aBN_HSX / README.md
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metadata
dataset_info:
  features:
    - name: nr_atoms
      dtype: int64
    - name: atomic_types_z
      sequence: int32
    - name: atomic_positions
      sequence:
        sequence: float64
    - name: lattice_nsc
      sequence: int32
    - name: lattice_origin
      sequence: float64
    - name: lattice_vectors
      sequence:
        sequence: float64
    - name: boundary_condition
      sequence:
        sequence: int32
    - name: h_matrix
      sequence:
        sequence: float64
    - name: s_matrix
      sequence:
        sequence: float64
  splits:
    - name: train
      num_bytes: 512858576
      num_examples: 164
  download_size: 80906517
  dataset_size: 512858576
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*