32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-18.30488558853668 stress="-0.0036729025285303393 0.00011487790851839815 -0.0003205115078630654 0.00011487790851839815 -0.00376269023110444 -0.00041753875154513517 -0.0003205115078630654 -0.00041753875154513517 -0.0038792636503790154" free_energy=-18.30488558853668 pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -2.13715951 -5.92436001 -6.08492564 Fe 22.70960170 22.31143450 20.83833517 -8.42200268 14.34927192 -5.73630976 Fe 22.28829595 20.83509776 22.66640352 3.22263233 -8.37255117 -1.28908488 Fe 20.77812781 22.51878885 22.32834452 -4.38302500 6.55806831 3.16123789 Fe 23.60009055 20.95894820 21.16634827 8.35786636 -17.38438539 -1.29651205 Fe 25.47087672 21.96425659 20.86550211 3.98021208 2.54078019 -6.36532843 Fe 25.28802619 21.22277084 22.68584377 3.52037966 -21.25370744 -18.31610969 Fe 24.18362810 22.69581920 22.34863482 -10.16797186 -10.65414386 4.51882252 Fe 21.26959405 24.17626233 20.85402479 -1.89293206 -11.74709197 -11.45731522 Fe 22.70996341 25.49207130 21.15300231 -2.70906169 9.84253535 -12.39629417 Fe 22.53848316 23.95774659 22.71726984 -6.04415190 -7.31385554 -8.37836864 Fe 20.95789336 25.38825682 22.04332575 -7.35264684 9.58244179 10.53804618 Fe 24.19178619 24.17895518 21.29140871 -9.04328943 -6.90367395 -31.23133170 Fe 25.61455359 25.53253581 21.14904689 4.81170530 7.61980439 -4.57094228 Fe 25.28091226 24.10609294 22.46603997 27.96459108 -10.69930157 5.61841191 Fe 23.80598025 25.32157598 22.51361598 3.59316133 23.77624746 7.84657834 Fe 20.85198705 20.97567541 24.06329927 -11.16693900 -6.49227572 -3.53057527 Fe 22.31835629 22.27846858 23.85588087 5.02462077 6.73849886 2.16135663 Fe 22.34126820 20.84140700 25.31668137 3.76339648 -9.20391162 4.71788146 Fe 20.91986395 22.24396547 25.59073906 -3.44632593 6.58662614 5.44598142 Fe 24.27219963 20.93381326 24.13132919 -10.31962608 -6.58278467 4.98961832 Fe 25.75978669 22.22592512 23.78504734 12.33716792 18.78929310 14.07921226 Fe 25.68365717 21.26124257 25.58343331 2.16066738 -0.54643849 4.93535403 Fe 23.54231040 22.43002885 25.64096356 3.65351938 3.73202040 3.45991979 Fe 21.23171545 24.18190327 24.02253701 -16.45257291 -5.43612682 -5.10773671 Fe 22.71219253 25.42485375 24.12990665 -3.88482721 19.01691271 -6.49418757 Fe 22.28220450 24.28278197 25.56210000 11.84896222 -24.49963232 12.60562929 Fe 21.13362859 25.32702941 25.57034430 -18.90626542 18.37058312 6.18156704 Fe 24.04852473 24.05473499 23.91561068 -2.07690421 -11.68372034 7.42272701 Fe 25.63661615 25.40480033 23.58062463 6.41046439 12.95349565 6.96488338 Fe 25.29869006 24.11041876 25.26735611 10.93223559 -6.29564891 6.49343869 Fe 23.83533445 25.24148635 25.58611608 6.82411949 10.53703038 11.11435584