[general]
name = "Fe444"
nat = 128
kd = ["Fe"]
periodicity = [true, true, true]

[symmetry]
tolerance = 1.0e-5
isotropy = true

[interaction]
nbody = 2

[interaction.body1]
lmax.Fe = 0

[interaction.body2]
cutoff."Fe-Fe" = -1
lsum = 2

[structure]
lattice = [
  [11.3192, 0.0, 0.0],
  [0.0, 11.3192, 0.0],
  [0.0, 0.0, 11.3192],
]
kd_list = [
  1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
  1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
  1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
  1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
  1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
  1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
  1, 1, 1, 1, 1, 1, 1, 1,
]
position = [
  [0.000000000000000, 0.000000000000000, 0.000000000000000],
  [0.125000000000000, 0.125000000000000, 0.125000000000000],
  [0.000000000000000, 0.000000000000000, 0.250000000000000],
  [0.000000000000000, 0.000000000000000, 0.750000000000000],
  [0.250000000000000, 0.000000000000000, 0.000000000000000],
  [0.750000000000000, 0.000000000000000, 0.000000000000000],
  [0.000000000000000, 0.250000000000000, 0.000000000000000],
  [0.000000000000000, 0.750000000000000, 0.000000000000000],
  [0.125000000000000, 0.125000000000000, 0.375000000000000],
  [0.125000000000000, 0.125000000000000, 0.875000000000000],
  [0.375000000000000, 0.125000000000000, 0.125000000000000],
  [0.875000000000000, 0.125000000000000, 0.125000000000000],
  [0.125000000000000, 0.375000000000000, 0.125000000000000],
  [0.125000000000000, 0.875000000000000, 0.125000000000000],
  [0.000000000000000, 0.000000000000000, 0.500000000000000],
  [0.500000000000000, 0.000000000000000, 0.000000000000000],
  [0.000000000000000, 0.500000000000000, 0.000000000000000],
  [0.125000000000000, 0.125000000000000, 0.625000000000000],
  [0.625000000000000, 0.125000000000000, 0.125000000000000],
  [0.125000000000000, 0.625000000000000, 0.125000000000000],
  [0.000000000000000, 0.250000000000000, 0.250000000000000],
  [0.000000000000000, 0.750000000000000, 0.750000000000000],
  [0.000000000000000, 0.750000000000000, 0.250000000000000],
  [0.000000000000000, 0.250000000000000, 0.750000000000000],
  [0.250000000000000, 0.000000000000000, 0.250000000000000],
  [0.750000000000000, 0.000000000000000, 0.750000000000000],
  [0.250000000000000, 0.000000000000000, 0.750000000000000],
  [0.750000000000000, 0.000000000000000, 0.250000000000000],
  [0.250000000000000, 0.250000000000000, 0.000000000000000],
  [0.750000000000000, 0.750000000000000, 0.000000000000000],
  [0.750000000000000, 0.250000000000000, 0.000000000000000],
  [0.250000000000000, 0.750000000000000, 0.000000000000000],
  [0.125000000000000, 0.375000000000000, 0.375000000000000],
  [0.125000000000000, 0.875000000000000, 0.875000000000000],
  [0.125000000000000, 0.875000000000000, 0.375000000000000],
  [0.125000000000000, 0.375000000000000, 0.875000000000000],
  [0.375000000000000, 0.125000000000000, 0.375000000000000],
  [0.875000000000000, 0.125000000000000, 0.875000000000000],
  [0.375000000000000, 0.125000000000000, 0.875000000000000],
  [0.875000000000000, 0.125000000000000, 0.375000000000000],
  [0.375000000000000, 0.375000000000000, 0.125000000000000],
  [0.875000000000000, 0.875000000000000, 0.125000000000000],
  [0.875000000000000, 0.375000000000000, 0.125000000000000],
  [0.375000000000000, 0.875000000000000, 0.125000000000000],
  [0.000000000000000, 0.250000000000000, 0.500000000000000],
  [0.000000000000000, 0.750000000000000, 0.500000000000000],
  [0.500000000000000, 0.000000000000000, 0.250000000000000],
  [0.500000000000000, 0.000000000000000, 0.750000000000000],
  [0.250000000000000, 0.500000000000000, 0.000000000000000],
  [0.750000000000000, 0.500000000000000, 0.000000000000000],
  [0.250000000000000, 0.000000000000000, 0.500000000000000],
  [0.750000000000000, 0.000000000000000, 0.500000000000000],
  [0.000000000000000, 0.500000000000000, 0.750000000000000],
  [0.000000000000000, 0.500000000000000, 0.250000000000000],
  [0.500000000000000, 0.250000000000000, 0.000000000000000],
  [0.500000000000000, 0.750000000000000, 0.000000000000000],
  [0.125000000000000, 0.375000000000000, 0.625000000000000],
  [0.125000000000000, 0.875000000000000, 0.625000000000000],
  [0.625000000000000, 0.125000000000000, 0.375000000000000],
  [0.625000000000000, 0.125000000000000, 0.875000000000000],
  [0.375000000000000, 0.625000000000000, 0.125000000000000],
  [0.875000000000000, 0.625000000000000, 0.125000000000000],
  [0.375000000000000, 0.125000000000000, 0.625000000000000],
  [0.875000000000000, 0.125000000000000, 0.625000000000000],
  [0.125000000000000, 0.625000000000000, 0.875000000000000],
  [0.125000000000000, 0.625000000000000, 0.375000000000000],
  [0.625000000000000, 0.375000000000000, 0.125000000000000],
  [0.625000000000000, 0.875000000000000, 0.125000000000000],
  [0.000000000000000, 0.500000000000000, 0.500000000000000],
  [0.500000000000000, 0.000000000000000, 0.500000000000000],
  [0.500000000000000, 0.500000000000000, 0.000000000000000],
  [0.125000000000000, 0.625000000000000, 0.625000000000000],
  [0.625000000000000, 0.125000000000000, 0.625000000000000],
  [0.625000000000000, 0.625000000000000, 0.125000000000000],
  [0.250000000000000, 0.250000000000000, 0.250000000000000],
  [0.750000000000000, 0.750000000000000, 0.750000000000000],
  [0.750000000000000, 0.750000000000000, 0.250000000000000],
  [0.250000000000000, 0.250000000000000, 0.750000000000000],
  [0.750000000000000, 0.250000000000000, 0.750000000000000],
  [0.250000000000000, 0.750000000000000, 0.250000000000000],
  [0.250000000000000, 0.750000000000000, 0.750000000000000],
  [0.750000000000000, 0.250000000000000, 0.250000000000000],
  [0.375000000000000, 0.375000000000000, 0.375000000000000],
  [0.875000000000000, 0.875000000000000, 0.875000000000000],
  [0.875000000000000, 0.875000000000000, 0.375000000000000],
  [0.375000000000000, 0.375000000000000, 0.875000000000000],
  [0.875000000000000, 0.375000000000000, 0.875000000000000],
  [0.375000000000000, 0.875000000000000, 0.375000000000000],
  [0.375000000000000, 0.875000000000000, 0.875000000000000],
  [0.875000000000000, 0.375000000000000, 0.375000000000000],
  [0.250000000000000, 0.250000000000000, 0.500000000000000],
  [0.750000000000000, 0.750000000000000, 0.500000000000000],
  [0.750000000000000, 0.250000000000000, 0.500000000000000],
  [0.250000000000000, 0.750000000000000, 0.500000000000000],
  [0.500000000000000, 0.250000000000000, 0.250000000000000],
  [0.500000000000000, 0.750000000000000, 0.750000000000000],
  [0.500000000000000, 0.750000000000000, 0.250000000000000],
  [0.500000000000000, 0.250000000000000, 0.750000000000000],
  [0.250000000000000, 0.500000000000000, 0.250000000000000],
  [0.750000000000000, 0.500000000000000, 0.750000000000000],
  [0.250000000000000, 0.500000000000000, 0.750000000000000],
  [0.750000000000000, 0.500000000000000, 0.250000000000000],
  [0.375000000000000, 0.375000000000000, 0.625000000000000],
  [0.875000000000000, 0.875000000000000, 0.625000000000000],
  [0.875000000000000, 0.375000000000000, 0.625000000000000],
  [0.375000000000000, 0.875000000000000, 0.625000000000000],
  [0.625000000000000, 0.375000000000000, 0.375000000000000],
  [0.625000000000000, 0.875000000000000, 0.875000000000000],
  [0.625000000000000, 0.875000000000000, 0.375000000000000],
  [0.625000000000000, 0.375000000000000, 0.875000000000000],
  [0.375000000000000, 0.625000000000000, 0.375000000000000],
  [0.875000000000000, 0.625000000000000, 0.875000000000000],
  [0.375000000000000, 0.625000000000000, 0.875000000000000],
  [0.875000000000000, 0.625000000000000, 0.375000000000000],
  [0.250000000000000, 0.500000000000000, 0.500000000000000],
  [0.750000000000000, 0.500000000000000, 0.500000000000000],
  [0.500000000000000, 0.250000000000000, 0.500000000000000],
  [0.500000000000000, 0.750000000000000, 0.500000000000000],
  [0.500000000000000, 0.500000000000000, 0.250000000000000],
  [0.500000000000000, 0.500000000000000, 0.750000000000000],
  [0.375000000000000, 0.625000000000000, 0.625000000000000],
  [0.875000000000000, 0.625000000000000, 0.625000000000000],
  [0.625000000000000, 0.375000000000000, 0.625000000000000],
  [0.625000000000000, 0.875000000000000, 0.625000000000000],
  [0.625000000000000, 0.625000000000000, 0.375000000000000],
  [0.625000000000000, 0.625000000000000, 0.875000000000000],
  [0.500000000000000, 0.500000000000000, 0.500000000000000],
  [0.625000000000000, 0.625000000000000, 0.625000000000000],
]
