{
  "pk": {
    "title": "PK",
    "type": "text",
    "description": "The AiiDA PK of the calculation"
  },
  "uuid": {
    "title": "UUID",
    "type": "text",
    "description": "The AiiDA UUID of the calculation"
  },
  "label": {
    "title": "Label",
    "type": "text",
    "description": "The label of the calculation"
  },
  "description": {
    "title": "Description",
    "type": "text",
    "description": "The description of the calculation"
  },
  "creation_time": {
    "title": "Creation time",
    "type": "text",
    "description": "The creation time of the calculation"
  },
  "modification_time": {
    "title": "Modification time",
    "type": "text",
    "description": "The modification time of the calculation"
  },
  "structure_pk": {
    "title": "Structure PK",
    "type": "text",
    "description": "The AiiDA PK of the structure"
  },
  "structure_uuid": {
    "title": "Structure UUID",
    "type": "text",
    "description": "The AiiDA UUID of the structure"
  },
  "formula": {
    "title": "Chemical formula",
    "type": "text",
    "description": "The formula of the structure"
  },
  "num_atoms": {
    "title": "Number of atoms",
    "type": "text",
    "description": "The number of atoms in the structure"
  },
  "space_group": {
    "title": "Space group",
    "type": "text",
    "description": "The space group of the structure"
  },
  "point_group": {
    "title": "Point group",
    "type": "text",
    "description": "The point group of the molecule"
  },
  "cell_lengths": {
    "title": "Cell lengths in Å",
    "type": "text",
    "description": "The cell lengths of the structure"
  },
  "cell_angles": {
    "title": "Cell angles in degrees",
    "type": "text",
    "description": "The cell angles of the structure"
  },
  "relaxed": {
    "title": "Structure geometry optimization",
    "type": "text",
    "description": "Whether the structure geometry is optimized (and to what level)"
  },
  "protocol": {
    "title": "Protocol",
    "type": "text",
    "description": "The protocol used for the calculation"
  },
  "spin_type": {
    "title": "Magnetism",
    "type": "text",
    "description": "The spin type considered"
  },
  "electronic_type": {
    "title": "Electronic type",
    "type": "text",
    "description": "The electronic type considered"
  },
  "periodicity": {
    "title": "Periodicity",
    "type": "text",
    "description": "The periodicity of the structure"
  },
  "functional": {
    "title": "Functional",
    "type": "link",
    "description": "The DFT functional used for the calculation"
  },
  "pseudo_library": {
    "title": "Pseudopotential library",
    "type": "link",
    "description": "The pseudopotential library used for the calculation"
  },
  "pseudo_protocol": {
    "title": "Pseudopotential protocol",
    "type": "text",
    "description": "The pseudopotential protocol used for the calculation"
  },
  "energy_cutoff_wfc": {
    "title": "Energy cutoff (wave functions)",
    "type": "text",
    "description": "The energy cutoff for wavefunctions"
  },
  "energy_cutoff_rho": {
    "title": "Energy cutoff (charge density)",
    "type": "text",
    "description": "The energy cutoff for the charge density"
  },
  "occupation_type": {
    "title": "Occupation type (SCF)",
    "type": "text",
    "description": "The occupation type used for the SCF calculation"
  },
  "degauss": {
    "title": "Smearing width (degauss)",
    "type": "text",
    "indent": 1,
    "description": "The smearing width used for the calculation"
  },
  "smearing": {
    "title": "Smearing type",
    "type": "text",
    "indent": 1,
    "description": "The smearing type used for the calculation"
  },
  "scf_kpoints_distance": {
    "title": "K-point mesh distance (SCF)",
    "type": "text",
    "description": "The distance between k-points for the SCF calculation"
  },
  "bands_kpoints_distance": {
    "title": "K-point mesh distance (Bands)",
    "type": "text",
    "description": "The distance between k-points for the bands calculation"
  },
  "nscf_kpoints_distance": {
    "title": "K-point mesh distance (NSCF)",
    "type": "text",
    "description": "The distance between k-points for the PDOS calculation"
  },
  "tot_charge": {
    "title": "Total charge",
    "type": "text",
    "description": "The total charge of the system"
  },
  "vdw_corr": {
    "title": "Van der Waals correction",
    "type": "text",
    "description": "The van der Waals correction used for the calculation"
  },
  "tot_magnetization": {
    "title": "Total magnetization",
    "type": "text",
    "description": "The total magnetization of the system"
  },
  "initial_magnetic_moments": {
    "title": "Initial magnetic moments",
    "type": "text",
    "description": "The initial magnetic moments of the system"
  },
  "hubbard_u": {
    "title": "DFT+U",
    "type": "text",
    "description": "The Hubbard U values used for the calculation"
  },
  "spin_orbit": {
    "title": "Spin-orbit coupling",
    "type": "bool",
    "description": "Whether spin-orbit coupling is considered"
  }
}
