108 Lattice="10.604302723819416 0.0 0.0 0.0 10.604302723819416 0.0 0.0 0.0 10.604302723819416" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.4654921780418 stress="-2.155494512745877 0.9943100042425352 -1.7789802525943879 0.9943100042425352 -2.199727822086892 0.22678897731896797 -1.7789802525943879 0.22678897731896797 -1.4434182259489021" pbc="F F F" Cu 0.01624365 -0.02419303 -0.00567907 0.48197164 0.60252650 0.51044971 Cu 1.79421564 1.73421148 -0.03336583 -0.14785358 0.14435826 -0.14189821 Cu 1.74605449 -0.00827991 1.74136111 0.17179529 -0.30602970 0.21969127 Cu 0.01433730 1.77504813 1.78473143 -0.39389949 -0.13326406 -0.19461519 Cu 3.51313929 0.00390869 -0.01117687 0.19145629 0.18451322 0.27092623 Cu 5.31732975 1.79710424 -0.02984415 -0.12031963 -0.32306154 -0.38154263 Cu 5.33429178 -0.00737901 1.74510133 -0.15572676 -0.34098032 -0.11233653 Cu 3.56963402 1.77690434 1.76963674 -0.40078401 -0.25295334 -0.14985918 Cu 7.04105316 -0.00790233 -0.03514825 0.08278980 0.38672951 0.38985910 Cu 8.81731300 1.75367422 -0.03424385 -0.32429908 0.05398260 0.45824206 Cu 8.85248210 -0.02632913 1.75090845 -0.53226404 0.45008847 0.03090601 Cu 7.08173151 1.76875323 1.75534764 0.11975005 -0.18584072 -0.05797582 Cu 0.02432768 3.48930493 -0.01019898 0.14560604 0.04640643 0.24548586 Cu 1.75797184 5.26857400 0.01018064 -0.07593903 0.46789006 -0.36979017 Cu 1.77261992 3.53733367 1.75060221 -0.10693804 -0.16971059 0.23333894 Cu -0.02440014 5.30940547 1.79766346 -0.24136609 0.04355899 -0.24004057 Cu 3.51320869 3.53986882 0.03149590 0.13157416 -0.17480198 -0.77836216 Cu 5.29803402 5.31165766 0.02853486 0.17754328 0.04303510 -0.60736672 Cu 5.31627074 3.50348671 1.74848330 0.22497488 0.30252159 0.30876680 Cu 3.56367535 5.27172572 1.76217564 -0.23163016 0.48404799 0.20437634 Cu 7.06105584 3.51399605 -0.03074396 0.23487468 0.19259841 -0.28768359 Cu 8.83234668 5.33702331 -0.01833442 -0.12925713 -0.13707164 0.12206393 Cu 8.85323880 3.56506354 1.75525814 0.33204132 -0.21951114 -0.22473825 Cu 7.09109907 5.32072664 1.73427150 -0.38496354 -0.18064788 0.21662205 Cu -0.00191495 7.09361748 -0.00819237 0.47934804 -0.18871097 0.47356717 Cu 1.76797066 8.84357270 -0.03312712 0.09530126 -0.45173615 0.53634275 Cu 1.79429476 7.04761621 1.77943106 -0.19232836 0.02890574 -0.21485325 Cu 0.02770815 8.81799647 1.78980933 0.31355577 -0.25544767 -0.11000938 Cu 3.56148253 7.09746603 0.01001571 -0.27895128 -0.19894934 -0.44758864 Cu 5.33197188 8.84255224 0.00889073 -0.02139844 -0.13016199 0.10916280 Cu 5.30667082 7.09590543 1.77876393 0.23896323 -0.37593337 -0.09952855 Cu 3.54961094 8.80423262 1.78029449 -0.34795144 0.80668709 -0.27441201 Cu 7.09906073 7.08343655 0.01425159 -0.25206397 0.06408050 -0.57679945 Cu 8.87195675 8.83306956 -0.00082641 -0.57739823 -0.46543243 0.52987221 Cu 8.82416440 7.08686738 1.74300916 0.52026372 0.10413924 0.22998711 Cu 7.05089568 8.82752009 1.77646743 0.24712005 0.47342776 0.10107497 Cu -0.01993090 0.00537542 3.57511473 0.21026394 0.29548943 -0.16330074 Cu 1.77713204 1.74377247 3.49060495 0.06201255 0.20980380 0.22996848 Cu 1.74036101 0.02358372 5.28734360 0.13719287 -0.53930989 0.15934933 Cu 0.01880557 1.80460836 5.35370846 -0.50906158 -0.25867635 -0.23660418 Cu 3.56479159 0.01090435 3.55612216 -0.31913519 -0.75197035 -0.41021917 Cu 5.27313306 1.74400740 3.51618615 0.52638656 0.45095654 0.15079947 Cu 5.30371493 -0.00516976 5.30908917 0.22424074 -0.40271843 0.18885164 Cu 3.55162978 1.74679217 5.26739455 -0.06683752 0.50301035 0.50519279 Cu 7.04803731 -0.00316120 3.52840879 0.24999136 -0.27686613 -0.06943778 Cu 8.87183061 1.76580210 3.49459183 0.25826953 -0.03599484 0.04915347 Cu 8.83978881 0.01095790 5.26859006 -0.33278227 0.32054424 0.18433538 Cu 7.08231690 1.79610252 5.27644687 -0.04554373 -0.17284561 0.14887197 Cu 0.03185342 3.52987285 3.55481574 -0.57323253 -0.19876048 -0.22302822 Cu 1.75637886 5.29547008 3.54452618 0.45027404 0.23186081 -0.24198866 Cu 1.79130282 3.53517398 5.29372917 0.22065236 -0.29580910 0.17852992 Cu 0.02926541 5.27443953 5.28496855 -0.61290670 0.33599586 0.26244060 Cu 3.54312500 3.56832949 3.52203938 0.04206984 -0.33312823 0.13190083 Cu 5.30392443 5.33319928 3.54296866 0.11885813 -0.32559032 -0.25611520 Cu 5.33444734 3.56711456 5.33560559 -0.20681924 -0.54962637 -0.33662895 Cu 3.55681250 5.27448015 5.33400360 -0.21674311 0.49540329 -0.36313903 Cu 7.09208930 3.51026141 3.50215589 -0.27642969 0.16471945 0.07679018 Cu 8.80238380 5.33514640 3.50291568 0.69218589 -0.20340121 0.08231677 Cu 8.86459260 3.55860747 5.31772222 0.37078743 -0.17974875 -0.21612135 Cu 7.05960717 5.28027104 5.28478200 0.04890644 0.15141662 0.15608839 Cu 0.01758139 7.09833334 3.55324909 -0.52565729 -0.29540513 -0.24100410 Cu 1.76122961 8.83999353 3.55926298 0.09891499 0.47638278 -0.21955457 Cu 1.77192094 7.06146841 5.29007453 0.27886170 -0.22235452 0.26922840 Cu -0.00932348 8.78072382 5.30320837 0.12039123 0.20722430 0.11138243 Cu 3.56229122 7.10355146 3.51551993 -0.38619636 -0.67455553 0.34869130 Cu 5.27358261 8.83908759 3.53054061 0.41454975 0.64067421 0.13511223 Cu 5.33166719 7.09092857 5.30157590 -0.13701456 -0.07027923 0.21807349 Cu 3.51851947 8.83868535 5.29857869 0.17591975 0.45997053 0.18292881 Cu 7.06780732 7.05156338 3.55781226 -0.06587777 0.33584736 -0.38985036 Cu 8.84754265 8.84469213 3.54609465 -0.21859862 -0.25785625 -0.18891953 Cu 8.81881520 7.06047907 5.28001403 0.59564317 -0.01467542 0.09952845 Cu 7.10037700 8.85652947 5.28503109 -0.24025389 0.36882378 0.11634526 Cu -0.02031368 -0.03251032 7.08468618 0.40614815 0.46323877 -0.11287267 Cu 1.77662064 1.73855450 7.05178177 0.09285218 0.45692411 0.19096852 Cu 1.75072754 0.03385642 8.83676190 0.07426833 0.12224608 -0.22748353 Cu 0.03437607 1.78789147 8.83281989 0.17874190 0.05527011 -0.35455969 Cu 3.53779342 0.01454802 7.09376644 -0.10307205 -0.48568321 -0.22714755 Cu 5.33569264 1.74749301 7.10401383 -0.19240536 0.44663316 -0.30665244 Cu 5.30970025 -0.03288112 8.81112301 -0.01799962 0.16566476 0.04636433 Cu 3.52928623 1.75483141 8.84299103 0.02345644 0.16275022 0.37152110 Cu 7.05627609 0.03454258 7.10204605 0.36251875 -0.51581567 -0.33027076 Cu 8.81861360 1.79145612 7.09339373 0.36427670 -0.25501410 -0.21775697 Cu 8.83314546 0.01167019 8.86873661 -0.49952106 0.51292960 -0.55351307 Cu 7.07507287 1.74957888 8.87213665 -0.09588722 0.28383281 0.35251455 Cu -0.00378902 3.55220479 7.05869169 -0.28112837 -0.03756507 0.33740307 Cu 1.77083426 5.26725570 7.09114114 -0.06559640 0.44069021 -0.14620755 Cu 1.77041500 3.54847565 8.86984770 -0.00686341 -0.14428301 0.17961323 Cu -0.00249050 5.35250125 8.86447250 0.19534943 -0.11627609 -0.36077801 Cu 3.56674512 3.55626337 7.08117841 -0.31883451 -0.67994432 -0.11093846 Cu 5.28327617 5.33017641 7.08873302 0.61574678 -0.02478469 -0.16259353 Cu 5.28620756 3.56568738 8.84917711 0.33191817 -0.30081673 0.41546670 Cu 3.55266193 5.30676152 8.82227010 -0.34416773 0.14056262 0.69424330 Cu 7.08315166 3.56408384 7.06548747 -0.24694472 -0.32847653 0.16493578 Cu 8.82837193 5.31213057 7.06273005 0.63543126 0.10747186 0.06081125 Cu 8.84429964 3.52449626 8.81055266 -0.04963379 -0.05612027 -0.01331246 Cu 7.12660161 5.27100857 8.85404331 -0.29147127 0.35570474 0.37353836 Cu 0.00480784 7.10421511 7.04688106 -0.23672583 -0.37407106 0.18572194 Cu 1.79781606 8.83808917 7.06619170 -0.10475635 0.28151511 0.11717840 Cu 1.75350317 7.05529957 8.84266532 0.18329466 0.20698332 0.17699072 Cu -0.00896089 8.85162601 8.81207394 0.58843913 -0.55901138 -0.52373392 Cu 3.55246257 7.06765234 7.05166602 -0.30850336 0.19927605 0.11538266 Cu 5.33601054 8.85290780 7.09368277 -0.18460987 0.23048574 -0.23534875 Cu 5.28767053 7.05105739 8.83034452 0.27802573 0.15816442 0.46149347 Cu 3.53631502 8.85700166 8.86730498 -0.03868081 -0.41072821 -0.38722591 Cu 7.10227197 7.04165791 7.06024409 -0.27959417 0.14889030 0.11164518 Cu 8.84881162 8.81304095 7.01869596 -0.27419560 -0.25101995 0.13802923 Cu 8.86072755 7.09459910 8.84765267 -0.39541798 -0.10727805 -0.41100326 Cu 7.04804908 8.81349181 8.80243285 0.16866240 -0.27014946 -0.16372603