File: phonopy_unitcell.yaml

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phonopy 2.44.0-1
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unit_cell:
  lattice:
    - [0.000000000000000, 2.733099421887393, 2.733099421887393] # a
    - [2.733099421887393, 0.000000000000000, 2.733099421887393] # b
    - [2.733099421887393, 2.733099421887393, 0.000000000000000] # c
  points:
    - symbol: Si # 1
      coordinates: [0.875000000000000, 0.875000000000000, 0.875000000000000]
    - symbol: Si # 2
      coordinates: [0.125000000000000, 0.125000000000000, 0.125000000000000]