64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-84.8921086467 stress="0.008610362638051776 -0.02851766506054899 0.008888533052326628 -0.02851766506054899 0.020697600395732704 -0.0011870096121341647 0.008888533052326628 -0.0011870096121341647 0.03232092975814259" pbc="F F F" Fe -0.07589147 0.30607962 0.35603343 -1.40548747 -1.09862902 -0.71111401 Fe 1.50949199 1.52613770 1.17709151 -5.79294243 -3.33295508 10.61749630 Fe 2.75571349 2.38761442 0.14954043 4.56069275 -3.71246934 -12.99854311 Fe 3.30029493 3.72986859 1.25641920 2.86431124 9.94710366 5.72870354 C 2.74383091 0.46070628 2.37445810 -0.26108049 2.37371587 0.53790368 Fe 3.68934902 1.30161313 4.16557061 -4.40189915 3.08050780 -1.27797159 C -0.00860493 2.48338198 2.94089739 3.27857990 0.04181591 -0.86782335 Fe 1.05504928 3.49070894 4.03486626 14.13039833 -15.75388708 -13.69602860 Fe 4.42421691 0.05349892 -0.40221330 -0.53806405 0.69749966 0.24067659 C 6.21179051 1.71435681 0.94533286 -11.57387252 -9.49294252 7.73570082 Fe 7.10761187 2.57897506 0.41444697 6.23248439 8.87218037 -6.72413046 Fe 8.75592154 3.54501545 1.04814022 4.30355879 1.54349579 0.82352584 C 7.73360583 0.08254127 2.44645137 2.03603248 1.49014515 2.09325621 Fe 8.94113505 0.91114587 3.63848066 -2.32677070 -0.98400813 -1.70964919 Fe 5.19255990 2.91221134 2.48578387 1.52428074 -1.61984365 -2.73503255 Fe 6.53227015 4.08127865 3.77153045 -7.90026879 -1.98699777 6.55877828 C -0.02346306 4.35365707 0.34568165 1.43474392 2.44226731 0.07364201 Fe 1.09136491 6.27646854 0.40718784 1.24730654 -0.96847539 -0.45592939 C 2.94758804 7.27778404 0.13423686 7.96331591 13.80049787 9.86380630 C 3.87245546 8.60593507 0.95925024 -11.52955843 -15.21718342 -8.45579080 C 2.56189841 4.82669840 2.46073882 -0.98604676 -2.47825904 0.68455224 C 3.42605562 5.31765694 4.45360877 2.43732767 0.35165371 0.45534749 C -0.29729997 7.95093367 3.02666138 4.80476415 1.54043124 -0.01662204 Fe 2.09650545 8.71959328 3.01744946 -3.46550265 -3.24071300 1.29563077 C 4.13509790 4.87052914 -0.26072321 -1.08614343 -1.51782647 1.95113193 C 6.79427347 6.30390881 1.02454942 1.59386664 0.07464846 0.73826033 Fe 7.64534720 7.70357008 0.44138345 -8.04203516 -13.93480988 -2.15374112 Fe 8.50058087 9.18113249 0.77564792 7.14381335 12.34440709 2.82124086 Fe 7.58901493 4.82807814 2.51879370 6.54179294 7.50077652 -6.51590634 C 8.86959690 6.33671719 4.09419935 -1.98056179 -2.33646133 -2.40845930 C 5.11160229 7.29412993 2.69176816 0.05439838 -0.97911234 1.20754609 C 5.63546668 8.77181746 4.15620151 10.02875861 -9.69750430 4.75428491 C 0.39346848 0.10983358 5.62531652 -0.28198355 3.02008860 2.26051486 C 0.89634390 1.07540270 6.74568208 -9.71668650 6.29213008 5.56196871 C 2.33895030 2.30111848 5.05849536 -0.08324053 0.33779636 -2.41442516 C 4.28796960 3.76068003 7.14484392 -4.34646545 8.70005517 -0.77423539 C 2.06120621 0.24920388 6.81671954 1.57116332 0.47769938 1.36527978 C 3.42464710 1.24712188 8.62428165 2.09641670 1.87057480 -1.19850562 C -0.10937548 2.25124925 7.84522213 8.42750673 -9.78991806 -9.18776335 C 1.72596359 4.28925320 8.61010909 1.48913852 1.29535184 -1.23152529 Fe 4.97129462 -0.33880124 4.18277230 1.84597510 -2.35126601 -0.09635978 C 6.86319010 2.08282957 6.28628528 -0.54440961 -0.16373532 1.26932180 Fe 7.67296034 2.85933324 4.91217446 3.82913383 -2.62175724 4.39533961 C 9.04904126 3.46126545 6.58114781 -1.46963964 -0.64479342 -1.82132464 Fe 7.69022902 0.02392839 7.77907522 -9.62141705 -3.44157147 -5.22788890 Fe 9.16251581 0.79587726 8.46968342 9.07903283 4.77500380 4.25220724 Fe 5.14107531 2.71430809 7.66970946 -2.16760737 -16.18225477 -2.50144920 Fe 6.19278919 3.91352489 8.54408390 -8.08692501 0.10886197 11.26062293 Fe 0.16946619 4.56037196 4.91245106 -11.56980034 14.93926361 12.13483754 Fe 1.38870796 6.75272168 6.26112469 0.85692699 -0.75055261 -1.20550849 C 2.52597243 7.21626926 5.11413012 10.33362035 11.22059341 5.63517400 C 3.77996461 8.33963325 5.95430967 -11.07438111 -9.93489168 -7.48036264 Fe 2.88703745 5.27527694 7.65124986 -21.00997331 -17.63367508 -14.37140219 Fe 4.00306836 6.06443900 8.42670380 23.13573991 15.54182575 12.88603808 Fe -0.21490548 7.46753981 7.64874351 1.04458257 1.51000037 1.70826981 C 1.62324320 8.62383998 8.60572253 -1.88437688 -1.23050033 -1.03922692 Fe 5.20476688 5.58887286 4.79778217 -1.96754320 3.05450305 -1.06298841 Fe 6.12478899 6.87442542 6.67046722 1.47533357 1.83866092 -0.81436961 C 6.82838156 7.62419751 4.71725825 -12.10177930 7.26813014 -2.50946944 Fe 8.65159660 8.74994456 6.81805156 -1.50500351 -1.86531259 0.61138901 C 7.23356637 4.54426088 7.95876449 12.42885816 8.21314800 -7.02016750 Fe 8.70690285 6.67746559 8.67682680 -0.85240198 0.20219344 -1.17849515 C 4.77719268 7.50017586 7.55644961 -0.21998710 -1.80472075 0.33976195 C 6.25727020 9.04243225 9.10550124 0.00000000 0.00000000 0.00000000