108 Lattice="10.60430479799908 0.0 0.0 0.0 10.60430479799908 0.0 0.0 0.0 10.60430479799908" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.45367982578824 stress="-0.007685144747503973 -3.318639344432162e-05 1.9699753217730296e-05 -3.318639344432162e-05 -0.007558697561852225 -0.0015710902148289132 1.9699753217730296e-05 -0.0015710902148289132 -0.007213944870882127" free_energy=-310.45367982578824 pbc="F F F" Cu 0.02582343 0.01678235 0.03192388 0.43882064 0.48073413 0.34666182 Cu 1.77795827 1.83061400 0.02922370 0.05818743 -0.20070590 -0.43488574 Cu 1.74329764 0.02217044 1.76910232 0.27003336 -0.58261853 -0.03713986 Cu 0.02175864 1.75725699 1.77736862 -0.56636981 0.26575436 -0.15336704 Cu 3.56048982 0.03189020 0.00388835 -0.19401908 0.16012901 0.24185249 Cu 5.28320720 1.79082918 0.01516737 0.36283913 -0.06086439 -0.36209390 Cu 5.33016184 0.02701884 1.78027352 -0.08062262 -0.43479766 -0.21037066 Cu 3.51909136 1.75566319 1.79389232 0.28949100 0.27702094 -0.18925259 Cu 7.09010108 0.00387336 0.00067257 -0.12277296 0.46457697 0.39902616 Cu 8.86248404 1.76567640 0.00544225 -0.41228061 0.03540598 0.41183161 Cu 8.80561458 0.01297373 1.82728241 -0.12675188 0.16937426 -0.18799318 Cu 7.09205041 1.77592545 1.79631892 -0.28286417 0.13213283 -0.40737853 Cu 0.02241514 3.55838282 0.00027888 0.13312731 -0.12023999 0.29348856 Cu 1.79739954 5.26694217 0.01557933 -0.06181926 0.34976538 -0.45395492 Cu 1.81782583 3.56799632 1.81302562 -0.37496185 -0.20049144 -0.30655809 Cu 0.02810732 5.32926695 1.73729077 -0.41631815 -0.15182062 0.33779253 Cu 3.55679007 3.56885144 0.00101345 -0.12620345 -0.32251048 -0.44883461 Cu 5.28818106 5.30839994 0.03528457 0.19059614 0.09750515 -0.91134620 Cu 5.32446848 3.56098428 1.73607653 -0.22718902 -0.54144360 0.67524994 Cu 3.55364798 5.29601470 1.79446485 -0.09790255 0.16410416 0.14272984 Cu 7.11016837 3.56550148 0.00870712 -0.17549111 -0.50614508 -0.59969297 Cu 8.82744991 5.28875912 0.04567576 0.00494352 0.21005328 -0.06097799 Cu 8.84539223 3.52338840 1.78359112 0.57979476 -0.01093222 -0.11140642 Cu 7.05153598 5.26833733 1.73870507 0.26268104 0.56023650 0.47421436 Cu 0.02017890 7.03628529 0.00047618 0.45359484 0.14859827 0.27047620 Cu 1.79543274 8.86736596 0.02812129 -0.14354093 -0.44541271 0.20664207 Cu 1.78966819 7.08271414 1.79831729 -0.03145153 -0.32685312 -0.40587335 Cu 0.00274082 8.81624522 1.78195526 0.19143020 -0.21098966 -0.20974236 Cu 3.53689177 7.05054387 0.00270736 -0.14421124 0.16875377 -0.39632353 Cu 5.30476187 8.85699159 0.00299428 -0.11953326 -0.13243912 0.16491924 Cu 5.32499873 7.07256179 1.73515558 -0.21203667 0.09556657 0.40834038 Cu 3.50543499 8.83818722 1.74681998 0.29604064 0.45120974 0.10835397 Cu 7.03420085 7.10538007 0.02881802 0.35373761 -0.17148238 -0.64747154 Cu 8.87110840 8.83628677 0.02890128 -0.58293013 -0.50060481 0.49788497 Cu 8.82935265 7.06038922 1.73715713 0.21132147 0.01739162 0.39621749 Cu 7.05707186 8.84727506 1.76407700 0.25913745 0.37824214 0.16001719 Cu 0.00189489 0.00712912 3.55384678 0.14503525 0.07109366 -0.11353375 Cu 1.75486688 1.78147160 3.49518667 0.14538795 -0.19243617 0.34693283 Cu 1.80061189 0.01293743 5.27970608 -0.23181546 -0.47891195 0.13773119 Cu 0.00621182 1.75374729 5.27701689 -0.39897201 -0.03365690 0.24190316 Cu 3.54737402 0.01776503 3.53390201 -0.18325686 -0.60734044 -0.20364257 Cu 5.30133951 1.77135803 3.56572966 0.10811350 0.36678636 -0.57257872 Cu 5.27841559 0.03087802 5.28002509 0.26615721 -0.67860102 0.29699387 Cu 3.51353355 1.76950745 5.29500619 -0.17309742 0.11810156 0.17669738 Cu 7.03857881 0.02592209 3.52528205 0.27080751 -0.50791449 0.34135294 Cu 8.83656908 1.78378158 3.52952563 0.42111892 -0.19966891 0.18774228 Cu 8.85980592 0.01155124 5.30519066 -0.42185088 0.35879254 0.00634577 Cu 7.03616635 1.79782335 5.33099300 0.39621169 -0.36863620 -0.32090455 Cu 0.00905738 3.50550319 3.53701370 -0.60879728 0.24393143 -0.23805549 Cu 1.77653313 5.28645544 3.56304546 0.07460284 0.39867510 -0.15997073 Cu 1.76366303 3.52569611 5.28248260 0.13339848 -0.08721210 0.45263220 Cu 0.00356570 5.29382336 5.27456626 -0.38574341 0.25087071 0.25925006 Cu 3.52145643 3.50730663 3.56624460 0.41211796 0.34444062 -0.24476336 Cu 5.31677855 5.32880364 3.55376597 -0.19694016 -0.52095116 -0.29500969 Cu 5.29696996 3.50442426 5.28170800 0.09761659 0.63908249 0.13452323 Cu 3.53295614 5.33081374 5.32315038 0.12244590 -0.26252836 -0.33759362 Cu 7.09166647 3.56008074 3.51765159 -0.49006340 -0.30701957 0.08723409 Cu 8.83182351 5.27407450 3.56093573 0.56619042 0.36402870 -0.40662357 Cu 8.82949190 3.50114454 5.27832961 0.61275042 0.06903606 0.32231481 Cu 7.07793645 5.30479767 5.28015759 -0.26566520 -0.03045653 0.56602277 Cu 0.03442188 7.09104111 3.51929281 -0.58238499 -0.28063920 0.18248404 Cu 1.73939826 8.83156592 3.50419101 0.42161284 0.60546354 0.18706543 Cu 1.80229756 7.10212736 5.31905120 -0.21261388 -0.29040013 -0.25059342 Cu 0.04609513 8.85598538 5.28830639 -0.04974926 -0.14966985 0.02692477 Cu 3.56935807 7.06754562 3.50350589 -0.28210904 0.08350059 0.15928523 Cu 5.30208766 8.86578597 3.50532121 0.02463480 0.31864206 0.09804254 Cu 5.30707376 7.05291005 5.26924679 0.16036721 0.27383862 0.50062584 Cu 3.53584905 8.81049103 5.31282556 -0.01597492 0.59792579 -0.18951320 Cu 7.03987321 7.04928033 3.53728246 0.37781640 0.25167473 -0.47162606 Cu 8.86180471 8.82480134 3.54529288 -0.33600234 -0.27733394 -0.22979212 Cu 8.81393850 7.06377736 5.27753143 0.59272779 0.05869636 0.25116299 Cu 7.09444061 8.81269260 5.29959746 -0.16272988 0.53118779 0.03219904 Cu 0.02424588 0.01083809 7.08752817 0.11610417 0.13171365 -0.25935494 Cu 1.73720448 1.73400584 7.09000381 0.40098878 0.41563371 -0.34386118 Cu 1.75958168 0.01186753 8.82387582 0.25920346 0.06951693 -0.12185656 Cu 0.03040870 1.74163583 8.85529119 0.09281975 0.24101593 -0.21710649 Cu 3.55602692 0.02444407 7.05199983 -0.23271591 -0.56387594 0.09824417 Cu 5.27931493 1.79512161 7.05364271 0.25790766 -0.14805740 0.19651761 Cu 5.27789140 0.00011610 8.81921559 0.13598718 0.18274492 -0.14521156 Cu 3.53676929 1.76081138 8.82843191 0.00178066 0.06396930 0.41117579 Cu 7.06566435 0.03338833 7.07761467 -0.16231513 -0.58129645 -0.23164748 Cu 8.80290759 1.76348944 7.10468268 0.66416142 0.15975835 -0.27733797 Cu 8.82982350 0.03346789 8.81159456 -0.35747455 0.27905879 -0.32293490 Cu 7.07163496 1.74246222 8.83262310 -0.19895415 0.18325817 0.47112039 Cu 0.01946178 3.51577378 7.04612256 -0.30161316 0.09585242 0.20491779 Cu 1.79741272 5.33555057 7.04150168 -0.38555487 -0.34561371 0.22174178 Cu 1.79560671 3.49044494 8.84880719 -0.20451203 0.21742755 0.14059499 Cu 0.01790832 5.29565784 8.83287311 0.31754454 -0.03469625 -0.34623667 Cu 3.56773396 3.54312667 7.03988363 -0.46837481 -0.13329004 0.16711436 Cu 5.28769661 5.33417803 7.09434012 0.54664738 -0.29703538 -0.30242065 Cu 5.34523977 3.51108538 8.84512591 -0.15418221 0.09813909 0.33919900 Cu 3.50656220 5.27181610 8.83336282 0.15762864 0.10259725 0.52049390 Cu 7.09104621 3.53089998 7.03530496 -0.32911112 0.18750483 0.26931931 Cu 8.82336893 5.31053970 7.07220569 0.48583122 -0.04225694 -0.11503369 Cu 8.80198470 3.54503780 8.87069888 -0.09172909 -0.14675722 -0.24658789 Cu 7.08801594 5.27757855 8.82804847 -0.11264547 0.26858520 0.39560966 Cu 0.01788251 7.09802436 7.07263877 -0.39732242 -0.31197757 -0.14368996 Cu 1.74171137 8.85268622 7.04670675 0.38611115 0.30771545 0.30946452 Cu 1.76998207 7.05865398 8.85210782 0.12967002 0.08050689 0.19208724 Cu 0.02299904 8.80335167 8.82036280 0.42427854 -0.35560886 -0.34897612 Cu 3.56963805 7.05185743 7.07514532 -0.26372515 0.43624358 0.26923577 Cu 5.28243715 8.85666441 7.04331901 0.20744774 0.19186946 0.20114464 Cu 5.32643897 7.05799362 8.85635377 -0.09072968 0.17189935 0.32955298 Cu 3.51735049 8.85102474 8.84858383 0.01180840 -0.37522122 -0.38846970 Cu 7.10280022 7.11023134 7.09526283 -0.44096607 -0.24845878 -0.28313694 Cu 8.86281743 8.85717571 7.08846292 -0.35723747 -0.30110880 -0.20094632 Cu 8.82759499 7.09757521 8.80445535 -0.19036806 -0.12056387 -0.06171397 Cu 7.05022311 8.85710066 8.83761228 -0.06424290 -0.25778749 -0.34331187