108 Lattice="13.145430492779838 0.0 0.0 0.0 13.145430492779838 0.0 0.0 0.0 13.145430492779838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.4934903021125 stress="-0.005491430400222208 4.191868927126842e-05 -0.00011992603778172378 4.191868927126842e-05 -0.005590559985764932 -0.00025178387340575256 -0.00011992603778172378 -0.00025178387340575256 -0.005364201438960868" free_energy=-586.4934903021125 pbc="F F F" Zr 0.03126296 0.00923781 0.01802675 1.04169322 1.03455861 1.00274919 Zr 2.23266769 2.19193309 0.04326309 -0.72211427 -0.26698955 -1.01791547 Zr 2.19980096 0.01783644 2.18493446 -0.43689509 -0.70144821 -0.03241483 Zr 0.03864203 2.17690112 2.20861272 -0.69638844 -0.27213969 -0.39411559 Zr 4.32436942 0.03556409 0.03474582 0.16526734 0.04771144 0.12921969 Zr 6.53049631 2.21244019 0.03099385 0.43757876 -0.40690927 -0.71722187 Zr 6.58212649 0.01067199 2.18692786 0.08397879 -0.67075064 -0.24645330 Zr 4.36611802 2.19038181 2.15431113 0.27856993 -0.01857327 0.54477803 Zr 8.78991220 0.02226952 0.04213773 0.03495221 0.65053789 0.55158219 Zr 10.93924502 2.20330010 0.02998492 -0.53064729 -0.26912476 0.52302107 Zr 10.95051478 0.02962873 2.20098733 -0.65149170 0.54237391 -0.10143823 Zr 8.71986463 2.17959726 2.22312347 0.56595520 -0.12056427 -0.48438831 Zr 0.02717366 4.39031617 0.00584912 0.40063426 -0.11757358 0.39377418 Zr 2.21121863 6.61079895 0.00328813 -0.24935112 -0.35647475 -0.71891415 Zr 2.20673332 4.34183342 2.14262303 -0.10856738 0.41082168 0.28053495 Zr 0.01915037 6.59391009 2.15931954 -0.65960443 -0.17760029 -0.13428973 Zr 4.41431465 4.35983292 0.00226495 -0.26276321 0.20461364 -0.75085509 Zr 6.56819409 6.53237142 0.02016973 0.24492974 0.34104026 -0.84903329 Zr 6.60994956 4.41771836 2.19294349 -0.19165170 -0.43226637 0.12071083 Zr 4.39678942 6.59019604 2.16103045 -0.20236644 -0.21336036 0.43891028 Zr 8.78548629 4.35636279 0.02879511 0.18496545 0.08704948 -0.66792648 Zr 10.97716137 6.62885772 0.00280841 -0.59193831 -0.10831763 0.42239124 Zr 10.96942733 4.36432879 2.13201850 0.40338492 0.15481855 0.16386840 Zr 8.75291630 6.57782142 2.22384467 0.56788039 -0.14244447 -0.55684559 Zr 0.03668491 8.73976679 0.04059904 0.32182669 0.22903632 0.32491618 Zr 2.16898225 10.92306709 0.04355013 -0.15323578 -0.35530900 0.34752194 Zr 2.21798118 8.75702577 2.15778765 -0.47194967 0.38159229 0.21906149 Zr 0.00141468 10.91092234 2.21648998 0.56568062 -0.48475608 -0.12015334 Zr 4.34163783 8.75943884 0.00111588 0.37202348 0.28684109 -0.81880734 Zr 6.54673279 10.97554121 0.03191099 0.04743452 -0.48891371 0.31180417 Zr 6.57368371 8.72987312 2.19042283 -0.17523816 0.47837975 -0.12907930 Zr 4.35746111 10.92395102 2.15092264 0.05013973 0.75328066 0.06051762 Zr 8.75614017 8.78928513 0.04160167 0.14549879 0.11240814 -0.84228918 Zr 10.97057606 10.97835523 0.04119466 -1.02802112 -1.00967273 0.97190571 Zr 10.91648410 8.77104079 2.12422405 0.73176095 0.31347418 0.19628120 Zr 8.73442815 10.94603007 2.14527965 0.33733183 0.66019302 0.12003502 Zr 0.02492428 0.01543999 4.41103871 0.32692222 0.30195070 -0.14812209 Zr 2.18183898 2.19121857 4.40837506 0.09158890 -0.18925644 -0.34882198 Zr 2.21381304 0.00570624 6.56141702 -0.22706936 -0.66154999 0.12312110 Zr 0.02440149 2.17245097 6.59321850 -0.76014124 -0.17843928 0.10189738 Zr 4.41442340 0.01090909 4.34298034 -0.25123864 -0.58079421 0.01123190 Zr 6.60305478 2.18865004 4.38760493 -0.19453423 0.10241204 -0.15667497 Zr 6.55384188 0.00000468 6.54821105 0.14803335 -0.59745616 0.32377037 Zr 4.38894280 2.20546435 6.55172196 -0.04912842 -0.22469473 0.18121561 Zr 8.75596747 0.04264413 4.43972695 0.41259564 -0.87090688 -0.23894581 Zr 10.92914986 2.18130012 4.34206540 0.64666361 -0.06236291 0.17060302 Zr 10.99569820 0.00789596 6.60625651 -0.49046685 0.46219122 -0.06482334 Zr 8.76092727 2.18660477 6.60507430 0.19546631 -0.09955685 -0.02975632 Zr 0.02685084 4.37705999 4.36269121 -0.71126472 -0.02228049 -0.06835540 Zr 2.15832727 6.58230496 4.33189050 0.37268014 -0.26302793 0.07386667 Zr 2.17363999 4.33099786 6.57347401 0.24195826 0.31912883 -0.03851933 Zr 0.04132627 6.54517734 6.60815927 -0.88504282 0.18418203 -0.27148106 Zr 4.42355912 4.34875385 4.39325536 -0.44621889 0.19756454 -0.45501661 Zr 6.60539221 6.54809441 4.35977856 -0.35733234 0.31695376 0.26648719 Zr 6.56066720 4.36293133 6.57125828 0.30144555 0.17424243 0.16388486 Zr 4.38641581 6.56490816 6.51037028 -0.18554240 0.15085025 0.11056755 Zr 8.77104387 4.38774962 4.42049110 0.24379773 -0.31264684 -0.24518977 Zr 10.91103915 6.57103656 4.42445710 0.87266431 0.06130679 -0.28200741 Zr 10.98536422 4.32204519 6.64526924 0.74503370 0.16788491 -0.37614810 Zr 8.78577173 6.53753827 6.56580126 -0.07475362 0.40930454 0.15612498 Zr 0.00609154 8.75806787 4.35299986 -0.60657422 0.15606682 0.06420255 Zr 2.16128319 10.96747733 4.41684533 -0.07095879 0.56091378 -0.34090436 Zr 2.18409491 8.73040683 6.54810261 -0.09853852 0.44418669 0.24999326 Zr 0.03656947 10.93971898 6.55451271 0.32641511 -0.34936547 0.19885030 Zr 4.34128709 8.81940649 4.38347648 0.26081144 -0.46061823 -0.16521695 Zr 6.52798331 10.96625301 4.40316758 0.42032052 0.53527365 -0.28478403 Zr 6.61134432 8.76389831 6.56746154 -0.06094040 0.03078073 -0.08323441 Zr 4.39931858 10.93732670 6.56962314 -0.33487630 0.66974291 0.36321191 Zr 8.74720372 8.75113235 4.33806100 0.42254707 0.62515811 0.37157695 Zr 10.97995297 10.96837690 4.34269205 -0.68848108 -0.66494681 -0.09942289 Zr 10.98774647 8.80529365 6.59930806 0.35682025 0.04127718 -0.24923668 Zr 8.80687862 10.97440303 6.59438372 0.17958940 0.39176118 -0.23719898 Zr 0.00060840 0.02340897 8.77019889 0.72374625 0.61717195 0.14305294 Zr 2.21959641 2.16608642 8.76422794 -0.48698970 -0.06191531 0.33561827 Zr 2.22629931 0.01319368 10.94227667 -0.25091068 0.50665035 -0.62013032 Zr 0.01800995 2.18475379 10.96161327 0.76488467 -0.06893989 -0.75068256 Zr 4.39521310 0.00355968 8.72459951 0.02847312 -0.63011505 0.39346551 Zr 6.55904567 2.22801097 8.76679167 0.29625830 -0.45345512 0.25199858 Zr 6.54484024 0.01137616 10.99085825 0.13627568 0.58433453 -0.66656793 Zr 4.34695457 2.17084201 10.91780260 0.07156065 -0.09003789 0.68239362 Zr 8.78660963 0.03853334 8.76423591 0.05585964 -0.57753989 0.43728553 Zr 10.96908949 2.16681787 8.73917667 0.52333241 -0.25105725 0.74590994 Zr 10.99526078 0.04285937 10.96562586 -1.07545421 1.03518239 -1.08596008 Zr 8.78363290 2.16827696 10.98583816 0.23019599 -0.12286944 0.17390477 Zr 0.02128853 4.39054436 8.76476984 -0.62184989 -0.37843396 0.43290403 Zr 2.16406760 6.55962309 8.73590637 0.35706019 0.09951215 0.45204713 Zr 2.19817114 4.40299007 10.97322532 -0.18058861 -0.16349646 0.36052950 Zr 0.02161897 6.58714751 10.93518833 0.31167208 0.08548099 -0.37079386 Zr 4.39404882 4.41433656 8.72893918 -0.30289021 -0.05402444 0.26450546 Zr 6.53981317 6.62975360 8.72955976 0.25121753 -0.29393449 0.25338582 Zr 6.54148007 4.34407492 10.95356690 0.37883447 0.11822280 0.43018421 Zr 4.41589575 6.57201494 10.98886864 -0.25595602 0.16655575 0.37417838 Zr 8.82408424 4.41807415 8.73007298 -0.47333112 -0.32480750 0.74085474 Zr 10.92472434 6.60279839 8.80565412 0.89477342 0.00136304 0.05173881 Zr 10.94436180 4.39562173 10.96349654 -0.53092804 -0.14295384 -0.51131511 Zr 8.72541107 6.62413495 10.93973093 0.10470744 -0.25017553 0.63793138 Zr 0.03438719 8.79272755 8.74680042 -0.58505580 0.28183891 0.33071324 Zr 2.18864279 10.99465388 8.83851417 -0.28306917 0.34925884 -0.15408454 Zr 2.16598234 8.76989052 10.94428287 -0.12117136 0.09183255 0.56280251 Zr 0.01115545 10.91913065 10.99034552 0.98154428 -0.97080692 -1.00254082 Zr 4.33905710 8.76108127 8.75095544 0.09211976 0.20325271 0.18553707 Zr 6.60888763 10.97284533 8.72796887 -0.08066536 0.31799407 0.44290817 Zr 6.55838104 8.80477804 10.96887506 0.07574901 0.24600934 0.30315721 Zr 4.34842362 10.92693429 10.96250639 0.06839056 -0.35697586 -0.43528264 Zr 8.79504060 8.74219178 8.75438399 0.03058430 0.56688760 0.21370786 Zr 10.99480647 10.93451784 8.72816648 -0.62702666 -0.56202272 0.30670222 Zr 10.93621235 8.75599907 10.96291398 -0.48112472 0.17085611 -0.56094227 Zr 8.80599184 10.91240443 10.92038036 0.05825843 -0.52961473 -0.63730417