108 Lattice="13.120480210097043 0.0 0.0 0.0 13.120480210097043 0.0 0.0 0.0 13.120480210097043" Properties=species:S:1:pos:R:3:forces:R:3 energy=-608.6085812177115 stress="-0.003535778842521691 8.743426161656507e-06 -0.0002627553600888269 8.743426161656507e-06 -0.0034084126843870024 -0.0001300208109839759 -0.0002627553600888269 -0.0001300208109839759 -0.0035739474838488764" free_energy=-608.6085812177115 pbc="F F F" Zr 0.03316075 0.02961303 0.01144054 0.55582380 0.65367045 0.55655243 Zr 2.21689298 2.21510181 0.00070407 -0.25781625 -0.21467508 -0.39796452 Zr 2.12287125 0.02353812 2.16027255 0.18400934 -0.44710417 0.00949899 Zr 0.03676102 2.18949316 2.22107736 -0.53073155 -0.10491982 -0.23051906 Zr 4.32674134 0.00863576 0.00218808 0.03611401 0.23863087 0.23328221 Zr 6.51918686 2.22191756 0.03324958 -0.06082175 -0.14493648 -0.61715213 Zr 6.51862798 0.02313178 2.15730564 -0.02911101 -0.49965014 0.02803328 Zr 4.36637058 2.18261140 2.19395714 0.09612041 -0.16953582 -0.13392293 Zr 8.67626520 0.03287499 0.02729132 0.04377701 0.12347614 0.08500924 Zr 10.93232046 2.14656899 0.01459469 -0.34026044 0.18924323 0.28590395 Zr 10.92981291 0.02353161 2.16514112 -0.34818705 0.32200767 0.17541735 Zr 8.71143664 2.13499001 2.10916402 0.39347957 0.13778108 0.33792855 Zr 0.00611076 4.37341167 0.03951732 0.20011025 -0.00358477 0.21251669 Zr 2.18943274 6.52973519 0.02327364 -0.09176327 0.06639467 -0.39880263 Zr 2.18547708 4.33908931 2.16944302 -0.13551300 0.26717475 0.02567356 Zr 0.02549557 6.58884093 2.19570517 -0.51262551 -0.19650200 -0.11071678 Zr 4.36255462 4.33977644 0.01868970 0.14180019 0.28787842 -0.58926887 Zr 6.57232038 6.59059598 0.03066458 -0.10654305 -0.20066860 -0.52883573 Zr 6.56235972 4.37373149 2.17768126 -0.09348585 0.09084404 -0.02496993 Zr 4.36531820 6.52324182 2.19471952 0.05399616 0.00679686 -0.08645867 Zr 8.74091499 4.36153717 0.04008789 0.04163106 0.10416708 -0.55196527 Zr 10.94609333 6.52535060 0.01767244 -0.26244780 0.06234836 0.15346910 Zr 10.89721544 4.40229322 2.15831581 0.44492973 -0.30310978 0.05383794 Zr 8.74963741 6.54327256 2.21695872 0.13069970 0.09551512 -0.27916444 Zr 0.02089898 8.78993280 0.01013757 0.38025891 -0.11208199 0.35419378 Zr 2.18939842 10.97668688 0.02719008 0.12874632 -0.48860540 0.45881690 Zr 2.12662552 8.71390847 2.22668550 0.22317120 0.34973426 -0.34071230 Zr 0.04182832 10.93114306 2.24676639 0.19912753 -0.26323481 -0.09021773 Zr 4.33974796 8.71842927 0.02151109 -0.02388851 0.18165516 -0.29334438 Zr 6.54345898 10.90985492 0.00428103 0.02489483 -0.28732913 0.25325589 Zr 6.55376895 8.74551327 2.16030535 -0.07042448 0.18134775 -0.15276924 Zr 4.39505411 10.97099079 2.20083142 -0.09163195 0.22503379 -0.14567052 Zr 8.77322582 8.71398353 0.02479494 0.14384968 0.22660379 -0.28848910 Zr 10.97069688 10.93781223 0.03659933 -0.75700871 -0.71365882 0.70042623 Zr 10.95730082 8.72140030 2.16048383 0.17048723 0.20502552 0.03279065 Zr 8.71724359 10.90466477 2.20704970 0.21631056 0.26496701 -0.21788197 Zr 0.03167641 0.00240227 4.42586259 0.21970592 0.23276941 0.02062683 Zr 2.18882099 2.14147043 4.33488740 -0.09741428 0.00662437 0.42542029 Zr 2.22648398 0.02577923 6.60102831 -0.15549487 -0.46078174 -0.22713903 Zr 0.01361779 2.20523313 6.58631507 -0.30395573 -0.10390578 -0.17538867 Zr 4.43376544 0.03581644 4.33638907 -0.15927140 -0.59086411 0.22277115 Zr 6.59714173 2.18944937 4.40742596 -0.10488501 -0.19002984 -0.09098770 Zr 6.60542666 0.02656148 6.59603589 -0.18126331 -0.43326278 -0.18841481 Zr 4.36790412 2.17076555 6.55934818 0.25472717 -0.10584095 -0.06799594 Zr 8.74278881 0.00409515 4.33341596 0.08931090 -0.34681512 0.11453084 Zr 10.90857990 2.22150731 4.39515302 0.39432134 -0.16162526 -0.31947793 Zr 10.93030023 0.03981501 6.54493013 -0.28459246 0.18993441 -0.02427127 Zr 8.78594406 2.22968872 6.53358955 -0.12493706 -0.30155124 0.08912091 Zr 0.03419994 4.38341942 4.35096647 -0.52828631 -0.07125662 0.17782091 Zr 2.15016666 6.52609984 4.43769568 0.18758330 0.05241942 -0.26294562 Zr 2.21310658 4.39157791 6.59419027 -0.31477683 -0.21555719 -0.36005396 Zr 0.01265056 6.59126952 6.52096828 -0.64266697 -0.15901348 0.20612431 Zr 4.40362283 4.37823091 4.40019924 -0.17115844 0.04572490 -0.11280832 Zr 6.60285736 6.56716221 4.41549998 -0.31069272 -0.06816467 -0.18701971 Zr 6.52141966 4.40913948 6.52267168 0.20201001 -0.14308396 0.31716799 Zr 4.35969208 6.60075101 6.58947395 0.16239025 0.04358571 -0.25515187 Zr 8.74042744 4.40020056 4.40019904 0.24502743 -0.08491389 -0.14634857 Zr 10.94343186 6.52471164 4.31567025 0.48449059 0.26073508 0.29868676 Zr 10.94795026 4.38519659 6.51899829 0.53009203 0.12394838 0.07509644 Zr 8.78727066 6.59461923 6.58660258 0.21838044 -0.24252655 -0.14991300 Zr 0.00137892 8.73410981 4.38967233 -0.42754673 0.19716889 0.13401282 Zr 2.17726879 10.93513609 4.34884329 0.11271993 0.27099497 0.26849785 Zr 2.21326065 8.75018309 6.58061537 -0.20862982 0.41024847 -0.18793060 Zr 0.02210835 10.92721591 6.59099846 0.32810762 -0.28266669 -0.02845336 Zr 4.41630470 8.74303927 4.31510842 -0.25169156 0.13065276 0.24471312 Zr 6.55393436 10.90477404 4.40205852 0.00322276 0.63952670 -0.10214980 Zr 6.60271457 8.72843199 6.54414856 -0.32164222 0.34477517 0.16690142 Zr 4.41117872 10.93577195 6.52547251 -0.10357595 0.37969406 0.07749633 Zr 8.71601551 8.76227149 4.39300466 0.61923510 0.18814816 -0.06747860 Zr 10.91675165 10.94292202 4.33598222 -0.31974184 -0.34308723 0.04927041 Zr 10.93682967 8.81265511 6.56850793 0.35949548 -0.20866486 -0.31089226 Zr 8.71502646 10.97270714 6.57996051 0.19392283 0.35293330 -0.10119954 Zr 0.02530751 0.00361309 8.78542691 0.32424974 0.35759400 -0.19293557 Zr 2.21615852 2.18806802 8.74026202 -0.30983791 -0.14936996 0.33039702 Zr 2.17331508 0.01091102 10.93259007 0.16703736 0.37346705 -0.29729213 Zr 0.01428385 2.19561864 10.90797997 0.28238730 0.05760094 -0.31165633 Zr 4.36384828 0.03565766 8.76149820 0.16658367 -0.47331863 0.13289094 Zr 6.56029909 2.17514873 8.82500202 -0.10931761 -0.00869237 -0.23373646 Zr 6.58597139 0.02106433 10.92864735 -0.10231249 0.17391399 -0.14036977 Zr 4.36652499 2.23009925 10.94066863 0.03587358 -0.11625190 0.39096985 Zr 8.71566368 0.03253211 8.72822171 0.34122015 -0.32212025 0.20409275 Zr 10.89052555 2.19431665 8.71703040 0.39586820 -0.09469104 0.29308060 Zr 10.97349430 0.00888004 10.89867242 -0.74564858 0.71361142 -0.70590593 Zr 8.75884314 2.17840573 10.96943427 0.23873665 -0.17451274 0.24613371 Zr 0.02012737 4.36095337 8.70973952 -0.47316080 0.09879869 0.12095651 Zr 2.17362372 6.52422945 8.73133098 -0.15473999 0.11054572 0.39910429 Zr 2.15619832 4.34690699 10.94992091 0.15649937 0.12835255 0.30372436 Zr 0.03539154 6.51747490 10.90752597 0.16047333 0.06430773 -0.22711833 Zr 4.38342547 4.41404362 8.72001883 0.11439192 -0.11955179 0.47145627 Zr 6.54266929 6.56932070 8.73572039 0.10588611 -0.10495869 0.29752063 Zr 6.61128512 4.34775386 10.92371391 -0.24331461 0.16811177 0.52517486 Zr 4.41008005 6.55294549 10.94693071 -0.07890765 -0.13603149 0.40242146 Zr 8.74305810 4.34940250 8.74654241 0.12528627 0.15972601 0.11992568 Zr 10.91636070 6.50123720 8.71515904 0.42231627 0.14670826 0.24605253 Zr 10.90410728 4.37743651 10.96379942 -0.19818378 -0.05725448 -0.34829556 Zr 8.74657837 6.50979674 10.96615308 0.12361846 0.18313995 0.21821535 Zr 0.00827958 8.73430929 8.74943338 -0.23475987 0.12797661 0.08082000 Zr 2.22678371 10.93709855 8.77795946 -0.20610073 0.29009072 -0.03176009 Zr 2.20372900 8.70510341 10.89645860 -0.13669116 0.15078587 0.38081750 Zr 0.02894860 10.92787014 10.91768648 0.68316868 -0.69356388 -0.66303334 Zr 4.36626611 8.78843285 8.77617777 0.23149653 0.11056021 0.08806088 Zr 6.57754650 10.93011869 8.74529261 -0.11911421 0.31002837 0.11152703 Zr 6.58727963 8.71199800 10.92098046 -0.10346136 0.11900752 0.36489609 Zr 4.37440268 10.94201680 10.95115599 0.08566655 -0.31644189 -0.23962946 Zr 8.77023189 8.73688605 8.73680345 0.14155857 0.20136540 0.40196179 Zr 10.93336422 10.89103124 8.71331665 -0.37483882 -0.16001146 0.06276555 Zr 10.93355460 8.79015748 10.91094924 -0.40745002 -0.28281490 -0.36851719 Zr 8.70963376 10.89693383 10.96261323 0.00592390 -0.32307872 -0.43273391