Fe19Mn (P4-m)

{
  "kmesh": [
    14,
    5,
    5
  ],
  "mae_ev": 0.0016312231971727653,
  "method": "tb2j",
  "status": "success",
  "n_atoms": 20,
  "easy_axis": "010",
  "hard_axis": "001",
  "tb2j_scf_dir": "/data/calculations/9373506b-7bbe-4b65-be02-e9b66b0033c4/tb2j_scf_soc0",
  "mae_mj_per_m3": 1.1476130242097966,
  "tb2j_energies": {
    "100": -0.08492384800285838,
    "001": -0.08329266129336438,
    "010": -0.08492388449053714
  },
  "tb2j_nscf_dir": "/data/calculations/9373506b-7bbe-4b65-be02-e9b66b0033c4/tb2j_nscf_soc1",
  "calculation_id": "9373506b-7bbe-4b65-be02-e9b66b0033c4",
  "input_parameters": {
    "method": "tb2j",
    "pp_dir": "/data/data/orbitals/Dojo-NC-FR/Pseudopotential",
    "ecutwfc": 65,
    "scf_thr": 0.000001,
    "kspacing": 0.16,
    "scf_nmax": 100,
    "basis_dir": "/data/data/orbitals/Dojo-NC-FR",
    "calculation_id": "9373506b-7bbe-4b65-be02-e9b66b0033c4",
    "smearing_sigma": 0.05,
    "smearing_method": "mp"
  },
  "mae_mev_per_atom": 0.08156115985863827,
  "volume_angstrom3": 227.73423063480328,
  "magnetic_hardness_kappa": 0.5425356549574967,
  "calculation_time_seconds": 2159.997479200363,
  "total_magnetic_moment_uB": 43.2539,
  "saturation_magnetization_A_per_m": 1761426.4652323779
}