108 Lattice="10.752697306493426 0.0 0.0 0.0 10.752697306493426 0.0 0.0 0.0 10.752697306493426" Properties=species:S:1:pos:R:3:forces:R:3 energy=-389.6632592329788 stress="-0.006359908956036964 -0.00019084357538617057 0.0009867518083770215 -0.00019084357538617057 -0.005746246447710068 0.0007406088866144419 0.0009867518083770215 0.0007406088866144419 -0.006226992272906276" pbc="F F F" Fe 0.03089321 0.00648338 0.00412120 0.17367167 0.22156906 0.16704194 Fe 1.79946886 1.82476182 0.00283401 -0.08962878 -0.34742941 -0.20669168 Fe 1.77878989 0.02409528 1.80307745 0.10870155 -0.26318402 0.02390802 Fe 0.02654685 1.78367358 1.81201449 -0.32302119 0.04554442 -0.04092280 Fe 3.55203266 0.01863761 0.04044407 0.09054249 -0.09765192 -0.09691733 Fe 5.37219085 1.76885596 0.01953700 -0.03026147 0.12069680 -0.22990877 Fe 5.36772510 0.00971036 1.82658117 0.25635050 -0.31274417 -0.28329145 Fe 3.60611800 1.76791773 1.81534158 -0.32262486 0.19229868 -0.09658525 Fe 7.17784097 0.02865982 0.00563628 -0.10325650 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