108 Lattice="12.035873228871267 0.0 0.0 0.0 12.035873228871267 0.0 0.0 0.0 12.035873228871267" Properties=species:S:1:pos:R:3:forces:R:3 energy=-440.7527601894402 stress="-0.0009669219116259363 -0.0011730229363432596 0.0002779749300750826 -0.0011730229363432596 -0.004528772991667194 0.00045102000906326305 0.0002779749300750826 0.00045102000906326305 -0.004569554607980079" free_energy=-440.7527601894402 pbc="F F F" Cu 0.02807223 0.03493598 0.00157272 0.74756854 0.73165367 0.66473352 Cu 1.98222073 1.95786259 0.04882875 0.17834352 -0.00634481 0.18431430 Zr 2.06191120 0.00718381 2.01976638 -0.21834585 -0.25553067 -0.67270303 Zr 0.01676850 2.01748481 1.97814842 -0.34855641 -0.13412568 -0.61331289 Zr 3.98724393 0.02209902 0.01256849 -0.52626298 -0.14120704 -0.84215750 Zr 6.04651963 2.02158231 0.01004575 0.67711210 -0.16259967 -0.60591152 Zr 6.04536512 0.03908355 1.98049235 1.45241502 -1.01497319 0.07757588 Cu 4.02820571 2.01593699 1.98348555 -0.69874981 0.68400440 0.38716068 Cu 8.06588656 0.02148257 0.03565868 0.12567101 0.85547011 0.52863485 Cu 10.05223825 2.01979823 0.02221606 -0.91527833 -0.17150443 0.98367434 Zr 10.05223599 0.03532046 2.01468516 -1.13304477 0.34984240 -0.56168416 Cu 8.05039355 1.99482720 2.00601890 0.56114495 -0.06115890 -0.33344997 Zr 0.03204233 3.96087956 0.00697452 0.66566776 0.30046679 -0.61054704 Cu 2.02258544 6.04564475 0.02330484 0.02816567 -0.26850497 0.08166976 Cu 2.05301777 3.94535797 2.02155521 -0.02511743 0.00379717 -0.02824470 Zr 0.01332003 6.01244456 2.02457196 -0.35218765 -0.07305044 0.37588758 Zr 4.05084307 3.97625760 0.00374126 -1.69126687 -0.80235046 -0.65846306 Zr 5.98657000 6.05091589 0.01918372 1.01369383 0.72376324 -1.38483584 Cu 6.01081661 4.02034799 1.99807657 -0.12648741 -0.81487564 0.18990802 Zr 4.02798296 5.98340792 1.97401620 -1.05318651 -1.25718581 0.88821472 Zr 8.04844679 4.02384876 0.04231477 1.35167070 -0.68220078 -0.23184047 Cu 10.00763796 5.98340313 0.01797524 -0.60092688 0.34677992 0.65419519 Cu 10.01615971 4.01308044 1.98256652 -0.09200430 -0.36811515 -0.18784883 Zr 8.05454950 6.00847564 2.02319015 0.03252678 0.79788250 -0.93372067 Zr 0.01534223 7.98684633 0.02774946 0.08945360 0.59341707 -0.66757644 Cu 2.03942422 10.01538557 0.03434816 0.01583386 -0.34154537 0.66216385 Zr 1.97705650 8.05876092 2.04450168 -0.51191461 1.45425898 0.41447435 Cu 0.00308106 10.00962649 2.03858652 0.71337332 -0.87023323 0.01379911 Zr 4.03036457 8.05379229 0.03780443 -0.78818036 0.86302495 -0.97936069 Zr 6.03710981 10.01513488 0.03485735 0.87168393 -0.36501704 0.83761445 Cu 6.04240900 8.01047251 2.06662293 0.42123385 1.27099312 -0.14812985 Cu 4.05825775 10.06791602 1.99166731 -0.11403767 -0.60861605 0.28064165 Cu 8.03647977 8.03845277 0.02309133 -0.02820214 0.09620344 0.43456424 Zr 10.00031260 10.06210082 0.06967463 -0.99577306 -0.17972514 0.18690159 Zr 10.00825587 8.06316860 1.97312016 -0.01958454 0.47089487 0.03524232 Cu 7.99810098 10.01899019 1.98074476 0.11421227 -0.79167837 0.25593408 Zr 0.01541309 0.03856063 3.98163192 -0.98099975 -1.07754412 0.24309035 Cu 1.97894377 1.97723807 4.03905893 0.75985810 0.84533997 -0.13225035 Zr 2.02153446 0.02803507 6.03330181 0.65455591 -2.23182531 -0.07442398 Zr 0.03372405 2.01272177 6.04583234 -1.53624344 0.66374104 -0.70347366 Zr 4.03424128 0.03107124 4.02283937 0.07458340 -1.53050298 -0.05424510 Zr 6.01907579 2.01458596 4.03915291 0.71892795 0.60537338 -0.31261108 Cu 5.99903341 0.01694709 6.03270961 0.27393835 0.52004438 0.48845193 Zr 4.02755035 1.99168778 6.01520264 0.74968648 1.53522421 0.98197118 Cu 7.96121031 0.02910138 4.02567561 0.17991706 0.64876120 0.27371316 Zr 10.00381247 1.98042921 4.00644625 0.19635213 -0.56610214 0.04521020 Cu 10.00650350 0.00965733 6.07656290 -0.86319140 1.00410857 0.13956815 Cu 7.97124540 1.98331491 6.01515238 0.01483310 -0.41780251 0.81315059 Zr 0.03634346 4.02855217 4.01541036 0.16931613 0.47607117 0.71314685 Cu 1.97623747 6.07752905 3.99641439 0.17236172 -0.34329152 0.74875535 Cu 1.97375796 3.99724241 6.01923871 0.46559073 0.57997931 -0.00210127 Cu 0.00638487 5.99554574 6.08968079 0.80660273 0.09259996 -0.32546958 Cu 4.02355534 4.04312050 4.05120156 -0.53172938 -0.09545753 -0.28265023 Zr 6.01851469 6.04714092 4.04063737 -0.93792933 -0.70314672 -0.39376151 Cu 6.03840188 4.04637123 6.02399587 -0.26348037 -0.54576281 0.85553568 Cu 4.03735550 6.02472075 5.97615021 -0.81193624 -0.74187658 0.08963794 Zr 8.00344103 4.04455084 4.03779681 -0.43642639 -1.72599978 -0.94234650 Zr 10.06541835 5.99087265 4.02499316 2.11748528 0.19042012 -1.04670627 Zr 10.03424218 4.01812931 6.01728983 0.92764694 -0.76272050 2.20634632 Zr 8.00525838 6.01772577 5.99640504 0.60054057 -0.88628385 1.13107755 Cu 0.03884762 7.97171484 4.01782947 0.83573041 0.22857590 0.33745361 Cu 2.04200416 10.04489420 4.01820552 -0.58079180 -0.52227348 0.20019782 Cu 2.01860774 7.99371246 6.04184535 -0.60273692 -0.00940602 -0.83790098 Cu 0.00596791 10.05903673 6.01478135 0.92743998 -0.81984996 -0.10953299 Zr 4.00491939 8.03791983 3.96657875 -0.43037211 0.92384064 0.10120914 Cu 6.03155704 10.00374914 4.00237502 0.10492125 -0.51889101 -0.59360091 Zr 6.03365841 7.95446294 6.03501471 -0.45758362 0.55177274 -1.67871065 Zr 4.03664383 10.06080049 5.97985226 -0.60979985 1.70472390 -1.35766524 Cu 8.00763778 8.00697207 4.00191689 0.01878752 1.02642554 -0.53452752 Cu 10.00763947 10.02364455 3.97624798 -0.55803494 -0.58271988 -0.47143420 Zr 10.01032120 7.98863425 5.96941449 1.75770397 0.84821669 0.20355913 Zr 8.00016617 10.00958021 5.99173441 0.79740801 1.79929277 -1.53317504 Zr 0.01835890 0.00901901 7.98585362 -1.48819330 -0.89269280 0.74698871 Zr 2.04329240 2.02053334 7.99408546 1.28904263 0.71878210 1.30531730 Zr 1.97970534 0.01261393 10.01337466 0.86464628 0.19610996 0.36166786 Cu 0.00077919 1.97292144 10.01785004 0.38631986 0.23598908 -0.52371363 Cu 4.02425812 0.03097973 8.04673660 0.29511712 0.38966165 0.09046011 Cu 5.98236949 2.02902976 8.06647076 0.21013863 -0.21183266 -0.20927110 Zr 6.03364311 0.03339357 10.03734517 0.14676088 1.01350720 -0.97179980 Cu 4.02912906 1.99810957 10.01463531 0.23182966 -0.03804314 -0.78254450 Cu 8.05537577 0.01100283 8.02804218 0.20220411 0.95420330 0.19024567 Cu 10.05067591 1.99692759 7.98802281 -1.04200222 -0.41741160 0.19846243 Zr 10.01537349 0.01151614 10.00687651 -1.29773979 0.96950622 -1.04017094 Cu 8.04378813 1.94584105 10.00834800 0.32178920 0.12346230 -0.97232781 Zr 0.01040997 4.04266766 8.01759265 -1.03980471 0.41163248 -0.44774986 Cu 2.01985338 6.05184251 8.00938605 0.09931442 -0.02114952 -0.37939546 Zr 2.02222650 4.04943399 10.04809196 0.52245602 -0.88465153 0.91630095 Zr 0.01215031 6.03593279 10.01266686 0.00819871 0.69351975 0.76943982 Cu 4.03827205 4.03462194 8.07525361 -0.33306415 0.01685491 -0.49921124 Zr 6.02873026 6.02243883 8.01216914 -0.75326153 -1.43864237 -0.16649069 Zr 5.97319166 4.02419801 10.06006760 0.20330519 -2.03986684 0.37102591 Zr 3.99662005 6.04057882 10.05395873 -0.69957506 0.93942581 1.05020643 Cu 7.98456413 4.01393492 8.06932808 0.67897250 -0.70912190 0.02232290 Cu 10.06888242 6.04346471 8.01376022 -0.52362714 -0.27876584 0.39530138 Cu 10.05137984 4.01332457 10.06152487 -1.01564068 -0.41760013 -1.10242104 Zr 8.05322506 6.02839488 9.99633803 1.32017782 -0.03473250 0.84676479 Zr 0.01793010 8.01819810 8.06137070 -0.04408127 0.11949306 -0.69159501 Zr 2.03914775 10.00255621 7.98925258 -0.81571928 0.79653190 0.76624992 Cu 2.03114230 8.01171824 10.01805698 -0.29634824 0.22231539 -0.32732735 Cu 0.02469603 10.01840006 10.04122674 0.59219349 -0.81352298 -0.58377586 Zr 4.00347988 8.01615451 7.99382107 -1.22588422 -0.63451936 1.07769657 Zr 6.06588418 9.99873837 7.98516228 -0.14502669 1.81031439 2.38323668 Cu 6.01859629 8.00241270 10.05650446 0.11714296 0.34265335 -0.29961667 Cu 4.02117876 10.06168505 9.98984669 -0.04200329 -0.84426404 -0.55424757 Zr 8.05458184 8.03854493 8.00612221 1.82554196 0.72782032 2.57775097 Cu 10.01659110 10.05998112 8.04725623 -0.77320878 -0.60906238 0.25754323 Cu 10.03429061 8.02682954 10.05890876 -0.59290419 0.17175827 -0.93592891 Cu 8.04125999 10.03607131 9.99436198 0.26933778 -0.90262642 -0.70239990