FeNi (MMD-1199)

{
  "kmesh": [
    16,
    16,
    11
  ],
  "mae_ev": 0.00006288498852530765,
  "method": "tb2j",
  "status": "success",
  "n_atoms": 2,
  "easy_axis": "001",
  "hard_axis": "010",
  "tb2j_scf_dir": "/data/calculations/8e3c3c10-fa40-4d1f-8882-b62ff676dd63/tb2j_scf_soc0",
  "mae_mj_per_m3": 0.4477554003357504,
  "tb2j_energies": {
    "100": -0.008477644142620621,
    "001": -0.008540529131145901,
    "010": -0.008477644142620594
  },
  "tb2j_nscf_dir": "/data/calculations/8e3c3c10-fa40-4d1f-8882-b62ff676dd63/tb2j_nscf_soc1",
  "calculation_id": "8e3c3c10-fa40-4d1f-8882-b62ff676dd63",
  "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": "8e3c3c10-fa40-4d1f-8882-b62ff676dd63",
    "smearing_sigma": 0.05,
    "smearing_method": "mp"
  },
  "mae_mev_per_atom": 0.031442494262653824,
  "volume_angstrom3": 22.501763053903147,
  "magnetic_hardness_kappa": 0.4468633335452183,
  "calculation_time_seconds": 531.6125068664551,
  "total_magnetic_moment_uB": 3.24108,
  "saturation_magnetization_A_per_m": 1335797.9212273194
}