108 Lattice="12.107410211474829 0.0 0.0 0.0 12.107410211474829 0.0 0.0 0.0 12.107410211474829" Properties=species:S:1:pos:R:3:forces:R:3 energy=-477.4209415459525 stress="-0.004809895554518961 0.0030673916065780934 0.000704852399126531 0.0030673916065780934 -0.0019330244387287905 -0.0015427486900239176 0.000704852399126531 -0.0015427486900239176 -0.005569393694429024" free_energy=-477.4209415459525 pbc="F F F" Cu 0.01080154 0.01967095 0.03220195 0.53125744 0.54180056 0.54107906 Zr 2.01815773 2.02280805 0.01726778 -0.66462693 -0.64780843 -2.08089361 Zr 2.00278142 0.02341969 1.99189077 -0.63732736 -1.49615380 0.12293774 Zr 0.03059779 2.04927823 2.04416445 -1.57589542 -0.94957100 -0.16890055 Cu 4.11472401 0.01830800 0.01995744 -0.17196896 0.34399671 0.27858955 Zr 6.05216960 2.01846206 0.02156050 0.91069716 0.64967915 -1.11750233 Zr 6.02684302 0.02642574 1.97808334 0.49023883 -1.90940509 -0.50859649 Zr 4.06384564 2.01972639 2.04274968 -0.41944250 0.24299604 -0.21105843 Zr 8.08375866 0.03292125 0.01024631 1.04872922 -0.03241612 0.11822099 Zr 10.10629957 1.99476143 0.03417585 -0.88752655 0.26691926 1.19881137 Cu 10.09242943 0.01047785 2.08765576 -0.78728160 0.95770295 -0.19479652 Cu 8.05332242 1.99429145 1.99396082 0.61485520 0.38093369 -0.04506676 Cu 0.02446282 4.07696469 0.00056697 0.36542384 -0.07368083 0.39502127 Zr 2.03131574 6.03151992 0.03751873 -0.99305220 1.69908623 -1.84765795 Zr 2.00943414 4.07527842 2.02812561 -0.43051171 -1.32687263 -0.21996933 Zr 0.01843229 6.03286379 2.04674187 -1.83681394 1.23061386 -1.54709902 Zr 4.05541090 4.05040906 0.00105874 0.64410146 -0.25801180 -1.78750187 Zr 6.05320225 6.07115104 0.00443364 0.70851166 0.04633231 -1.47582909 Cu 6.07092839 4.05467140 2.05061332 0.38348270 -0.02529962 0.00969151 Zr 4.01799326 6.03078297 1.99739716 1.13922214 1.12289204 0.10253598 Cu 8.03966422 4.01125752 0.02247746 0.32446869 -0.16635711 0.69276821 Cu 10.05813750 6.04032300 0.03139404 -0.75214775 -0.01700607 0.74545943 Cu 10.12035670 4.04606823 2.07716855 -0.88196618 -0.14682202 -0.11135934 Zr 8.06468524 6.02280680 2.00197676 0.98083516 -1.88362689 -0.06426279 Cu 0.02770766 8.13237027 0.01272095 0.97063769 0.13258512 0.95733511 Cu 2.03048507 10.05431642 0.01447673 -0.09813697 -0.99778125 1.02511841 Cu 2.00427545 8.10327864 2.04471050 -0.27189700 0.26254471 -0.66084935 Cu 0.03695976 10.12982456 2.00873510 0.94074357 -0.95926024 -0.13878723 Cu 4.03844928 8.06217306 0.01027456 -0.17057451 0.33035924 0.42474155 Zr 6.02110526 10.12250012 0.02486878 0.47403175 -0.37078628 -0.04076630 Zr 6.07313944 8.09166588 2.03477500 0.59231537 0.85310190 -0.69252083 Zr 4.00296713 10.07630619 2.05580943 -0.25523132 1.09947621 -1.52415467 Cu 8.08482335 8.03137069 0.00735076 0.36673138 0.44130950 0.44843368 Zr 10.12751624 10.06977205 0.03710030 -1.10841373 -0.95243986 0.94258058 Zr 10.07108082 8.03895254 2.00103471 0.62926388 0.75818594 -0.67550079 Cu 8.06458736 10.09723468 2.04491471 0.28057013 -0.50472073 -0.31481533 Cu 0.00406431 0.02526785 4.01776851 0.77744641 0.74138016 0.13626137 Cu 2.01275146 2.04109640 4.00064672 -0.13377637 -0.34020847 0.45016740 Zr 2.04144375 0.00229574 6.09186348 -0.75924099 0.78762621 0.55140927 Cu 0.02256882 2.00765923 6.03802543 0.77558971 -0.23868473 0.06935472 Zr 4.06314190 0.03509530 4.04941235 -1.11167868 -1.22129739 0.74222566 Zr 6.08247169 2.03979185 4.04418333 0.75244913 1.36816033 -0.58448988 Zr 6.05746363 0.00059594 6.08555781 -1.19547384 -1.67804455 0.69117771 Cu 4.07011156 1.96640383 6.02326054 -0.45738563 0.03282744 0.28408735 Zr 8.03753260 0.03095965 4.06018219 2.14973216 -1.07370858 -0.96348879 Cu 10.08252173 2.05306650 4.03851973 -0.78181198 0.04621529 -0.16528646 Cu 10.05229175 0.00337682 6.01700817 -0.54376374 0.65387279 0.00657187 Zr 8.10745637 1.99778598 6.03590156 2.67722032 1.62646712 0.29886425 Zr 0.00700610 4.05276289 4.00832080 -1.78337168 -0.79019300 1.64083864 Zr 2.04783493 6.04925863 4.02198454 -0.71759569 1.09250736 0.28658727 Zr 2.02303314 4.03251456 6.02948968 -1.68305795 -2.27753096 0.84820080 Cu 0.06253551 6.09352029 6.05711712 0.11066514 -0.18015059 0.12144554 Zr 4.06999779 4.05492409 4.06586032 0.67241047 -0.85473110 -0.19334582 Cu 6.02221191 6.05474577 4.05177601 0.28181299 -0.11850351 0.00604691 Zr 6.05869141 4.06868607 6.11630790 1.06024298 0.46772354 -0.14153025 Zr 4.00727519 6.02260596 6.10075870 1.94234730 1.32404746 -0.21698139 Cu 8.08109272 4.06222470 4.01494644 0.32470366 -0.02038406 -0.12087227 Cu 10.09874438 6.00123082 4.06685639 -0.58666778 -0.16340286 0.02785522 Cu 10.12330548 4.08293551 6.09423883 -0.84519609 -0.00276942 -0.00809014 Zr 8.10793902 6.05813538 6.07886277 0.77820346 0.01096554 0.55997329 Zr 0.03440340 8.07284973 4.07393509 -1.62194807 0.76930553 -0.29609539 Zr 2.05202783 10.05604368 4.01313333 -1.11309562 1.77374414 0.03448248 Zr 2.03045702 8.11193142 6.06338068 -0.56535002 1.23192386 0.75141406 Cu 0.00384875 10.08656699 6.03398602 0.54050240 -0.46732076 0.08667836 Zr 4.07092979 8.11085756 4.00316099 1.14981582 0.15894845 1.12120791 Cu 6.09898842 10.08747664 4.03369363 -0.00492353 -0.33330214 0.14422779 Cu 6.03688707 8.07155452 6.00905662 0.11209225 0.05274985 0.11419873 Cu 4.05270749 10.10858134 6.03108015 0.18914579 -0.41303337 0.03025173 Zr 8.05115995 8.04285903 4.01496036 0.51943884 0.72132728 0.88377390 Cu 10.10334511 10.09180599 4.10115762 -0.72722945 -0.76598921 -0.03479207 Cu 10.09058425 8.06155708 6.03415152 -0.62442952 0.06886320 0.09271589 Zr 8.09644122 10.03962007 6.03477216 0.69064801 -0.04692711 0.14427870 Cu 0.03292865 0.00562759 8.06788160 1.20659000 0.94097866 0.31145065 Cu 1.98728366 1.98165531 8.06197189 -0.23132170 -0.38624888 0.48604402 Zr 2.00626275 0.03111930 10.11790787 -0.24105114 1.73078806 -1.68403104 Cu 0.02335341 2.00250556 10.06143522 1.33322998 -0.35890232 -0.97547253 Cu 4.02478380 0.03531798 8.03266259 -0.37988031 0.66926339 0.40791716 Zr 6.02554405 2.03131074 8.09002481 -0.89912913 -0.28799373 1.58648177 Cu 6.05834193 0.00058884 10.11490552 -0.01711156 0.77021975 -0.74518973 Cu 4.00945947 2.02278825 10.11224228 -0.31414501 -0.34583075 -0.71016053 Zr 8.09043047 0.01944539 8.06103161 1.38903217 -1.16244518 1.09259678 Cu 10.07828530 2.02371810 8.07772823 -0.68540326 0.07090144 0.14262950 Cu 10.08574012 0.01095443 10.12602181 -0.82620254 0.77692011 -0.73834325 Zr 8.10154403 2.01890351 10.08532405 0.81584585 0.36597068 0.31332766 Cu 0.01485364 4.06460045 8.10942155 0.65925907 -0.25471716 0.11330884 Zr 1.98436363 6.02559292 8.11745415 -1.52464279 -0.91088776 0.00723728 Cu 2.01567553 3.99935820 10.08016230 -0.28314547 -0.35573446 -0.54663498 Zr 0.01791488 6.07659273 10.10709070 -0.53138487 -0.95496293 0.46102708 Zr 3.99122100 4.04646945 8.07601700 0.11807669 -1.83541174 1.62268126 Cu 6.03346112 6.06916647 8.06264489 0.39048524 0.17394310 0.31869082 Cu 6.11889086 3.99534702 10.05287689 0.02483315 0.15193179 -0.50502215 Zr 4.00389438 6.02551928 10.08338217 1.42225788 -0.47294314 1.50240083 Cu 8.09668274 4.07190073 8.08555083 0.36137383 0.04551095 0.29348222 Cu 10.11494227 6.08118443 8.07292378 -0.81091447 -0.05469950 0.09716060 Cu 10.10113497 4.07732641 10.12544967 -0.98699987 0.05719399 -0.87636476 Zr 8.03951548 6.08842133 10.07986661 -0.11307117 -0.47406844 -0.74462002 Zr 0.00297363 8.10233536 8.05738968 -1.25521162 1.23878010 -0.06676301 Cu 2.00149361 10.09177301 8.10632010 -0.06733158 -0.43473823 0.10945610 Zr 2.05607996 8.07019438 10.10189725 -0.36299592 2.03528895 1.32787458 Cu 0.01636729 10.10742056 10.06608557 0.71491655 -0.79235304 -0.72263315 Zr 4.05462291 8.10960224 8.05402658 1.32630187 1.34860405 0.39602928 Zr 6.10449387 10.11249154 8.03954938 -0.29208058 -0.06321956 0.27939737 Cu 6.06257749 8.10116430 10.11704971 0.09549724 0.07225959 -0.63938728 Cu 4.07231181 10.10797952 10.08628324 0.06755109 -0.70040400 -0.69562335 Cu 8.09213837 8.03710344 8.08787000 0.06443128 0.09559500 0.02780581 Cu 10.10028890 10.06413145 8.07337869 -0.87097076 -0.82365938 0.07552829 Zr 10.04083413 8.08573647 10.07448798 -0.04933965 -0.00401734 -0.81517566 Zr 8.08121837 10.05843419 10.11583147 0.05087868 -0.45588146 -0.48186670