108 Lattice="9.895641759831395 0.0 0.0 0.0 9.895641759831395 0.0 0.0 0.0 9.895641759831395" Properties=species:S:1:pos:R:3:forces:R:3 energy=-377.34483187411973 stress="-0.03838024564281499 -0.00015993438526323313 0.0015455369695895028 -0.00015993438526323313 -0.038629564400884234 0.003850543906212258 0.0015455369695895028 0.003850543906212258 -0.03505578422936619" pbc="F F F" Fe 0.00682545 0.00615533 0.00283210 0.13730703 -0.01804260 0.14766966 Fe 1.64261340 1.64173622 0.03196657 0.87629264 0.17578878 -0.65503156 Fe 1.64149394 0.00406223 1.67785337 0.76826480 -0.90474066 -0.78799523 Fe 0.01549929 1.63891530 1.64001656 -0.90249372 0.71544457 0.67913189 Fe 3.31795658 0.02739121 0.00368224 -0.13631995 -0.33159258 0.18161217 Fe 4.96650494 1.64256035 0.01991471 -1.25142612 0.80275943 -0.66508021 Fe 4.96424279 0.01610404 1.69762918 -0.40297215 -0.67607679 -0.90916701 Fe 3.28286821 1.63977700 1.68176791 0.83491152 1.05812352 -1.31946235 Fe 6.56570910 0.02749133 0.01131590 0.26713997 -0.69387222 -0.14952712 Fe 8.21879841 1.65908665 0.02581697 0.71506923 -0.16083806 -0.94067518 Fe 8.27032083 0.02811927 1.62522149 -0.48145166 -0.20154332 0.67498335 Fe 6.56636907 1.67936963 1.62441140 0.33076354 -0.58599025 2.53670358 Fe 0.03342490 3.27910624 0.02688716 -0.77820470 0.43167453 -0.67229004 Fe 1.67377908 4.92644043 0.01091569 -0.01850162 0.09975595 -0.86823482 Fe 1.63004769 3.32176937 1.65815922 1.10351860 -0.27319885 0.59281163 Fe 0.02358289 4.97287013 1.63617873 -1.52850895 -1.11779789 0.71707743 Fe 3.27761679 3.29854748 0.03077705 0.69549728 -0.61199020 -0.40810069 Fe 4.93101049 4.96242048 0.01317972 0.76962965 -0.26639972 -1.06664619 Fe 4.96283822 3.32196608 1.65312151 -0.62116929 -0.44015671 0.94954863 Fe 3.32621668 4.95963981 1.64751272 -1.31125221 -0.76075805 0.76720852 Fe 6.60707975 3.26897524 0.02128199 -0.68222511 1.54554911 -1.26298090 Fe 8.21801430 4.97607704 0.02656208 0.28808504 -0.34205333 -0.27614125 Fe 8.24340937 3.28421274 1.63267485 0.45570646 0.62596929 1.13025959 Fe 6.57386656 4.97913934 1.66069451 0.19619529 -0.44111753 0.45188673 Fe 0.03737416 6.54733219 0.01148754 -0.66741854 0.54339060 -0.97036017 Fe 1.65942812 8.21911478 0.04087251 0.33691150 0.40831871 -0.69554154 Fe 1.62261952 6.56656455 1.64370835 2.58895017 0.15425002 1.08333312 Fe 0.04945308 8.22846341 1.65550950 -0.77787546 0.64329536 0.07599667 Fe 3.27481878 6.57759654 0.00313936 0.19931894 0.35158243 -0.56836343 Fe 4.93259076 8.26102135 0.02586850 0.17044982 0.01378907 -0.48400890 Fe 4.91698359 6.59904530 1.63440363 1.20504717 0.16537275 0.40746414 Fe 3.31070092 8.24823333 1.65489259 -0.53306227 0.32982718 0.39795535 Fe 6.62767419 6.63969541 0.02028595 -1.51422658 -1.04408043 -0.63746942 Fe 8.23412758 8.22782664 0.02499694 0.53871929 0.56426459 -0.17496208 Fe 8.26489970 6.61391965 1.66373994 0.21691819 -0.55254746 1.04714015 Fe 6.60031041 8.24361865 1.65537301 -0.52694893 0.38665289 1.11782325 Fe 0.02977108 0.02650886 3.27158443 -0.87507726 -0.31799666 0.68744412 Fe 1.66754148 1.67101806 3.26623974 -0.69052366 0.15461033 1.54466597 Fe 1.64566509 0.01419369 4.91814377 0.93988570 -0.01756681 0.14925836 Fe 0.00766417 1.68205186 4.95179988 -0.33461552 -0.44002608 -0.32822724 Fe 3.30043746 0.02889106 3.27608080 -0.35696508 -1.42732976 1.10706432 Fe 4.91956351 1.63091054 3.32810920 1.09913070 1.74611712 -0.30444799 Fe 4.92092666 0.02533691 4.98046237 0.66576127 -0.93647814 -0.46165994 Fe 3.32085639 1.67380185 4.96247097 -0.73029614 -0.18307630 0.02271693 Fe 6.56643443 0.01156322 3.31640338 0.41928863 -0.36689736 -0.15040687 Fe 8.24003685 1.63151520 3.30440758 0.58260493 0.55703058 -0.73348676 Fe 8.23431550 0.00353932 4.91885781 0.25613094 -0.46311243 0.64376540 Fe 6.62307495 1.66756252 4.93941207 -1.65597699 -0.48441163 0.81534331 Fe 0.00967962 3.29487168 3.31069783 -0.76752721 0.08961186 -0.53462232 Fe 1.62307709 4.95264389 3.29271973 0.91238145 0.26250289 0.10411862 Fe 1.62385281 3.32802889 4.97447120 1.15332162 -0.98377522 -1.14137946 Fe 0.02096314 4.94110003 4.95601556 -1.03195950 1.15947637 -0.45007847 Fe 3.27150157 3.26905777 3.30322072 0.78462662 1.34233823 -0.01954805 Fe 4.91986225 4.97034716 3.31602472 0.21154560 -1.36245104 -0.36191080 Fe 4.98035568 3.32652040 4.97452207 -1.17620609 -0.90056221 -0.88042751 Fe 3.24522246 4.94645843 4.91504724 0.82230692 0.06192820 0.79787553 Fe 6.61349458 3.27579349 3.32704050 -0.78247859 0.62033359 -1.17307885 Fe 8.24908904 4.94545217 3.32212443 0.31101670 -0.23113697 -0.57965229 Fe 8.22320501 3.28270699 4.97850664 1.00479780 1.06885822 -0.43720483 Fe 6.56851019 4.97953530 4.90489141 0.68897258 -0.87108163 1.43003480 Fe 0.02101557 6.62743536 3.27946194 -0.77360749 -0.98317137 0.74164324 Fe 1.67541429 8.24235727 3.31146442 -0.03287941 0.26589014 -0.83223963 Fe 1.64367639 6.62639364 4.98024928 0.52496137 -1.47176371 -1.04726919 Fe 0.01814482 8.22732677 4.93338326 -0.63168435 0.76123922 0.23213966 Fe 3.32671877 6.58049812 3.27698947 -1.61464298 0.35214758 0.52454404 Fe 4.93635973 8.22030683 3.32082811 0.37888828 0.68965265 -0.25372188 Fe 4.93334888 6.58642831 4.97689286 -0.40368341 -0.16054170 -0.35001495 Fe 3.26407996 8.25352660 4.91806255 0.87704363 0.52999162 0.87256640 Fe 6.55894066 6.57453560 3.32073022 0.58770767 1.00447738 -1.03718498 Fe 8.27173309 8.25867095 3.31777868 -0.29651721 -0.18162587 0.01878981 Fe 8.24584889 6.58286116 4.95729141 0.57274225 0.53654757 -0.62790182 Fe 6.58655467 8.22807210 4.95832588 0.34346080 0.63685897 -0.35161735 Fe 0.04579050 0.02796007 6.57463758 -0.56692996 -0.46785690 -0.27959932 Fe 1.67503722 1.65640056 6.57976779 -0.14084354 0.37566763 -0.62423244 Fe 1.65835805 0.02752480 8.22138804 0.03679328 -0.79685371 0.50062347 Fe 0.03139496 1.65302706 8.21137446 -0.53887302 0.46174555 0.16820700 Fe 3.33146838 0.00276907 6.62933422 -0.51648172 -0.78798460 -0.72639721 Fe 4.97936573 1.62984077 6.61860873 -0.77163507 1.44134841 -1.21569314 Fe 4.97906602 0.02728974 8.27596808 -0.39355833 -0.68979464 0.45775465 Fe 3.28000223 1.62568521 8.22620497 0.55683231 1.29493590 0.92390927 Fe 6.59796731 0.02845970 6.61381654 0.06402682 -0.96957044 -1.05730558 Fe 8.25121847 1.66207444 6.57615220 0.29217478 0.00809024 0.19325434 Fe 8.26470554 0.02265685 8.20190950 -0.10913021 0.16633272 0.13130188 Fe 6.58114932 1.65624766 8.23193658 0.75228971 0.45006324 0.88677428 Fe 0.01308052 3.32353742 6.56891180 -1.02919972 -0.64008510 0.87082156 Fe 1.64014587 4.95285940 6.61208061 1.42974350 0.66857794 -0.35390810 Fe 1.61812152 3.31336053 8.25294081 0.98367152 -0.35342206 0.30806108 Fe 0.02281752 4.96238296 8.21551535 -0.97947291 0.00173626 0.76854115 Fe 3.26599268 3.28377392 6.58242066 1.00377495 0.86350275 0.45660734 Fe 4.95568594 4.91515235 6.59952908 -0.85650014 1.30824691 -0.27591043 Fe 4.94738660 3.27589618 8.22840726 -0.61183809 0.23634939 0.86001236 Fe 3.30213563 4.95228885 8.24946966 -0.63104930 -0.36432054 0.02352699 Fe 6.57928024 3.32915971 6.59850970 0.93252736 -0.45939399 -0.07513696 Fe 8.25136768 4.97774920 6.58084256 0.05806158 -0.71621806 0.45217006 Fe 8.22586978 3.26679762 8.26361367 0.08861791 0.46999623 -0.13589262 Fe 6.57390332 4.97081541 8.25481195 0.46140503 -0.13646190 0.21489522 Fe 0.02162617 6.60287025 6.60087578 -1.00434369 -0.31804891 -0.38649193 Fe 1.63240309 8.24498992 6.60999923 0.72319584 0.82958946 -0.33380453 Fe 1.62319456 6.62221910 8.27896928 0.94458235 -1.24963267 0.23167973 Fe 0.02087215 8.22632513 8.25500751 -0.45739551 0.34242391 0.06208900 Fe 3.30404245 6.61038963 6.56850688 -0.59518601 -1.16116309 0.24027378 Fe 4.95866957 8.22332928 6.59399528 -0.24734002 0.75279026 0.26700054 Fe 4.90721970 6.56714302 8.25052215 0.90560979 0.40092810 0.15940738 Fe 3.27747023 8.19292124 8.23944700 0.27901231 0.87339851 0.29840888 Fe 6.61424619 6.60184203 6.57500643 -1.01376800 -0.94709391 0.58157661 Fe 8.26155955 8.22529448 6.62329542 0.05021251 0.35671732 -0.66988187 Fe 8.25155729 6.61978885 8.26442879 0.12944499 -0.93872609 0.11368985 Fe 6.60650207 8.21655511 8.26597564 -0.77100476 0.04456617 -0.11878941