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=-4.570091151933928 stress="-0.004482096772725978 0.00047709549390377484 -0.0001781412032815556 0.00047709549390377484 -0.004756730765627917 8.980690420430129e-05 -0.0001781412032815556 8.980690420430129e-05 -0.004758690694746" free_energy=-4.570091151933928 pbc="F F F" Fe 20.81973574 21.18183154 21.04963065 -3.64145989 -4.20087457 -3.88482588 Fe 22.70070203 22.20342959 20.90085166 -21.50085852 27.23984394 -22.71493347 Fe 22.49793547 21.28187239 22.51001192 -21.50009404 -23.64064183 3.83011575 Fe 20.98453339 22.47595979 22.53513772 -10.23154832 2.90110227 3.75553484 Fe 23.71904386 21.00082602 21.24624097 24.54742297 -39.26049263 -13.64209196 Fe 25.40867248 22.24006494 21.11042859 6.09028530 4.77398163 -8.37918470 Fe 25.69220815 20.85512851 22.41346380 2.67384432 -5.73039818 3.50683936 Fe 23.91333883 22.34655491 22.37241235 21.59324865 17.87465021 10.34999059 Fe 20.99320455 23.88060284 20.98521759 -3.84829775 -0.77966984 -3.24992492 Fe 22.43858073 25.25205420 21.15488783 -23.46971237 12.39770345 -15.93926285 Fe 22.55988540 23.70245745 22.66431082 -13.25617686 -0.29114826 -8.98486643 Fe 21.02431084 25.48844065 22.74489444 -3.13201639 10.42778862 -8.41218377 Fe 23.84940664 24.16960808 20.96097674 12.30499759 -25.63538373 -27.17340449 Fe 25.43929767 25.70856747 20.74380482 1.15435731 1.31492612 -0.58722299 Fe 25.69410236 24.07219398 22.40402490 3.89530034 -4.31761901 -3.10059524 Fe 23.74934941 25.22002482 22.20230668 16.81294530 27.18741917 28.83775542 Fe 20.91661558 20.96512192 24.22586561 -12.01973183 -8.56382389 -10.26464256 Fe 22.79391194 22.22614529 24.00669420 -9.45330294 28.44553965 1.74844763 Fe 22.27761356 21.18220204 25.39362841 11.74169243 -23.39954632 21.73798807 Fe 21.23573857 22.52724172 25.27538150 -18.22691136 16.81862780 6.12309775 Fe 23.70296332 20.84887301 24.03526398 17.17865646 -29.53775484 0.43314105 Fe 25.33361136 22.20786960 24.11573140 3.14127448 24.72151406 -26.80473709 Fe 25.40698366 21.18107110 25.32825321 7.46256471 -25.71859171 26.20567821 Fe 23.93825411 22.36167917 25.76120756 1.84537493 0.68536308 9.71660097 Fe 21.01193751 24.25226748 24.01764201 -8.16776525 -9.63086564 7.06243750 Fe 22.42832974 25.57236142 24.43490026 0.48523802 12.13604415 -3.04702454 Fe 22.73854596 23.76922180 25.28229695 -5.76073779 3.71932036 16.42211304 Fe 21.01847057 25.70028619 25.72087093 -4.18964042 0.78596496 4.82191960 Fe 23.70828814 24.27711528 23.87871118 12.81598900 -4.96078504 1.12860628 Fe 25.25213077 25.23125112 23.86545159 12.12528234 9.28760392 0.70090373 Fe 25.63616082 23.76429260 25.71910562 1.96010333 0.93876472 1.02712157 Fe 24.17686952 25.51299368 25.47148583 0.56967625 4.01143737 8.77660957