108 Lattice="10.60429481992944 0.0 0.0 0.0 10.60429481992944 0.0 0.0 0.0 10.60429481992944" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.38141902467606 stress="-5.5025507576943244 0.3269431834218246 0.4890495958298047 0.3269431834218246 -6.020420107025068 -0.2806683091245894 0.4890495958298047 -0.2806683091245894 -5.524285429858773" pbc="F F F" Cu 0.03468499 -0.02915904 -0.02950873 0.57780996 0.62093721 0.58362455 Cu 1.78391779 1.80051632 0.00002523 -0.13592067 -0.32872421 -0.37381982 Cu 1.79803025 0.00387010 1.73605428 -0.17788994 -0.30658205 0.18792857 Cu -0.00881726 1.73407958 1.77248914 -0.12042510 0.00915664 -0.07516488 Cu 3.56339366 0.00945131 0.02038926 -0.18517746 0.04295366 -0.12285121 Cu 5.32587870 1.74190367 0.02524889 -0.25942836 0.42305385 -0.62366082 Cu 5.27489839 -0.01483535 1.76830927 0.27129534 -0.60406234 0.20242173 Cu 3.55085670 1.74427123 1.75338749 -0.09710373 0.41415257 0.24865919 Cu 7.03805171 0.03337827 0.02882831 0.18824036 -0.07935781 0.10202492 Cu 8.82427413 1.76922802 0.02503349 -0.22410664 0.13915849 0.26166870 Cu 8.85670426 0.00415195 1.76861274 -0.45549614 0.36651661 0.16704839 Cu 7.04875831 1.75717905 1.73475257 0.30572486 0.27708357 0.56929532 Cu 0.03424694 3.54293728 0.05413714 -0.10300345 -0.15787270 -0.17201424 Cu 1.80377612 5.29214093 -0.00270670 -0.23407696 0.28033915 -0.52586962 Cu 1.78233658 3.55590764 1.73707282 0.22428079 -0.43845241 0.30792942 Cu -0.00761041 5.27124394 1.75713630 -0.41445220 0.46585932 0.08025329 Cu 3.51087627 3.54169312 -0.01108382 0.37175763 -0.23666274 -0.41166507 Cu 5.27224969 5.28712126 -0.00922484 0.28536874 0.25551590 -0.36234010 Cu 5.29901984 3.56534302 1.78806609 -0.02576724 -0.43851306 -0.13950602 Cu 3.53762111 5.33595691 1.74677688 0.04468326 -0.10807281 0.32311458 Cu 7.05763314 3.54308359 0.02381224 0.08641163 -0.06072768 -0.45447110 Cu 8.83194657 5.27754282 0.00560657 -0.26699742 0.22196057 0.20787974 Cu 8.86994520 3.56195502 1.78717510 0.28474805 -0.45022254 -0.19160426 Cu 7.08682226 5.26910697 1.80599254 -0.31409875 0.54852547 -0.29004365 Cu 0.00158465 7.00448570 0.02845823 0.33359325 0.14249714 0.25518674 Cu 1.77124557 8.81260496 0.01547567 -0.11410761 -0.17050351 0.13884239 Cu 1.79208845 7.07431685 1.77738502 -0.29585618 -0.18112934 0.03036315 Cu 0.03255444 8.82949768 1.76747679 0.22006229 -0.23927585 0.00919761 Cu 3.51012320 7.09781696 0.00962495 0.11710806 -0.20618263 -0.70885078 Cu 5.30327738 8.80287241 -0.01494605 0.01117320 0.09920140 0.05699577 Cu 5.29124812 7.09792115 1.74798257 0.16795923 -0.68428925 0.24927048 Cu 3.53834425 8.82322391 1.74601717 -0.04980991 0.69301967 0.20464123 Cu 7.04506357 7.09740328 0.03141049 0.29540879 -0.38766790 -0.45367093 Cu 8.86850180 8.83774335 0.00698611 -0.65779197 -0.61447572 0.66469133 Cu 8.80415685 7.05140999 1.79254987 0.48968845 0.06696530 -0.18175951 Cu 7.04238066 8.80926826 1.79816008 0.33579767 0.68647589 -0.43223574 Cu 0.03234571 -0.00170776 3.53180501 0.20192702 0.22518151 -0.12145105 Cu 1.80904763 1.80332762 3.52880791 -0.26714569 -0.19827645 -0.14002595 Cu 1.74492962 0.02766346 5.28237110 0.12911536 -0.36942844 0.20271273 Cu -0.02360546 1.77852409 5.29071695 -0.14469333 0.15476977 0.07154091 Cu 3.53558450 -0.02369596 3.55106347 -0.15362132 -0.32753187 -0.11799803 Cu 5.32865938 1.73588218 3.51964752 -0.10295805 0.44383161 0.13493094 Cu 5.27457839 -0.02806292 5.31035928 0.30240819 -0.25910369 0.09260337 Cu 3.55785650 1.78596393 5.29290044 -0.14003608 -0.05197350 0.18313141 Cu 7.06261955 0.03372559 3.57201982 0.17586306 -0.57086160 -0.20299321 Cu 8.80710897 1.77939986 3.54069605 0.43993417 -0.16077715 -0.11954007 Cu 8.86923041 -0.03423892 5.30377556 -0.44073768 0.46253441 0.13270560 Cu 7.07005663 1.78314643 5.35144343 -0.18032871 -0.23093163 -0.22588117 Cu 0.02258709 3.54292924 3.47787757 -0.54938022 -0.34592445 0.27208722 Cu 1.76161721 5.26770113 3.48625203 0.29775147 0.49677109 0.28808422 Cu 1.79051657 3.55373743 5.31352237 -0.12492707 -0.29977347 0.08560379 Cu 0.03373524 5.27566422 5.27805848 -0.53163666 0.18971434 0.04607677 Cu 3.54549212 3.54016284 3.52891281 -0.14568621 -0.12321603 -0.26888972 Cu 5.29007485 5.27772937 3.51922347 0.14295039 0.58510126 -0.17500664 Cu 5.26900736 3.56934696 5.26966599 0.38707136 -0.36411472 0.52632368 Cu 3.55469818 5.31042292 5.28665782 -0.33957712 -0.05796495 0.20483880 Cu 7.08978429 3.55838908 3.55778327 -0.33116146 -0.47492964 -0.18171592 Cu 8.86544237 5.26835692 3.51802137 0.39900681 0.41437295 0.41727614 Cu 8.80213388 3.50731961 5.31686345 0.67528652 0.18082857 0.15672598 Cu 7.03888715 5.32911017 5.29257193 0.32678067 -0.18892895 0.13101133 Cu 0.00548227 7.10075267 3.51675115 -0.35239956 -0.24284675 0.08427170 Cu 1.78789715 8.81617678 3.54720805 -0.16955036 0.62022722 -0.03852537 Cu 1.78396189 7.05633885 5.28796081 -0.13033870 0.09488273 0.15729660 Cu -0.03187072 8.86186266 5.31273008 0.41704500 -0.38149114 -0.00551715 Cu 3.54371048 7.09519086 3.55099364 -0.07525963 -0.43673478 -0.31044393 Cu 5.34491359 8.80319484 3.50552070 -0.34576702 0.81080218 0.23730917 Cu 5.29401057 7.04338697 5.27593505 0.13148703 0.23129308 0.28697389 Cu 3.56884982 8.84676284 5.27614439 -0.16182679 0.42450555 0.37581504 Cu 7.07265608 7.09759620 3.56125230 0.11273172 -0.69900028 -0.27136853 Cu 8.81144828 8.86583477 3.50357777 -0.01167618 -0.21791299 0.06789695 Cu 8.85133344 7.08207580 5.33531625 0.41564369 -0.05573556 -0.30057166 Cu 7.09435755 8.81239733 5.28599148 -0.24117137 0.58596546 0.34194479 Cu 0.01456244 0.03216641 7.09952618 0.19076795 0.18677481 -0.14560498 Cu 1.76350583 1.73225206 7.09474758 -0.12896004 0.33239584 -0.30539684 Cu 1.79243091 -0.01017256 8.84409899 -0.03122140 0.28482522 -0.27140875 Cu -0.03057649 1.76826386 8.85536748 0.51488278 0.13883360 -0.35620204 Cu 3.55058615 0.01647815 7.04916309 -0.14278836 -0.40156999 0.15416066 Cu 5.31937240 1.79344665 7.08621499 -0.28435190 -0.08556223 -0.19295401 Cu 5.31270488 -0.00440601 8.83758814 -0.17025393 0.21129980 -0.15366869 Cu 3.50216704 1.77077522 8.84442793 0.30155871 -0.10633254 0.45211550 Cu 7.04459297 0.02417611 7.09705559 0.27127963 -0.48438815 -0.14271255 Cu 8.84062897 1.74636486 7.10955384 0.29108215 -0.05459666 -0.04493286 Cu 8.86398761 -0.01753348 8.86799788 -0.66901817 0.60609030 -0.59795067 Cu 7.04064882 1.75732622 8.87165041 0.34818766 0.03683420 0.33456888 Cu 0.00011187 3.55652177 7.09324038 -0.28262864 -0.30655684 -0.18299573 Cu 1.77825939 5.32670703 7.08425392 -0.11409956 -0.01915276 -0.34078778 Cu 1.78895301 3.54916066 8.81284022 -0.38584354 -0.16528649 0.66193948 Cu -0.01630243 5.28997642 8.82041896 0.19767525 0.13505996 -0.08891167 Cu 3.50055245 3.52123642 7.09896907 0.42092707 0.12046819 -0.41620820 Cu 5.32107056 5.32867794 7.09814699 -0.19630216 -0.35726391 -0.34786295 Cu 5.33369501 3.53983208 8.81631118 -0.31014733 0.04930662 0.64119139 Cu 3.50299529 5.33158515 8.81279109 0.30298345 -0.10640250 0.71037603 Cu 7.07024425 3.52810186 7.07950936 0.08454908 0.19182430 -0.10471286 Cu 8.86266117 5.32415991 7.03919534 0.21018009 -0.13382259 0.18717027 Cu 8.85134939 3.53879148 8.83046127 -0.30958345 -0.02170051 -0.25268084 Cu 7.07525809 5.31432693 8.82088771 0.31760311 0.05620108 0.49289125 Cu -0.00520143 7.04937386 7.04282296 -0.33385881 0.12784746 0.05012075 Cu 1.73894620 8.82824274 7.08682393 0.18936908 0.19398864 -0.27883875 Cu 1.74841249 7.06094689 8.83993447 0.00240047 0.10340087 0.32906952 Cu 0.03236893 8.83169081 8.87175038 0.42884927 -0.54386306 -0.56994674 Cu 3.56100534 7.04829476 7.06012085 -0.35915768 0.31129250 -0.09400481 Cu 5.28845908 8.80380605 7.10234124 0.23253436 0.50584680 -0.32553155 Cu 5.31582938 7.06723654 8.85356237 -0.09017178 -0.02226696 0.53888568 Cu 3.52430513 8.82745713 8.81342091 -0.10545380 -0.21275937 -0.08180073 Cu 7.05918694 7.05952484 7.06249589 0.20150663 0.24448548 0.07893519 Cu 8.83265630 8.86007064 7.05182291 -0.41176119 -0.34307495 0.10870257 Cu 8.86742059 7.09537473 8.81554065 -0.45676205 -0.09560113 -0.40264577 Cu 7.03460393 8.81891107 8.85974321 0.18130199 -0.30049660 -0.39110945