108 Lattice="12.191720888058367 0.0 0.0 0.0 12.191720888058367 0.0 0.0 0.0 12.191720888058367" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.3792669118009 stress="0.0015746301246777874 -0.0034615465139048694 0.0033948517441283067 -0.0034615465139048694 -0.005127063561218637 -0.0029938912971147723 0.0033948517441283067 -0.0029938912971147723 -0.0030180252514944717" free_energy=-443.3792669118009 pbc="F F F" Cu 0.00147677 0.04017291 0.03460045 0.59796751 0.72531617 0.50389774 Cu 2.04041841 2.00727378 0.00259409 -0.09169622 -0.45063609 0.28155780 Cu 1.99231361 0.00856428 2.00593313 0.18952778 0.52655961 0.04163147 Zr 0.04797524 2.00377315 2.03346696 -0.32001724 -1.62564529 -0.10111800 Cu 4.04721408 0.02225143 0.02173448 -0.07797365 0.68129768 0.47309091 Cu 6.07310956 2.00626661 0.01284223 0.34945803 0.07282847 0.62899376 Zr 6.08586734 0.01428921 2.05471702 0.75031464 -0.80728869 -0.77888909 Zr 4.05721690 2.00374298 2.00561669 -0.84371784 -0.47457821 -0.00016547 Cu 8.15059206 0.00845956 0.02151715 0.06505189 0.73037373 0.69687973 Cu 10.19738912 2.03928320 0.01637168 -0.76159703 -0.09222189 0.71225715 Zr 10.12617199 0.01945235 2.05237949 -1.01737880 1.12960073 0.34245720 Cu 8.09198914 2.03615730 2.00734105 0.10004913 -0.25952187 -0.52599032 Zr 0.03392533 4.02464241 0.01358616 -0.68987997 -0.06761484 -0.70514234 Zr 2.02099219 6.09229624 0.01048555 -0.88440275 0.23017307 -1.79206840 Zr 2.00888966 4.07204880 2.01578718 0.15895592 -0.75499182 0.74456037 Cu 0.04161153 6.08137159 1.99598257 -0.17632264 0.06777693 0.36801837 Zr 4.02978347 4.09047106 0.03377175 0.78940656 -1.45641501 -1.95545066 Zr 6.13475399 6.13036211 0.01234500 1.68589829 0.03350301 -0.26443752 Cu 6.11352996 4.02498308 1.98651218 0.58532148 -0.42916114 -0.09720033 Zr 4.07676216 6.08268438 1.99960647 1.97296854 -0.48793987 1.55669194 Cu 8.10275249 4.03725113 0.02387960 0.00087913 -0.14713733 0.79062574 Cu 10.14679600 6.09572831 0.01990397 -0.84729450 0.25622054 0.67839854 Zr 10.16761860 4.10390254 2.06306266 0.08252660 -0.86879083 -1.16947273 Cu 8.16073984 6.11638765 2.00376794 -0.26539211 0.00646923 -0.46163197 Zr 0.01436953 8.11975979 0.04710826 -0.19389147 0.39229759 0.13184475 Cu 2.08743394 10.19436347 0.00414852 -0.22060737 -0.43324624 0.40480020 Zr 2.04017948 8.16519095 2.06831403 -2.15900897 0.40855743 -0.22031301 Cu 0.01404995 10.10362030 2.03462627 0.43383660 -0.19604718 0.10762245 Zr 4.01667896 8.09858489 0.00088408 0.24509695 0.82355743 -1.91695455 Zr 6.09781051 10.17300585 0.07272991 1.16967869 -0.27206778 -0.10800050 Cu 6.05537654 8.13551684 2.03879397 0.80850652 0.27714910 0.04219230 Zr 4.02487486 10.15909426 1.98800653 0.64477307 1.53746068 0.38986270 Cu 8.12946993 8.17911682 0.01863921 0.07518188 0.09818348 0.77800467 Zr 10.16144427 10.19869993 0.02031291 -1.00481454 -0.45604195 0.49336040 Zr 10.16051030 8.16540690 2.06627359 -0.02026201 0.07025550 -0.81207626 Cu 8.09943695 10.13250843 1.99132143 -0.02316093 -0.41334721 -0.03822237 Cu 0.00728339 0.03509948 4.05190934 0.51069714 0.48846028 -0.14210345 Cu 2.00750851 1.99756757 4.02670048 0.52622648 -0.30833607 0.42168446 Zr 2.01484903 0.01844092 6.06407242 0.59554393 -0.61575777 -0.37380684 Zr 0.00622445 1.99815364 6.10857765 -0.82439643 0.55762079 0.05221982 Cu 4.00939807 0.02633140 4.06529008 -0.07937543 0.37537440 0.07008784 Zr 6.05283912 1.97654381 4.06199363 0.27194761 0.29305428 1.20879969 Cu 6.09256991 0.01405081 6.08196912 0.03387704 0.56770402 -0.03306940 Cu 4.02407293 1.99142670 6.12617563 0.09561119 -0.25429124 -0.19446618 Cu 8.14467051 0.00505537 4.01202328 0.08870628 0.76419088 0.10624852 Cu 10.15510017 2.00993089 4.12144100 -0.80463418 -0.13749570 -0.22647745 Zr 10.13734662 0.05737452 6.06092135 -0.56035368 0.04743858 -0.48064003 Cu 8.15905666 2.00389642 6.09657661 -0.60670439 -0.36215895 -0.20111430 Zr 0.02722043 4.07700005 4.03865738 -1.08536758 -0.18752379 0.31080989 Zr 2.07193449 6.09022930 4.09001577 -0.24710360 -0.55159594 0.41725059 Cu 2.09572480 4.10247739 6.05759150 -0.00018671 -0.36845320 0.23574549 Zr 0.00174098 6.13129157 6.09440178 -0.95319236 -0.60900881 0.46457450 Cu 4.03344316 4.05770833 4.05011027 0.35850990 -0.06214844 0.50385316 Cu 6.15010560 6.11524875 4.07861102 -0.34768590 -0.40859187 -0.07968871 Cu 6.11530769 4.02603356 6.08094314 -0.10455626 -0.35750680 -0.13249324 Cu 4.03491230 6.07287960 6.15026203 0.10259409 -0.05628693 -0.01503022 Zr 8.14520879 4.08111024 4.02605521 -1.29379019 -1.20249494 -0.61059525 Zr 10.16263636 6.09075836 4.10433204 1.88198941 0.13252886 -0.88795752 Zr 10.19376259 4.03669339 6.08900000 1.63597100 -1.24000761 -0.45852520 Zr 8.15231179 6.06906173 6.12899014 -1.86296276 0.11637146 -0.59122447 Cu 0.01144269 8.15188032 4.06694442 0.06331267 -0.13989745 -0.34415858 Zr 1.99788147 10.18089993 4.11452292 -0.30401012 1.60572800 -0.26629443 Zr 2.01065090 8.15646476 6.08012801 1.61255620 -0.79185038 0.60938369 Zr 0.00765031 10.14056897 6.12707624 -1.53935679 0.84193262 -0.60443749 Zr 4.04273772 8.07872264 4.05234200 2.52358762 0.44958340 1.35591090 Cu 6.08026829 10.17709104 4.11557507 -0.12738337 -0.46938311 -0.17652889 Cu 6.07725886 8.08991690 6.05077974 -0.20328634 0.57332238 0.39756412 Cu 4.07775953 10.17988697 6.06814461 0.21692851 -0.39648529 -0.05797267 Zr 8.09302993 8.09895330 4.06061765 -1.50785544 1.62781380 -0.64867369 Cu 10.18612705 10.16800672 4.00756179 -0.61347526 -0.53153264 0.02051709 Zr 10.19544391 8.09505524 6.12057593 1.41613525 1.50766337 -0.57965424 Cu 8.18543262 10.15137497 6.14705628 -0.28581608 -0.43437195 0.00513550 Cu 0.02411071 0.04933669 8.15096958 0.41545452 0.15913363 0.13214406 Zr 2.03691834 2.03154801 8.11898531 -0.04699900 -0.52250150 -0.62401540 Cu 1.98881408 0.00612201 10.13551951 0.02491778 0.60273567 -0.76722655 Zr 0.01800163 2.07081934 10.10576165 -0.55574786 -0.41947558 -0.02166579 Cu 4.08809209 0.00392663 8.07648953 0.22078068 0.72705558 0.07638456 Cu 6.07507182 2.02416607 8.11071236 0.19170048 -0.36939794 -0.16834473 Cu 6.07846129 0.01087139 10.19201028 0.33201025 0.63269637 -0.78190744 Zr 4.07706798 2.03823852 10.16013435 1.16707263 -1.18365051 0.69312068 Cu 8.14479190 0.00865986 8.18984486 -0.24475931 0.68681141 0.11446646 Zr 10.12546418 2.00745910 8.07381939 0.49280761 -0.67405331 0.45317576 Zr 10.19477852 0.00505319 10.16314787 -0.70827334 0.57641836 -0.48525236 Cu 8.16811836 2.00255530 10.13777470 -0.46498175 -0.42442710 -0.37561790 Cu 0.03032196 4.08268905 8.16471907 0.46700356 0.36486401 -0.28022003 Cu 1.96942241 6.11300420 8.10334876 0.31080728 -0.31200458 0.01569417 Zr 2.03104348 4.04716525 10.12351653 -1.15256490 1.14109515 0.93003135 Cu 0.00829413 6.04905918 10.17463557 0.57024113 -0.16092910 -0.71963480 Zr 4.09960879 4.06139418 8.10636790 0.36694731 -0.16262944 -1.67735150 Zr 6.11151168 6.09427679 8.10870290 -0.96559396 0.19698994 -0.23438690 Cu 6.07009772 4.00807086 10.13914163 0.30560577 0.07421954 -0.29090253 Zr 4.02339599 6.06570336 10.18749175 0.33705805 0.33801092 0.74021701 Zr 8.12282782 4.06721157 8.14971774 -1.62654021 -1.55437158 0.85179898 Zr 10.19469815 6.07675895 8.11489184 1.71449905 0.54177541 1.35643621 Zr 10.19444294 4.04129590 10.16158277 -0.18798472 -0.10945093 0.82732028 Cu 8.10244753 6.10719346 10.09673317 0.04644274 -0.02191118 0.22603639 Zr 0.03475623 8.16245905 8.12519941 -1.65696728 -0.86661378 1.40562800 Zr 2.05731075 10.16629734 8.10117092 1.38188453 1.49710940 0.62299308 Zr 2.03790145 8.16869580 10.13681452 0.08003966 -0.29361497 0.76034997 Cu 0.02183226 10.18199594 10.17131926 0.36628518 -0.34971525 -0.55663946 Cu 4.07815333 8.13210850 8.15475929 0.21238826 0.14807959 -0.40617003 Cu 6.13414079 10.14851818 8.08148388 -0.12860757 -0.56333831 -0.06435249 Zr 6.13320692 8.15007114 10.19730960 -0.78955082 0.31101571 0.72899378 Cu 4.09180867 10.12939654 10.13368702 0.27218232 -0.50384274 -0.48108388 Zr 8.12208083 8.10029281 8.20093356 -0.30633381 0.94698872 -0.24491457 Zr 10.15366303 10.13525951 8.13595509 0.50634677 0.38921323 -0.06394574 Cu 10.19597563 8.10877128 10.14724956 -0.56408389 -0.08664112 -0.34487078 Zr 8.14510234 10.17422724 10.16722166 -0.07416974 0.40586088 0.35922447