108 Lattice="10.752697151155518 0.0 0.0 0.0 10.752697151155518 0.0 0.0 0.0 10.752697151155518" Properties=species:S:1:pos:R:3:forces:R:3 energy=-389.59285731972454 stress="-0.007214291876747479 -0.00010096650062916778 0.00025166437863457413 -0.00010096650062916778 -0.007324338194440347 -0.0002484223460014529 0.00025166437863457413 -0.0002484223460014529 -0.006976868160463643" free_energy=-389.59285731972454 pbc="F F F" Fe 0.00215582 0.03257563 0.02396604 -0.04903068 -0.07865253 -0.06830773 Fe 1.76126341 1.78192965 0.01976856 0.42614842 0.25101049 -0.26180519 Fe 1.76375330 0.01389370 1.77713087 0.32109043 -0.32383085 0.22405959 Fe 0.00758854 1.78226502 1.76853352 -0.33863479 0.28180612 0.34972529 Fe 3.60955549 0.02432265 0.03000023 -0.32462586 -0.18566071 -0.18783932 Fe 5.34354909 1.77469900 0.02103253 0.24651797 0.31252305 -0.29305050 Fe 5.36375333 0.01495162 1.76772046 0.15840061 -0.33131216 0.46624690 Fe 3.58572413 1.76231080 1.82057580 -0.24001716 0.44592129 -0.20709017 Fe 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