108 Lattice="10.926745954127 0.0 0.0 0.0 10.926745954127 0.0 0.0 0.0 10.926745954127" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.51321771845664 stress="-3.7256310296170594 0.47296647552787663 0.7602168780123604 0.47296647552787663 -3.0643118894376897 -0.19743676160224233 0.7602168780123604 -0.19743676160224233 -3.2633294504801" pbc="F F F" Fe 0.01561985 -0.02259278 0.01336800 0.30204711 0.33496062 0.31554365 Fe 1.78141206 1.85487549 -0.03053849 0.04907596 -0.32554630 -0.19868347 Fe 1.83169578 0.01812424 1.82502083 -0.15979497 -0.29313607 -0.11046033 Fe -0.01681256 1.81105676 1.84973948 -0.22577888 -0.03916934 -0.25516305 Fe 3.65137176 0.00453318 0.06469436 -0.06364039 0.00771505 -0.11930217 Fe 5.43768626 1.84398248 0.00724584 0.05985026 -0.04566117 -0.24977068 Fe 5.49548978 0.00900380 1.79449485 -0.04780393 -0.17908180 0.14127076 Fe 3.62235681 1.80482443 1.80080807 0.09304316 0.17499104 0.21770608 Fe 7.27764817 -0.00596775 -0.00979299 0.06050489 0.20056342 0.10118914 Fe 9.07066730 1.85656557 -0.00106177 -0.12416781 -0.06603006 0.13938269 Fe 9.08438779 0.01184826 1.79308542 -0.13415951 0.17279971 -0.01070470 Fe 7.25870319 1.85341600 1.83329403 0.17306907 -0.06929704 -0.13114349 Fe 0.01735435 3.61553450 0.01646644 -0.13467019 0.04631421 0.02428560 Fe 1.79770249 5.42318889 -0.01600527 0.06757079 0.19284836 -0.22747090 Fe 1.83058637 3.62355917 1.78866584 -0.02547850 0.08439923 0.36605670 Fe 0.02538638 5.46551552 1.79390409 -0.16442774 0.05754653 0.15158413 Fe 3.61043716 3.67308141 0.00071738 0.18794167 -0.05833868 -0.19729503 Fe 5.47328082 5.49254209 -0.03469738 -0.03251309 -0.17526419 0.03855244 Fe 5.43471296 3.62090848 1.83565936 0.08727849 0.32362736 -0.03445949 Fe 3.61408654 5.46792476 1.84249548 0.19115335 -0.05181240 -0.07114503 Fe 7.26098147 3.65433646 -0.01119308 0.01303560 0.03476881 -0.09457909 Fe 9.10433785 5.43945658 0.01274926 -0.06813191 0.02649764 0.08489260 Fe 9.09778707 3.65398695 1.85018765 0.24206283 -0.03101168 -0.18002706 Fe 7.31598580 5.48614641 1.83614444 -0.41931099 -0.14684774 -0.06978166 Fe 0.03369134 7.27939577 -0.03492879 0.10456916 -0.00720341 0.08495225 Fe 1.84332022 9.09540519 -0.01365691 -0.01124986 -0.10406011 -0.00416270 Fe 1.85380002 7.28145203 1.79440566 -0.20519983 -0.01910632 0.03396002 Fe 0.02953395 9.06941554 1.75404358 0.06097898 -0.06615094 0.07767858 Fe 3.68584746 7.26978190 0.01612434 -0.19841607 -0.01798895 -0.26361126 Fe 5.42718712 9.09045312 -0.00759813 0.14324005 -0.04917877 0.08636999 Fe 5.45665337 7.30228620 1.83405290 0.07779241 -0.10800474 0.09276510 Fe 3.61996974 9.13138970 1.78861104 0.06138615 0.19679367 0.09392240 Fe 7.28009962 7.25174888 0.01961443 0.13199478 0.28172305 -0.23808491 Fe 9.10358158 9.10121594 0.03173613 -0.34364945 -0.30911338 0.31284283 Fe 9.08685961 7.29571981 1.83550103 0.28178541 0.24185701 -0.18381098 Fe 7.25324665 9.12531326 1.83972444 0.10993268 0.13506787 -0.12362816 Fe 0.01682752 0.03789009 3.63024626 0.03169740 -0.05586979 0.09642029 Fe 1.81345278 1.81463397 3.61312719 0.19054561 0.18358929 0.20716101 Fe 1.83295827 0.01641752 5.49685717 -0.06050780 -0.18809574 -0.07446417 Fe -0.00406577 1.82461874 5.47355564 -0.17787171 -0.07786300 -0.07175021 Fe 3.66126235 0.01194344 3.67553380 0.00262013 -0.10306982 -0.10388222 Fe 5.48826727 1.85497076 3.63805037 -0.13935584 -0.05503356 0.16664087 Fe 5.46683529 -0.02418598 5.47820272 0.03073293 -0.09742518 -0.07157536 Fe 3.64314431 1.81062039 5.49490845 0.10088533 0.13050326 -0.15319573 Fe 7.29193672 0.02332913 3.62760585 0.05169722 -0.17075084 0.09008962 Fe 9.11150291 1.84710169 3.63432203 0.14306268 -0.16654852 0.08644118 Fe 9.11185153 -0.02242700 5.49549559 -0.17200663 0.17352360 -0.06329005 Fe 7.28661094 1.81747758 5.48952698 0.04321590 0.08381248 -0.12609316 Fe -0.00945412 3.64453844 3.63774679 -0.01778677 0.06786355 0.01393666 Fe 1.85006748 5.48856816 3.67471490 -0.18537249 -0.14126423 -0.09767624 Fe 1.85461707 3.61396459 5.46967639 -0.06701865 0.20006118 -0.19697910 Fe -0.00065669 5.43806310 5.49078428 -0.06302825 0.10866305 -0.08565467 Fe 3.66535888 3.67654602 3.64140055 -0.18988291 -0.22494096 0.05065059 Fe 5.43745039 5.49214260 3.66686167 0.17250346 -0.13440577 -0.24901073 Fe 5.44668528 3.66113834 5.46207605 0.12734842 -0.07567847 0.05401938 Fe 3.64640131 5.49855881 5.47024922 -0.10035289 -0.17255326 0.03431528 Fe 7.31874313 3.67895705 3.64259878 -0.30681586 -0.03986490 0.14391500 Fe 9.08465525 5.51547234 3.61305643 0.41159113 -0.17056800 0.21956865 Fe 9.12512153 3.66441486 5.45607948 0.06608563 -0.00914135 0.05520976 Fe 7.29047357 5.49707197 5.47223457 -0.13262701 -0.30711955 -0.00627730 Fe -0.01479484 7.31827182 3.66274643 -0.13237824 -0.19005320 -0.16994402 Fe 1.80671926 9.09960504 3.63090562 0.04064453 0.24323407 -0.09803277 Fe 1.81698347 7.30913425 5.45464641 0.09382931 -0.16618675 0.04119326 Fe 0.04514984 9.08731730 5.45279774 -0.09688859 0.09826668 0.07468606 Fe 3.62725754 7.30547845 3.61380170 0.04729890 -0.02204334 0.07797557 Fe 5.43842383 9.12820187 3.66006682 0.16490646 0.09805339 -0.10704360 Fe 5.43814118 7.26440588 5.43127486 0.14226734 0.14927436 0.23382174 Fe 3.66738756 9.13309940 5.42983687 -0.13853994 0.11641422 0.12306569 Fe 7.30523298 7.26607780 3.67745943 -0.25480462 0.30404821 -0.08951044 Fe 9.08034527 9.13807368 3.63690575 -0.14811694 -0.15287282 0.04446196 Fe 9.10961585 7.28806785 5.48492434 0.27141917 0.15675598 -0.06403923 Fe 7.27377132 9.12616401 5.51915831 0.06954420 0.09279309 -0.12584845 Fe 0.01155301 -0.03265315 7.28087604 0.14088921 0.18950311 0.07709507 Fe 1.80073901 1.85721186 7.27868960 0.07235453 -0.28359450 0.11272383 Fe 1.84898414 -0.00598887 9.08807610 -0.16434725 0.16816273 -0.10327888 Fe -0.02255016 1.83691821 9.07656076 0.13438726 -0.13991368 -0.11112588 Fe 3.64690728 0.00219072 7.31760022 -0.04850754 -0.20647521 -0.12594523 Fe 5.48772695 1.78977214 7.27414588 -0.17510954 0.32697973 -0.08990540 Fe 5.45817244 0.04836302 9.07679963 0.07440961 -0.12461768 0.13119666 Fe 3.65636724 1.80589645 9.11333300 -0.09384112 0.16123870 0.13563896 Fe 7.27448667 -0.02396439 7.30230392 0.21898898 -0.19176935 0.03421054 Fe 9.13033797 1.81082407 7.27515248 0.12029030 -0.05392297 0.15219780 Fe 9.08457551 -0.01094336 9.09939457 -0.31116576 0.34113596 -0.30819157 Fe 7.25689935 1.85161016 9.10162385 0.31494724 -0.20800394 0.26190929 Fe -0.01769911 3.62480435 7.25980919 -0.19065669 0.13405578 0.10446828 Fe 1.81922497 5.49048945 7.30587027 0.00513509 -0.09694158 -0.10198779 Fe 1.80832520 3.62150684 9.08150899 0.04204747 0.10165912 0.26501229 Fe 0.01519364 5.43858236 9.11146345 0.11611203 0.07193240 -0.13340124 Fe 3.61196081 3.66425323 7.27224108 0.23050563 -0.05929138 0.07026504 Fe 5.48122884 5.42316469 7.30957384 -0.10768610 0.15403514 -0.23375808 Fe 5.47444437 3.63822795 9.12545252 -0.13219679 0.00932940 0.12958036 Fe 3.66914387 5.48578667 9.11873355 -0.14570164 -0.09982179 0.11201156 Fe 7.28379601 3.63398008 7.31562210 0.03578612 0.00489986 -0.28793926 Fe 9.09356143 5.48005368 7.29805765 0.36030952 -0.11878568 -0.06759964 Fe 9.10889592 3.67190060 9.09920065 -0.06656730 -0.10702303 -0.07995432 Fe 7.30829277 5.48131862 9.07916686 -0.11679033 -0.11072934 0.37984617 Fe 0.03018038 7.32313528 7.31580943 -0.29427661 -0.10323089 -0.03217595 Fe 1.82774832 9.13329784 7.26339137 0.04560197 0.26240414 0.11589963 Fe 1.85017806 7.33830863 9.08356060 -0.07798658 -0.12311176 0.31411028 Fe 0.02798299 9.08105299 9.10628423 0.21321665 -0.12835581 -0.19211812 Fe 3.63084636 7.28016671 7.24838874 0.14487606 0.08890798 0.09177852 Fe 5.44915403 9.12304976 7.27713917 0.06124095 0.02638490 0.11674858 Fe 5.46455812 7.25895375 9.08085232 0.09291458 0.22286480 0.13494963 Fe 3.65729222 9.09886700 9.11052995 0.04321249 -0.07317917 -0.14730911 Fe 7.31434338 7.25456959 7.26695719 -0.26040410 0.37455816 0.11399581 Fe 9.13069577 9.11924498 7.30661642 -0.19121567 -0.18088739 0.05483288 Fe 9.06036144 7.27936560 9.13127900 0.02644870 0.13349547 -0.08559529 Fe 7.31864239 9.12106458 9.13977694 -0.07568162 -0.19787000 -0.26716134