project:
  name: <insert project name>

hyperfine:
  method: <insert method>
  file: <insert filename>
  spin: <insert spin>

chem_labels:
  file: <insert filename>

nuclei:
  include: <insert nucleus>   # e.g. H or C

susceptibility:
  # Option 1: susceptibility tensor from QC output
  format: <insert format>   # orca_nev | orca_cas | csv
  file: <insert filename>
  temperatures: [<insert temperature>]

  # Option 2: spin-only (Curie law, no file required; Fermi contact shifts only)
  # method: spin_only
  # temperatures: [<insert temperature>]
  # (requires hyperfine:spin, hyperfine:orbit, hyperfine:total_momentum_J)