32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-33.20486531097559 stress="-1.0146517585616637 -0.10412543251975986 -0.17761109999594224 -0.10412543251975986 -0.7554864016581089 -0.1137604454322473 -0.17761109999594224 -0.1137604454322473 -0.6196404075178897" free_energy=-33.20486531097559 pbc="F F F"
C        0.09197875       0.26599513       0.17918122      -2.23144049     -17.11992010     -18.26002722
C        1.73188479       1.78852095       0.07410976      -0.83194222       4.52903978       4.26494921
Fe       1.69045800       0.20477970       1.43332698     -17.16277147       2.24509441      -5.57072393
Fe       0.24474403       1.40411058       1.45742157      -2.07931377      13.85761620      22.37987707
Fe       2.87252202       0.18396763       0.20040666      14.47969948       3.14291677     -11.17784599
C        4.32057009       1.50047898       0.27240940       0.43029224     -13.60557140       4.91605383
Fe       4.65374828       0.15369691       1.62858989      -0.74306177       7.93136341      -7.10410544
C        2.96409061       1.64618898       1.59991374      -3.47643634      -2.92908595       1.61598078
Fe       0.03480345       3.05588343       0.42363956     -56.63979185      -9.34256604     -46.33351354
C        1.28666613       4.40977949       0.14408857      -0.99266178      27.30960267     -13.69093556
Fe       1.17569531       3.20902946       1.29590009      83.95433926     -53.82332777      49.06889280
C        0.33152155       4.50685209       1.54052745     -18.44733715      37.59093247      -4.34715299
C        2.73417086       2.94170993       0.18168807      -7.85555169      -1.10605507       4.05271219
C        4.59462521       4.38306344       0.08400308      18.64104328      -0.99817625     -13.74295642
Fe       4.58306046       2.99710596       1.35021554      -1.24613377      -1.46579351       1.11126479
Fe       3.16850053       4.69000448       1.02164598     -17.86528413       4.48288852      12.00090066
C        0.50990473       0.04715490       3.05210001       1.07539323       1.29358655       2.27697687
C        1.46864501       1.68038758       3.00736779      -3.51163713       3.82562019       6.96531999
C        1.57651816       0.27714813       4.38910001     -21.31630098     -19.01439929      -6.15550535
Fe       0.26111147       1.72232616       4.52092975     -17.15730779     -24.55177935      -6.22497040
C        2.72147108       0.19736496       2.82128623       8.83849801       2.74556961      19.53595864
C        4.61903583       1.62841842       3.27820060       2.09109719      -0.14220709      -1.95321297
Fe       4.26852405       0.30607569       4.53604420       2.09350156      -3.30841859       3.11116665
Fe       2.71035018       1.53922890       4.37689326      32.37589417      22.34094583     -10.67033755
Fe       0.11719846       3.27680686       3.09967038      -9.48134260     -11.31666042     -12.47826857
Fe       1.49640474       4.56224969       2.99139268       8.14124872       9.70513477      -0.55643856
Fe       1.48058377       2.76986142       4.63236414      17.91177644      21.60368196       2.66970695
Fe       0.24876683       4.30772007       4.53790681      -3.63261152      10.40358508      14.25078810
C        2.89234940       2.71647147       3.07493195      -7.57107405     -18.11299027       6.18166256
C        4.68888779       4.52623853       3.15068021      17.51113095       6.19307595     -13.10013089
C        4.54199028       2.83552372       4.44842510      -4.02982189       5.39065932       1.55758108
Fe       3.26901299       4.25564528       4.10237470     -11.27209216      -7.75436238      15.40633318