1.74481415 1.74075733 7.06703107 0.19445152 0.19551482 0.31786177 Cu 1.82535831 0.01385877 8.86461168 -0.10101022 0.22636331 -0.36107315 Cu 0.01860827 1.74089570 8.85938754 0.31260846 0.03251299 -0.16212604 Cu 3.56644856 0.01155190 7.04853231 -0.23534550 -0.22931276 0.17446907 Cu 5.28616344 1.79112407 7.05493101 0.15003609 -0.29641228 0.17327050 Cu 5.27699483 -0.00035508 8.85602522 0.11111660 0.25160193 -0.29452351 Cu 3.54194724 1.75196571 8.87178057 -0.02387335 0.08437774 0.08569852 Cu 7.06544538 -0.02063130 7.08073663 0.08499120 -0.05898887 0.21185209 Cu 8.83742088 1.73530096 7.10928320 0.12259486 0.08562992 0.06455268 Cu 8.86461675 0.01122609 8.85625657 -0.60610978 0.51033256 -0.50126525 Cu 7.04035421 1.78263378 8.87727136 0.35560525 -0.34251567 0.07556893 Cu -0.02273473 3.50346963 7.13129340 -0.10985086 -0.00746380 -0.16671660 Cu 1.74653646 5.28339529 7.04300374 -0.05648039 0.17477907 0.33400356 Cu 1.77909156 3.52765018 8.87456197 -0.13820579 -0.10359719 0.11781799 Cu 0.00325291 5.27414496 8.86946419 0.31700529 0.17386400 -0.32767152 Cu 3.53260336 3.55625297 7.08213965 -0.16027025 -0.22133087 0.16097370 Cu 5.27782872 5.31815630 7.06998030 0.30393625 -0.19203152 0.30902367 Cu 5.33053489 3.50490260 8.84579691 -0.30278260 0.27565620 0.37636139 Cu 3.50706993 5.29827466 8.87539509 0.14032904 0.04018858 0.16472869 Cu 7.05424417 3.53092315 7.10708444 0.34034599 0.00950330 -0.30943245 Cu 8.86083829 5.28064853 7.05312177 0.16716981 0.14027445 0.03875873 Cu 8.87723276 3.55978365 8.82714655 -0.28818801 -0.16188077 -0.20039407 Cu 7.09725540 5.29231962 8.84270817 0.03582130 0.09709584 0.24550945 Cu 0.02573911 7.09788177 7.07488779 -0.20015732 -0.06963833 0.13765655 Cu 1.78458878 8.82222273 7.03898619 -0.17374631 0.31515419 0.40089086 Cu 1.78111716 7.06938426 8.87551990 -0.22283807 0.08980945 0.00815888 Cu -0.01203697 8.82359300 8.84919960 0.60612591 -0.50611444 -0.55610021 Cu 3.53356153 7.06035258 7.06687335 -0.17423016 0.26732848 0.33464688 Cu 5.28614198 8.85407036 7.04698182 0.11863271 0.11580780 0.11578306 Cu 5.32081337 7.06854243 8.81215996 -0.06753053 0.17491857 0.33259548 Cu 3.51842331 8.84892081 8.85739546 0.05872172 -0.31802784 -0.34467539 Cu 7.07964596 7.04097816 7.06323659 0.18219643 0.37533233 0.10014271 Cu 8.82752079 8.82859596 7.08142179 -0.34120185 -0.34176273 0.10605644 Cu 8.86113390 7.06701677 8.85535649 -0.49101317 0.03679165 -0.46013947 Cu 7.04252663 8.87453984 8.84940423 0.09426405 -0.51961998 -0.49215407