108 Lattice="10.926749202585391 0.0 0.0 0.0 10.926749202585391 0.0 0.0 0.0 10.926749202585391" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.4376084209826 stress="-0.005462526126227687 7.496399061824933e-05 -5.5429845406123423e-05 7.496399061824933e-05 -0.005204322911063353 -0.0003570030118454031 -5.5429845406123423e-05 -0.0003570030118454031 -0.00521140559157795" pbc="F F F" Fe 0.02362087 0.01708110 0.02354564 0.30821807 0.30348535 0.32822922 Fe 1.82161446 1.83361995 0.03468425 -0.08138491 -0.11232232 -0.31816035 Fe 1.84831035 0.01235842 1.85697539 -0.18120493 -0.26308201 -0.20564499 Fe 0.01965364 1.85202027 1.84902756 -0.30834781 -0.23076773 -0.15815336 Fe 3.61955220 0.02752769 0.00363340 0.04996852 0.05534361 0.07797951 Fe 5.46016347 1.85705910 0.00238743 -0.02635887 -0.16785174 -0.30786675 Fe 5.47661613 0.02086159 1.82285509 -0.18244755 -0.23138487 -0.09929632 Fe 3.65546854 1.83554180 1.79583070 0.08283181 -0.04162454 0.16078640 Fe 7.28527837 0.03543063 0.02057026 0.03500444 0.11614946 0.06787168 Fe 9.11870506 1.83984638 0.00495780 -0.13542883 -0.11868572 0.05635098 Fe 9.10227522 0.01173551 1.79746132 -0.09519084 0.17042353 0.01605909 Fe 7.25291579 1.84286586 1.84438144 0.13294648 -0.07270001 -0.13099515 Fe 0.02368003 3.63470754 0.01209973 0.08651287 0.02799522 0.07946704 Fe 1.82426791 5.48800335 0.02264476 -0.12304369 -0.11435186 -0.28875321 Fe 1.85537096 3.61707675 1.84446307 -0.05671027 0.28447393 -0.07266429 Fe 0.01593087 5.42841526 1.84183095 -0.17354752 0.09807495 -0.03915981 Fe 3.64429566 3.69937237 0.02623165 -0.02047946 -0.11386540 -0.33434353 Fe 5.49643234 5.48950209 0.03401093 -0.11170048 -0.05997343 -0.24480476 Fe 5.45857185 3.62616365 1.79299805 -0.06110542 0.17800171 0.34949206 Fe 3.61459996 5.47483255 1.80475406 0.15290595 0.02163844 0.36991729 Fe 7.28401697 3.63520676 0.02506653 0.02940813 0.06792339 -0.35814191 Fe 9.13869242 5.43700463 0.00669692 -0.18637163 0.06943321 0.13715811 Fe 9.07124335 3.61217933 1.78575987 0.34907718 0.12717628 0.18569293 Fe 7.27764734 5.45863048 1.84112421 0.11465022 0.07965100 -0.05320529 Fe 0.01556794 7.27747575 0.00263010 0.01063678 0.05294974 0.09647793 Fe 1.85433830 9.07124208 0.02204134 -0.11383901 0.06380206 -0.04948329 Fe 1.78923037 7.29498009 1.79753073 0.07085262 -0.09960637 0.21918710 Fe 0.03440349 9.13487552 1.81340477 0.03641092 -0.11398169 -0.04552728 Fe 3.63503115 7.28648039 0.02093997 0.08316481 -0.10625491 -0.33360695 Fe 5.42739666 9.09698625 0.02005574 0.15065421 -0.03945963 -0.07659159 Fe 5.45931902 7.29344799 1.82865069 0.06065055 -0.16171186 0.14291261 Fe 3.67678310 9.07815077 1.79615357 -0.18485490 0.36579635 0.18771420 Fe 7.27651343 7.27763030 0.00896427 0.21598588 0.12346496 -0.18235885 Fe 9.07403706 9.12401308 0.02779762 -0.25908245 -0.29806394 0.26534462 Fe 9.13597662 7.28559802 1.81223009 0.07273784 0.05997360 -0.01068838 Fe 7.26650173 9.11428383 1.80642429 0.13686771 0.15441755 0.05099237 Fe 0.02405810 0.00831799 3.65672998 0.07904317 0.11764236 -0.04027062 Fe 1.85501677 1.84617686 3.61057238 -0.10248970 -0.10362555 0.21102498 Fe 1.79164543 0.02893475 5.49183836 0.20518859 -0.35568144 -0.18546375 Fe 0.03175886 1.80394265 5.49800805 -0.39661614 0.15443090 -0.28067548 Fe 3.61543728 0.02073272 3.66847112 0.11295232 -0.27538552 -0.05182188 Fe 5.45112099 1.80738393 3.65806919 0.00430515 0.26271444 -0.05918231 Fe 5.49787237 0.00758255 5.44081323 -0.08661408 -0.16724168 0.07737551 Fe 3.63667241 1.82486815 5.42903407 0.04167035 0.11620364 0.26913038 Fe 7.27513198 0.03349405 3.58728870 0.15314161 -0.31475179 0.19248876 Fe 9.07972465 1.84355212 3.66090742 0.32157052 -0.07193529 -0.13994923 Fe 9.08807590 0.04562501 5.49935208 -0.02102379 -0.08706097 -0.17250682 Fe 7.31195177 1.84480278 5.45051265 -0.29202862 -0.05953213 -0.01443287 Fe 0.02654812 3.63601568 3.64034412 -0.24787160 0.00373932 0.11817248 Fe 1.82623263 5.45316641 3.67814790 0.10397934 0.06041120 -0.25921346 Fe 1.81805782 3.62477658 5.45672719 0.16450494 0.05521483 0.10959039 Fe 0.03323699 5.47961372 5.45694823 -0.33812972 -0.16630573 0.03472743 Fe 3.64114946 3.64331030 3.65788396 0.16949927 0.08674206 -0.08007571 Fe 5.48941479 5.41670683 3.64796781 -0.27383435 0.21154886 -0.00754707 Fe 5.47283769 3.63402306 5.48283882 -0.09668100 0.13726631 -0.11347561 Fe 3.62586445 5.47296804 5.44376247 0.23440116 -0.02868408 0.02236937 Fe 7.28725363 3.65910662 3.62905166 -0.14025545 -0.12763435 0.08680373 Fe 9.10054109 5.43238188 3.67662458 0.22599446 0.12417196 -0.16761046 Fe 9.09212613 3.63650292 5.48669771 0.24753898 0.08923540 -0.01205780 Fe 7.30222726 5.46547378 5.45569511 -0.21134266 0.03477443 0.16608808 Fe 0.03402477 7.31593768 3.65377405 -0.35689887 -0.10988322 -0.13788998 Fe 1.81752307 9.08375338 3.64185646 0.09363037 0.35019645 -0.05507346 Fe 1.78693909 7.27230101 5.46718241 0.36317240 0.08881849 -0.03888923 Fe 0.03872895 9.12014333 5.45545307 -0.03018787 -0.03733082 0.06451012 Fe 3.61384074 7.30237975 3.61103438 0.13145481 -0.26281346 0.13293573 Fe 5.44832423 9.11857043 3.65608952 0.11167968 0.11582040 -0.05173260 Fe 5.46057958 7.30367811 5.46602409 -0.03077388 -0.20958619 -0.08770040 Fe 3.64955759 9.11424427 5.44335152 -0.08255029 0.09735395 0.06365899 Fe 7.26539364 7.26773555 3.63654255 0.14322418 0.12692709 0.04086344 Fe 9.13951193 9.13450707 3.61923670 -0.26808042 -0.26594679 0.00965277 Fe 9.13764285 7.27510273 5.48334367 0.05385514 0.03578655 -0.08197532 Fe 7.28686558 9.08981918 5.48002038 0.06685649 0.14235498 -0.10463225 Fe 0.00938710 0.01931736 7.25124421 -0.00077560 -0.01059041 0.28566384 Fe 1.81398518 1.81908465 7.26796152 0.19321473 0.15184552 0.26340270 Fe 1.81894461 0.03468295 9.12967630 -0.06009179 0.09351385 -0.15157817 Fe 0.02950101 1.85557711 9.09689287 0.09643476 -0.05777325 -0.07874669 Fe 3.62035411 0.03606096 7.28416516 0.07455768 -0.22097373 -0.02973050 Fe 5.46323473 1.84237708 7.26022382 -0.07369689 -0.14980507 0.01542179 Fe 5.44166846 0.02416832 9.07302907 0.13098850 0.01742508 -0.06928768 Fe 3.66402474 1.79545398 9.14142875 -0.16665318 0.10331185 0.10367734 Fe 7.27775446 0.01150582 7.26978423 0.03937034 -0.17496917 0.17997423 Fe 9.10953492 1.81944763 7.25563904 0.22109683 -0.00552440 0.36751320 Fe 9.07041915 0.00123480 9.08930118 -0.29646205 0.32662981 -0.30646110 Fe 7.27099696 1.85433740 9.11526480 0.14705880 -0.18431873 0.17476129 Fe 0.00543714 3.62505935 7.27406211 -0.16042612 0.16624256 0.05466274 Fe 1.86356726 5.47846217 7.25384172 -0.11830394 -0.14508815 0.12187113 Fe 1.84312717 3.69502328 9.09150046 -0.10192184 -0.18125090 0.17875794 Fe 0.00008342 5.45497778 9.10629338 0.13594171 0.02220215 -0.15347300 Fe 3.66154152 3.64170260 7.31544757 -0.08106076 -0.05151139 -0.30850617 Fe 5.45499783 5.49975007 7.30712815 0.10137687 -0.30966599 -0.24060927 Fe 5.43161735 3.62430601 9.12310852 0.20186546 0.07262127 0.16349513 Fe 3.66154559 5.43491113 9.11661040 -0.06184066 0.16761190 0.21767761 Fe 7.25480933 3.60854356 7.27740622 0.07354369 0.27201451 0.13415166 Fe 9.07234725 5.44151916 7.32768857 0.23804720 0.03357336 -0.12895959 Fe 9.12784847 3.64372077 9.11917653 -0.17646049 -0.07690540 -0.14238484 Fe 7.32083880 5.48847639 9.12572275 -0.19892989 -0.18339390 0.22460197 Fe 0.01027823 7.25577652 7.28288082 -0.26393258 0.16213230 0.17281369 Fe 1.83019216 9.07257885 7.25044532 -0.06560405 0.25465307 0.21003973 Fe 1.83459084 7.28079344 9.10616329 -0.08261573 0.00574067 0.18947827 Fe 0.03224483 9.07493563 9.11620891 0.29685909 -0.28800625 -0.32451195 Fe 3.65846516 7.25971148 7.28244398 -0.09346453 0.14217483 -0.10050741 Fe 5.43716957 9.12900949 7.29073358 0.03211056 0.15196053 -0.01315822 Fe 5.43258858 7.27647262 9.09961006 0.03575314 0.09648913 0.32483422 Fe 3.62498663 9.10575106 9.08297267 -0.03245004 -0.07703222 -0.06510335 Fe 7.24927381 7.27398450 7.30949936 0.15266793 0.05570113 -0.16271339 Fe 9.09175520 9.08194858 7.26613328 -0.10027310 -0.09274338 0.11633495 Fe 9.09333828 7.28260748 9.10646812 -0.03774031 0.11410702 -0.10333676 Fe 7.25780759 9.07280486 9.08973690 0.07114537 -0.04283911 -0.05946824