{
  "numpy_version": "2.4.6",
  "projection": "QE 7.2 matdyn dynq: squared dynamical-matrix eigenvector",
  "density_unit": "states/THz",
  "frequency_unit": "THz",
  "cases": {
    "zrcl2-sc2c": {
      "sources": [
        "examples/zrcl2-sc2c/ph64/zrclscc.phdos",
        "examples/zrcl2-sc2c/ph64/pwx.in"
      ],
      "atom_order": [
        "Zr",
        "C",
        "Cl",
        "Cl",
        "Sc",
        "Sc"
      ],
      "layer_site_indices_1based": {
        "ZrCl2": [
          1,
          3,
          4
        ],
        "Sc2C": [
          2,
          5,
          6
        ]
      },
      "rows": 400,
      "frequency_range_THz": [
        -1.3852042376309087e-07,
        16.934604345064102
      ],
      "total_integral": 18.523933483603958,
      "expected_modes": 18,
      "atom_integrals": [
        3.081039150430741,
        2.801280420745771,
        3.219428084097357,
        3.2505446474573314,
        3.0227560279504364,
        3.1488806293122154
      ],
      "group_integrals": {
        "Zr": 3.081039150430741,
        "C": 2.801280420745771,
        "Cl": 6.469972731554689,
        "Sc": 6.171636657262651,
        "ZrCl2": 9.55101188198543,
        "Sc2C": 8.972917078008422
      },
      "max_projection_sum_error_relative_to_peak": 9.400481123275893e-06
    },
    "snse2-sr2n": {
      "sources": [
        "examples/snse2-sr2n/ph64/srnsnse.phdos",
        "examples/snse2-sr2n/ph64/pwxall.in"
      ],
      "atom_order": [
        "Sr",
        "Sr",
        "Sn",
        "Se",
        "Se",
        "N"
      ],
      "layer_site_indices_1based": {
        "Sr2N": [
          1,
          2,
          6
        ],
        "SnSe2": [
          3,
          4,
          5
        ]
      },
      "rows": 400,
      "frequency_range_THz": [
        0.0,
        11.954624695835944
      ],
      "total_integral": 18.74245521468358,
      "expected_modes": 18,
      "atom_integrals": [
        3.2803878746014727,
        3.1045900634204204,
        3.1316750724248354,
        3.179592291196991,
        3.089057580064385,
        2.957139602581225
      ],
      "group_integrals": {
        "Sr": 6.384977938021893,
        "Sn": 3.1316750724248354,
        "Se": 6.268649871261375,
        "N": 2.957139602581225,
        "Sr2N": 9.34211754060312,
        "SnSe2": 9.400324943686211
      },
      "max_projection_sum_error_relative_to_peak": 4.769051001970793e-06
    }
  }
}