256 Lattice="22.053789967449944 0.0 0.0 0.0 22.053789967449944 0.0 0.0 0.0 22.053789967449944" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.6692008575787 stress="2.4671880830279265 0.13702059877717487 -0.2047242061273833 0.13702059877717487 1.966251143223647 0.2394107431733541 -0.2047242061273833 0.2394107431733541 2.169123051941413" pbc="F F F" Na 0.04972186 -0.04759920 0.05247001 0.05167894 0.04331171 0.03905099 Na 2.78172623 2.73232403 -0.02350197 -0.04818699 -0.00693487 0.02528233 Na 2.76955491 -0.02923414 2.75140830 -0.02903029 0.03731859 0.02085658 Na -0.00136114 2.72677106 2.75787920 0.01544514 -0.01445260 -0.03775207 Na 5.43937157 -0.05368157 0.04311562 0.03089198 0.05256905 0.04142834 Na 8.23049355 2.75029312 -0.01992032 0.00270634 -0.05027427 0.01404845 Na 8.27902794 -0.02689288 2.76609318 -0.03094264 0.00140093 -0.04831596 Na 5.53210296 2.81108653 2.80168464 -0.02000609 -0.09219932 -0.05137690 Na 11.07241533 -0.00591593 0.00428396 -0.02336354 0.02522457 0.03635292 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5.47838599 0.07296645 0.04151233 0.00654516 Na 2.77604261 2.78504540 5.55731558 -0.05285943 -0.08035302 -0.03889290 Na 2.77459881 0.04478435 8.28704192 -0.03180515 -0.00886769 -0.01419670 Na -0.02131877 2.73592755 8.22547004 0.00491093 0.00844772 0.02235346 Na 5.49644043 -0.01356846 5.49888778 0.02152330 0.02087968 0.01232121 Na 8.33680745 2.74056594 5.47872728 -0.05839201 -0.01216373 0.03177882 Na 8.31288692 -0.02480672 8.22993855 -0.03275359 0.01719750 0.00526669 Na 5.55508143 2.81004927 8.27181077 -0.01696411 -0.09942669 0.00696880 Na 11.02507638 0.00964499 5.48025546 0.02732711 -0.02876255 0.01892835 Na 13.77868250 2.70700869 5.54434966 -0.02028547 0.02322987 -0.05916586 Na 13.81569075 0.04929085 8.27634164 -0.02810822 -0.03619059 -0.01581179 Na 11.05793264 2.80631866 8.22924482 -0.01407204 -0.06702190 0.04271403 Na 16.57410281 0.00488883 5.50419989 0.04446264 -0.01887381 0.03400229 Na 19.31032333 2.79812193 5.46935292 -0.00181365 -0.06743015 0.04150649 Na 19.34015831 -0.02412074 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0.01471229 Na 19.26747639 19.35045270 10.98303922 -0.02977406 -0.04760967 0.02800317 Na 19.30513546 16.63411383 13.80423231 -0.03481169 -0.04285088 -0.03921634 Na 16.52007295 19.34415819 13.77436118 0.03403379 -0.00787981 0.01969918 Na 0.03285667 -0.03282076 16.54854390 0.05478066 0.06834831 0.01136316 Na 2.79677276 2.72965991 16.53066999 -0.07684438 0.01072806 0.02227266 Na 2.77596926 -0.03035291 19.34540845 -0.04682807 0.05665297 -0.04877195 Na -0.03593016 2.74954628 19.31867195 0.08599278 -0.01271628 -0.07552638 Na 5.47146356 0.02346964 16.57426741 0.02383047 -0.01718144 -0.04430034 Na 8.31264410 2.70438619 16.52168830 -0.05241470 0.01846178 0.03556797 Na 8.30083905 -0.01379868 19.26648237 -0.01207648 0.01597345 -0.01620249 Na 5.50485867 2.70764947 19.27016774 0.03473576 0.02063041 0.01487084 Na 10.97840962 -0.03141326 16.50770489 0.02653899 -0.01674607 0.03963579 Na 13.80072536 2.72071528 16.51329966 -0.03483774 0.02961591 0.06613040 Na 13.71699800 -0.04031522 19.24811838 0.00355838 0.03400182 -0.03827047 Na 10.99259297 2.74046443 19.27287514 0.04402480 0.00101931 -0.00850871 Na 16.50575385 0.02522978 16.49697023 0.05896386 -0.02639038 0.03395392 Na 19.28851036 2.71313361 16.52680330 -0.03048088 0.01186531 0.00920360 Na 19.24475957 0.05127825 19.31706775 -0.04047511 0.02563399 -0.04706449 Na 16.49934846 2.72061725 19.31017808 0.02361150 0.01205117 -0.01960307 Na -0.02270225 5.51451829 16.49975114 0.02932519 -0.02528182 0.06477970 Na 2.68884640 8.28707508 16.53127021 0.04921270 -0.01887887 0.00076175 Na 2.79929774 5.51350333 19.28664863 -0.06531791 -0.01731729 -0.01981789 Na 0.02700735 8.29301779 19.30187731 0.02064891 -0.03305821 -0.02892366 Na 5.55933873 5.52368679 16.52271590 -0.03180247 -0.02710503 0.03162590 Na 8.30962616 8.24920144 16.58811935 -0.01553181 0.05525336 -0.01798210 Na 8.28865794 5.51714307 19.27935719 -0.00768922 -0.02272328 0.00933086 Na 5.50100874 8.22132594 19.27711087 0.00733858 0.02500834 -0.00187040 Na 11.01820092 5.52927358 16.50871012 0.04080123 -0.02305553 0.04833312 Na 13.81092878 8.24264239 16.51073232 -0.03307048 0.02465257 0.02287303 Na 13.79792466 5.55565071 19.29229863 -0.03469661 -0.03901971 -0.00091516 Na 11.02374520 8.32475083 19.31591265 0.01886556 -0.01692514 -0.01336340 Na 16.54376741 5.56494936 16.58176664 0.02765393 -0.06220556 -0.03435294 Na 19.26000032 8.32270070 16.57514327 -0.00295978 0.01321585 0.00423988 Na 19.27339128 5.54961002 19.28326291 -0.03574540 -0.03469828 -0.03270096 Na 16.51916564 8.28500444 19.34209820 0.02937669 0.04464726 -0.01474427 Na -0.01515372 11.01675490 16.55716370 -0.00095883 0.02979571 0.03006956 Na 2.79818943 13.76254085 16.57145860 -0.07409434 0.03164784 0.02564587 Na 2.78979429 10.97281625 19.26199300 -0.03945474 0.03673502 0.02700437 Na 0.01732888 13.83719821 19.33214830 0.06496843 -0.02056436 -0.04894189 Na 5.49949158 11.05642148 16.53823570 0.02153392 -0.04828116 0.00497480 Na 8.31363958 13.82389751 16.56651920 -0.02670670 -0.01134011 0.02966439 Na 8.22405633 11.02065160 19.24416668 0.01906917 0.02152551 0.01694608 Na 5.46508943 13.79792674 19.31502957 0.03563193 0.00861252 -0.00544162 Na 11.07836794 11.07247743 16.50277293 -0.03841894 -0.05505271 0.05410511 Na 13.73598311 13.81819967 16.54302247 0.04296283 0.01551870 0.01785504 Na 13.76735117 11.06083359 19.26079133 0.01393195 -0.01985003 0.01106759 Na 11.04246855 13.80978614 19.28640068 -0.02499971 -0.01289977 0.02187483 Na 16.49898512 11.07663656 16.49752625 0.05526161 -0.01509984 0.09746818 Na 19.24380949 13.80658868 16.51079219 0.00121623 -0.00751099 0.04586226 Na 19.33363525 11.05055269 19.34075469 -0.08629602 0.02250675 -0.06658980 Na 16.48530683 13.82576208 19.34523372 0.05112333 -0.02105496 -0.02583296 Na -0.02445247 16.52206043 16.53461580 0.03251731 0.02298108 0.04099279 Na 2.78879984 19.25104511 16.54139153 -0.07573393 0.01472225 0.03360651 Na 2.79659689 16.58629308 19.33747930 -0.05580622 0.00402282 -0.02625736 Na -0.04883049 19.25670052 19.27221401 0.06092229 -0.05665334 -0.05273425 Na 5.52151353 16.59250769 16.53893581 0.01214821 -0.02927423 0.05112577 Na 8.28609551 19.29627207 16.50060032 0.00001814 0.00981844 0.04243338 Na 8.25348647 16.57717590 19.31101923 0.01041099 -0.00980877 -0.01183402 Na 5.53991777 19.28957692 19.32136649 0.01537870 -0.00779283 -0.04112543 Na 11.06573842 16.55338483 16.52789277 -0.01799885 0.02741438 0.04747377 Na 13.73475691 19.34090735 16.55728919 0.04296007 -0.00903302 0.04532867 Na 13.73667982 16.57469156 19.34647032 0.02110079 0.04476148 -0.01468908 Na 10.95462410 19.31996077 19.29864697 0.00784296 -0.02939890 -0.03380875 Na 16.51855031 16.55008724 16.57058770 0.03466225 0.05428247 0.02086921 Na 19.33187432 19.33795735 16.49150962 -0.06985468 -0.06055197 0.06728513 Na 19.32651435 16.53076904 19.33930609 -0.06896007 0.03555937 -0.08268835 Na 16.56179635 19.34500316 19.31064739 0.01698326 -0.07107412 -0.06828275