{
  "workflow": {
    "functional": "ki",
    "method": "dscf",
    "init_orbitals": "kohn-sham",
    "alpha_numsteps": 1,
    "pseudo_library": "SG15/1.2/PBE/SR"
  },
  "engine": {
    "from_scratch": true
  },
  "atoms": {
    "cell_parameters": {
      "vectors": [[14.1738, 0.0, 0.0],
                  [0.0, 12.0, 0.0],
                  [0.0, 0.0, 12.66]],
      "units": "angstrom",
      "periodic": false
    },
    "atomic_positions": {
      "units": "angstrom",
      "positions": [
        ["O", 7.0869, 6.0, 5.89],
        ["O", 8.1738, 6.0, 6.55],
        ["O", 6.0, 6.0, 6.55]
      ]
    }
  },
  "calculator_parameters": {
    "ecutwfc": 65.0,
    "ecutrho": 260.0,
    "nbnd": 10
  }
}