108 Lattice="12.175950451467386 0.0 0.0 0.0 12.175950451467386 0.0 0.0 0.0 12.175950451467386" Properties=species:S:1:pos:R:3:forces:R:3 energy=-437.6870344939934 stress="-0.002749896011013906 -0.0016000363008927974 0.0022184836333738224 -0.0016000363008927974 -0.003632564861928458 -0.0019785926822283684 0.0022184836333738224 -0.0019785926822283684 -0.003520063600089649" pbc="F F F" Cu 0.02978877 0.03243140 0.03367619 0.78070827 0.71415089 0.76826667 Cu 2.03262257 1.99191318 0.01340161 -0.38440007 -0.37036697 1.02330178 Cu 2.03363418 0.01199659 2.02623562 -0.35532730 0.77963218 -0.33288438 Cu 0.00580210 1.97611378 2.07984633 1.07755383 -0.22865171 -0.10469256 Cu 4.02066464 0.03038545 0.01079870 0.00891082 0.93370106 0.76255499 Cu 6.14694490 2.06612642 0.03956900 -0.19666482 -0.47306872 0.62968571 Cu 6.05737697 0.01841985 2.10254466 0.02991145 0.38422378 -0.35107757 Zr 4.06857119 2.01809989 1.99118228 0.10203312 -0.98341513 -0.41284350 Zr 8.09908430 0.03881327 0.00465831 -0.97342192 0.09390343 0.28052209 Zr 10.15753942 2.04229800 0.02685017 0.50261693 0.60262483 -0.11637941 Zr 10.16610531 0.02982222 1.99468422 0.51069290 -0.11523925 0.75337414 Cu 8.15736466 1.98342725 1.99798045 -0.44975803 0.25731358 -0.07096695 Cu 0.02157833 4.11029389 0.03614385 0.73414052 -0.20727536 0.53313814 Zr 2.02939655 6.07937195 0.01523782 -0.57113320 -0.99567003 -2.09010835 Cu 2.02228870 4.04767549 2.00007843 -0.69941418 -0.57944939 0.08328950 Zr 0.00343166 6.09436893 2.00044046 -1.09828080 -1.77364314 0.75800487 Zr 4.05161989 4.03136842 0.01108644 0.59525721 -0.66836013 -1.13598252 Cu 6.12037061 6.09365754 0.06245085 -0.17886554 -0.08757670 -0.04359785 Cu 6.12459839 4.06229484 1.98834576 -0.30574587 -0.36385477 0.00525899 Zr 4.02756024 6.06561210 2.00186562 1.43882579 -1.10948373 1.12688694 Zr 8.11178565 4.01815916 0.01974155 -0.26625862 -0.01003375 -0.23026044 Cu 10.17212329 6.05441671 0.01159889 -0.44177556 -0.20260101 0.48179847 Cu 10.17247295 4.04186333 2.01920541 -0.33332298 -0.11401923 0.04107314 Zr 8.13121473 6.05307779 2.00043453 -0.84544532 -0.46566212 -0.74024702 Zr 0.03413642 8.11763911 0.02890155 -0.67463853 1.32151169 -0.52239648 Cu 1.97880360 10.12852935 0.00700706 0.00857256 -0.53578256 0.63049853 Zr 2.04660591 8.08211291 2.03169708 -0.28039513 2.66879650 0.39633531 Cu 0.00197916 10.17704573 2.04201289 0.76690839 -0.77721345 0.11869253 Zr 4.09371600 8.14771239 0.00419948 0.85006940 1.12851451 -0.83356767 Cu 6.07105187 10.13931888 0.00031446 0.10977049 -0.37291943 0.62700808 Cu 6.07506327 8.10255353 2.06816595 -0.02054666 0.79570666 -0.29046904 Cu 3.99441671 10.12535871 2.00633640 0.21851568 -0.52428705 -0.05051079 Zr 8.15047653 8.15888552 0.01692116 -0.62032665 -0.02555060 -1.14817442 Cu 10.15220291 10.14860393 0.02087385 -0.44922544 -0.40692997 0.48648838 Zr 10.11942398 8.08834388 2.06573253 2.25579153 0.87399336 -0.86235302 Zr 8.14284096 10.18387106 2.06499570 -0.50425746 0.97008825 -0.11563595 Cu 0.01134713 0.03419374 4.06691727 0.61605603 0.58956232 -0.25761168 Zr 1.99317555 2.00138981 4.08996413 -0.32843700 -0.09426597 -0.89558472 Cu 2.06036042 0.02385882 6.06279261 -0.16170832 0.27095859 0.07407808 Zr 0.02923759 2.04306095 6.07329378 -0.70410357 -0.11659385 0.50546922 Cu 4.06470274 0.00341422 4.05668965 -0.07874249 0.36290035 -0.40550905 Zr 6.12009363 2.02971133 4.09397137 -0.25108266 -0.09157406 -1.70192002 Zr 6.09162671 0.02484273 6.12190567 0.00785686 -1.79495587 0.61580983 Zr 4.08728233 2.04688221 6.12476184 -1.47649094 -0.43694703 -0.37292317 Zr 8.09314961 0.00521630 4.07685362 0.28834531 -0.45134810 -0.94324480 Cu 10.10819097 1.98998514 4.05441255 -0.32068578 0.04947149 -0.18029784 Zr 10.11308099 0.01808909 6.08524035 0.07768544 0.09076184 -0.24796056 Cu 8.12632035 1.97479376 6.13595101 0.29121411 0.23783440 0.19532774 Cu 0.00664060 4.07688232 4.07845077 0.56027985 -0.03025873 -0.36184068 Cu 2.03028029 6.11535739 4.07600853 -0.08869006 -0.85101586 0.33695318 Cu 1.99738265 4.08178596 6.09090502 0.19097312 0.07736115 -0.09829035 Zr 0.03000566 6.08388577 6.05324853 -0.49451384 -0.18969144 0.14090293 Cu 4.03265994 4.05155076 4.07298070 -0.05767354 0.48633490 -0.49132511 Cu 6.07715791 6.08593649 4.02693575 -0.43973418 -0.44505148 -0.00673945 Zr 6.07430429 4.09309359 6.11414126 -0.48228182 1.04615726 0.22745762 Cu 4.05438091 6.05102703 6.13542239 -0.33941208 -0.07434283 -0.31454496 Zr 8.08130627 4.02760146 4.05527697 0.81850788 -1.44349807 -1.25168247 Zr 10.13815574 6.08752102 4.09035498 2.34877958 -0.80576372 -0.77450668 Zr 10.15273957 4.02393038 6.12671505 0.99118951 -0.72952293 0.38589807 Zr 8.10799356 6.05464405 6.06295567 -0.25868659 0.21991007 2.31051467 Zr 0.00578888 8.11715937 4.03534658 -0.36117778 0.91453622 0.00589600 Cu 2.06861156 10.14063710 4.05483483 -0.20021140 -0.43162098 -0.01169807 Cu 2.05224524 8.09590656 6.09085139 -0.00663208 0.66200081 -0.07632187 Zr 0.00122848 10.10736087 6.05321730 0.84170278 -0.43024362 0.84875385 Zr 4.05920454 8.11398274 4.04976340 -0.18468566 0.85433242 0.75353453 Cu 6.07073938 10.15947009 4.03279174 -0.12643021 -0.31387789 0.14068325 Zr 6.08999830 8.13636779 6.03800937 0.04977050 0.01547361 0.25886731 Cu 4.09721397 10.12106712 6.04020516 -0.40703975 -0.43614326 0.16163701 Zr 8.08952930 8.09920172 4.04282725 -0.79164246 1.83653612 0.18698750 Cu 10.15837976 10.16253718 4.04137914 -0.49105944 -0.47043497 0.30258937 Zr 10.12156499 8.10302426 6.11681378 0.95711562 0.78807268 0.42675286 Cu 8.14693822 10.15843065 6.11339442 -0.04008330 -0.36345828 -0.33370801 Cu 0.03567341 0.02143450 8.11863022 0.39029800 0.31071429 -0.08604867 Zr 2.06977756 2.04484996 8.09281110 -0.71050693 -0.49929958 -1.01319318 Zr 2.05236165 0.01047438 10.15685013 0.09840218 -0.97041424 -0.03748728 Zr 0.03043006 1.98847271 10.15527306 -1.00833723 0.19002485 -0.06393663 Cu 4.10874442 0.02320659 8.08639258 -0.31367034 -0.27875109 0.28466051 Zr 6.11717816 2.07331939 8.11653798 1.56047633 0.21993548 1.40641940 Zr 6.12577664 0.00483025 10.11638362 0.30056967 -0.38139447 -0.26472548 Zr 4.02580635 2.02616500 10.13343671 1.07205361 0.35020555 1.12693372 Cu 8.14773143 0.00060163 8.08543901 0.34550090 0.33012577 0.45697090 Zr 10.16736939 2.02813186 8.15778063 -0.52796410 -0.95356263 0.96002684 Cu 10.15967723 0.03674376 10.15485321 -0.76168757 0.84693082 -0.79382160 Cu 8.12115810 2.02938306 10.17809684 0.18864982 0.06099925 -0.52196471 Cu 0.00266517 4.09014076 8.12751881 -0.04308541 -0.19096003 -0.16228315 Zr 1.99733493 6.08287891 8.11466807 0.44113718 -0.46931690 -0.92204804 Zr 2.01475441 4.03285676 10.13068411 0.43782368 0.81434884 1.16392546 Zr 0.02589917 6.09005055 10.17638094 -1.38867180 0.15367818 0.15940706 Cu 4.09263771 4.02634806 8.08837551 -0.03234850 1.28387385 0.52243781 Cu 6.11823493 6.03128611 8.13222498 -0.40726560 0.22947685 0.64115452 Cu 6.15050021 4.10835055 10.15511055 -0.03522059 -0.35430084 -0.74746297 Cu 4.02929082 6.12660347 10.16611062 0.16791740 -0.07588274 -0.58630981 Cu 8.13152505 4.01912073 8.09454123 0.12103972 0.21221334 0.73526675 Cu 10.17156553 6.04799280 8.11728054 -0.41104709 -0.01879313 0.25285850 Zr 10.18252882 4.03731908 10.15505315 -0.13479117 0.26447796 -0.11125554 Zr 8.10412340 6.03589392 10.13883173 -0.75800512 0.10336304 -0.84665229 Cu 0.00985051 8.14238807 8.13485301 0.49115569 0.39685536 -0.24225942 Cu 2.01468076 10.17322802 8.10040081 -0.08690548 -0.61414237 -0.03659999 Zr 2.00806445 8.11694864 10.16516092 -0.31823087 0.29901782 0.93466936 Zr 0.00968574 10.18530489 10.12062047 0.64308736 -0.51713591 -0.92858747 Zr 4.01878149 8.10069961 8.13324525 0.27390406 -0.35218589 -0.38095978 Zr 6.10842184 10.11009641 8.10683059 1.25951460 0.71620654 0.29325646 Cu 6.11616028 8.09456705 10.12725674 0.13084100 0.10042418 -0.69322643 Zr 4.00109573 10.17319387 10.13059668 -0.00797375 0.50972054 0.47371836 Cu 8.14585717 8.16273724 8.08288130 -0.37399004 0.04882887 0.55249113 Zr 10.15810897 10.13570395 8.06392867 -0.87984337 0.27964822 0.34120073 Zr 10.08850620 8.05583586 10.10854196 -0.11798466 0.17432598 -0.30820862 Cu 8.09005461 10.16051506 10.18099383 0.10581197 -0.85395757 -0.76480029