{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 8,
  "input_formula": "Br2F2O4",
  "input_spacegroup": "Cc",
  "input_pointgroup": "m",
  "input_is_polar_point_group": true,
  "input_energy_eV": -28.24882785841505,
  "input_cartesian_polarization_e_A2": [
    2.7214707021179412e-08,
    -0.0008256186397527813,
    0.0036277894352083305
  ],
  "input_reduced_polarization": [
    -0.018051076607572724,
    -0.05549620979956812,
    0.09159986968064132
  ],
  "input_formal_targets": [
    {
      "orbit_id": 0,
      "representative_formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 1,
      "representative_formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.5
      ]
    },
    {
      "orbit_id": 2,
      "representative_formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 3,
      "representative_formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 4,
      "representative_formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.5
      ]
    },
    {
      "orbit_id": 5,
      "representative_formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.5
      ]
    },
    {
      "orbit_id": 6,
      "representative_formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 7,
      "representative_formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.5
      ]
    }
  ],
  "parent_candidates": [
    {
      "candidate_id": "inversion_parent_endpoint_00",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 2.7689734273884376e-15,
      "parent_symmetrization_rmsd_A": 0.915965575957634,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -8.787608019891142,
      "reduced_polarization": [
        1.499581403787632e-15,
        -2.3258049500486813e-15,
        -9.539805724771061e-17
      ],
      "cartesian_polarization_e_A2": [
        1.0438977167953724e-17,
        -7.42202882820747e-17,
        -3.778215683376516e-18
      ],
      "ranking_score": 0.9159655759576395
    },
    {
      "candidate_id": "inversion_parent_endpoint_01",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 4.4900930369997086e-15,
      "parent_symmetrization_rmsd_A": 0.9680430497553425,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -22.217390853960737,
      "reduced_polarization": [
        1.8980007261872904e-15,
        -4.067115431801484e-15,
        1.307699839719042e-16
      ],
      "cartesian_polarization_e_A2": [
        -2.534860938833966e-18,
        -1.26791563899546e-16,
        5.179111803866437e-18
      ],
      "ranking_score": 0.9680430497553515
    },
    {
      "candidate_id": "inversion_parent_endpoint_02",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 3.8049703933518155e-15,
      "parent_symmetrization_rmsd_A": 1.1128840317056439,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -21.56739111159541,
      "reduced_polarization": [
        3.726701165329635e-15,
        5.3652363287811135e-17,
        -7.65910923363964e-16
      ],
      "cartesian_polarization_e_A2": [
        1.2175699007069784e-16,
        -6.022946830367497e-18,
        -3.033370643187352e-17
      ],
      "ranking_score": 1.1128840317056514
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cc",
      "spacegroup_number": 9,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 6.112247681730138e-05,
      "parent_symmetrization_rmsd_A": 0.09859281111895964,
      "parent_cell_rmsd_A": 0.034927768280772445,
      "energy_eV": -27.909984044771132,
      "reduced_polarization": [
        -1.9113518597772972e-05,
        -1.721730630601376e-05,
        5.544542309928774e-05
      ],
      "cartesian_polarization_e_A2": [
        1.9600800066154262e-11,
        1.6747930199954415e-08,
        2.2113133229752625e-06
      ],
      "ranking_score": 0.6074469981427874
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 4.043449634466987e-15,
      "parent_symmetrization_rmsd_A": 0.9159771629539516,
      "parent_cell_rmsd_A": 0.034927768280772445,
      "energy_eV": -7.700862492422513,
      "reduced_polarization": [
        -3.17432661737436e-16,
        -4.024756983174227e-15,
        -2.23724558606763e-16
      ],
      "cartesian_polarization_e_A2": [
        -8.90519887517546e-17,
        -1.3029210303149965e-16,
        -8.955740234801567e-18
      ],
      "ranking_score": 0.9247091050241528
    },
    {
      "candidate_id": "inversion_parent_bec_00_01",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 2.630495393514459e-15,
      "parent_symmetrization_rmsd_A": 1.1129087555266177,
      "parent_cell_rmsd_A": 0.034927768280772445,
      "energy_eV": -21.861502183068428,
      "reduced_polarization": [
        2.6209254463204323e-15,
        2.1688446375656768e-16,
        5.671815857251824e-17
      ],
      "cartesian_polarization_e_A2": [
        1.0057899130096381e-16,
        7.475742399183146e-18,
        2.2639597729491093e-18
      ],
      "ranking_score": 1.121640697596816
    },
    {
      "candidate_id": "bec_projection_01",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.5
      ],
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_residual": 0.1534384830207352,
      "parent_symmetrization_rmsd_A": 0.4126685825540823,
      "parent_cell_rmsd_A": 0.42208168626736403,
      "energy_eV": -22.62998233939434,
      "reduced_polarization": [
        -0.01659647154182282,
        0.006789164207622077,
        0.34761288619628017
      ],
      "cartesian_polarization_e_A2": [
        0.005508559139092101,
        0.0033750434757686717,
        0.012956159072594328
      ],
      "ranking_score": 1.3250659701623937
    },
    {
      "candidate_id": "bec_projection_02",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_residual": 0.0061657282189029,
      "parent_symmetrization_rmsd_A": 0.3373989554676947,
      "parent_cell_rmsd_A": 0.42870988967631707,
      "energy_eV": -3.280654816795547,
      "reduced_polarization": [
        -0.004914474809976376,
        -0.49640488690196266,
        0.0009691767763434844
      ],
      "cartesian_polarization_e_A2": [
        -0.00898568362855834,
        -0.015298327368208802,
        0.001286475420683404
      ],
      "ranking_score": 0.9569078843245797
    },
    {
      "candidate_id": "bec_projection_03",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.0
      ],
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_residual": 0.0030723507405011176,
      "parent_symmetrization_rmsd_A": 0.34984661178030574,
      "parent_cell_rmsd_A": 0.34725654752881496,
      "energy_eV": -9.332655242656646,
      "reduced_polarization": [
        -0.5009645461767588,
        0.001460108677548785,
        -0.002525286596666706
      ],
      "cartesian_polarization_e_A2": [
        -0.01796838420162465,
        -0.0001023458009656808,
        0.0009503170068097285
      ],
      "ranking_score": 0.9428054501435117
    },
    {
      "candidate_id": "bec_projection_04",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cc",
      "spacegroup_number": 9,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 0.20778409196771988,
      "parent_symmetrization_rmsd_A": 0.49789705533521017,
      "parent_cell_rmsd_A": 0.41341361449245273,
      "energy_eV": -22.45260974613275,
      "reduced_polarization": [
        -0.021671156855829734,
        -0.3338202430786096,
        0.3771632049224359
      ],
      "cartesian_polarization_e_A2": [
        4.558627012303177e-09,
        -0.006157919718276153,
        0.013763194258136963
      ],
      "ranking_score": 1.5168186428937631
    },
    {
      "candidate_id": "bec_projection_05",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 0.22265489577527428,
      "parent_symmetrization_rmsd_A": 0.4126682500513742,
      "parent_cell_rmsd_A": 0.3034293628285771,
      "energy_eV": -22.630008846553984,
      "reduced_polarization": [
        -0.33780529331972065,
        0.006788950411406871,
        0.3476123696295928
      ],
      "cartesian_polarization_e_A2": [
        -0.005508560439381349,
        0.0033750328789687433,
        0.012956138862611865
      ],
      "ranking_score": 1.433835382309067
    },
    {
      "candidate_id": "bec_projection_06",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 0.2976579945047542,
      "parent_symmetrization_rmsd_A": 0.35717947415223533,
      "parent_cell_rmsd_A": 0.4851960136696871,
      "energy_eV": 2.1211725862701396,
      "reduced_polarization": [
        -0.24001075470271072,
        -0.38344206139733394,
        -0.08614012404817721
      ],
      "cartesian_polarization_e_A2": [
        -0.016959209107528232,
        -0.012717392592344442,
        -0.0021843118184202816
      ],
      "ranking_score": 1.5737944665791654
    },
    {
      "candidate_id": "bec_projection_07",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.5
      ],
      "formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_residual": 0.39344191539124007,
      "parent_symmetrization_rmsd_A": 0.4235309936467412,
      "parent_cell_rmsd_A": 0.18607480260741413,
      "energy_eV": -23.229871122694732,
      "reduced_polarization": [
        -0.25032529059522934,
        -0.2721244299653967,
        0.29867487774305057
      ],
      "cartesian_polarization_e_A2": [
        -0.008307131414881935,
        -0.005232568857176859,
        0.011577504948434802
      ],
      "ranking_score": 1.756933525081075
    }
  ],
  "formal_branches": [
    {
      "orbit_id": 0,
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "target_residual": 0.10861034386429597,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.0877598127444845,
            "max_log_strain_component": 0.0063612105670763875,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              0.9965153162097794,
              0.9963225683855508,
              0.9936208804408593
            ],
            "cell_volume_ratio": 0.9865171859665726,
            "cell_rmsd_from_input_A": 0.035851802638064006
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.00010163365294595523,
              0.002659290212242441,
              -0.0028625340207593586
            ],
            "branch_aligned_reduced_polarization": [
              0.00010163365294595523,
              0.002659290212242441,
              -0.0028625340207593586
            ],
            "target_residual": 0.003908484981721731,
            "energy_eV": -27.88084913727337,
            "max_atomic_step_A": 0.002752901254409146,
            "max_log_strain_component": 0.00019202769720445085,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              0.9966062707635173,
              0.996437231217113,
              0.9938266789934944
            ],
            "cell_volume_ratio": 0.986925142099989,
            "cell_rmsd_from_input_A": 0.034927768280772445
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -1.9113518597772972e-05,
              -1.721730630601376e-05,
              5.544542309928774e-05
            ],
            "branch_aligned_reduced_polarization": [
              -1.9113518597772972e-05,
              -1.721730630601376e-05,
              5.544542309928774e-05
            ],
            "target_residual": 6.112247681730138e-05,
            "energy_eV": -27.909984044771132
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Cc",
        "spacegroup_number": 9,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 6.112247681730138e-05,
        "parent_symmetrization_rmsd_A": 0.09859281111895964,
        "parent_cell_rmsd_A": 0.034927768280772445,
        "energy_eV": -27.909984044771132,
        "reduced_polarization": [
          -1.9113518597772972e-05,
          -1.721730630601376e-05,
          5.544542309928774e-05
        ],
        "cartesian_polarization_e_A2": [
          1.9600800066154262e-11,
          1.6747930199954415e-08,
          2.2113133229752625e-06
        ],
        "ranking_score": 0.6074469981427874
      },
      "branch_status": "sampled",
      "incoming": {
        "reached": true,
        "construction": "variable_cell_linear_interpolation",
        "continuation_fractions": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "energies_eV": [
          -28.24882785841505,
          -28.25737439499513,
          -28.252106712307235,
          -28.23265459239052,
          -28.19865249398034,
          -28.14973887999344,
          -28.085556421729528,
          -28.00575307519052,
          -27.909984044771154
        ],
        "cartesian_polarizations_e_A2": [
          [
            2.7214706992369337e-08,
            -0.0008256186397527916,
            0.0036277894352083322
          ],
          [
            2.3729340419074556e-08,
            -0.000728208347741795,
            0.0031864969472316135
          ],
          [
            2.0247682697330324e-08,
            -0.0006284054462979763,
            0.0027413197640412928
          ],
          [
            1.67798047971225e-08,
            -0.0005265424961515018,
            0.0022925004317616957
          ],
          [
            1.333573846644846e-08,
            -0.00042298511108225235,
            0.0018402746731333085
          ],
          [
            9.925985650066555e-09,
            -0.0003181274736540674,
            0.0013848810187709764
          ],
          [
            6.561844749917013e-09,
            -0.00021238638776281002,
            0.0009265662251287442
          ],
          [
            3.255467327203853e-09,
            -0.0001061931229208193,
            0.0004655873120178796
          ],
          [
            1.9600853777087783e-11,
            1.674793020788362e-08,
            2.2113133229084777e-06
          ]
        ],
        "raw_reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.91135185958556e-05,
            -1.7217306305228558e-05,
            5.5445423097613146e-05
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.9113518595855784e-05,
            -1.7217306305228504e-05,
            5.544542309761369e-05
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -0.01805107660757338,
            -0.055496209799568486,
            0.09159986968064138
          ],
          [
            -0.01579612127906227,
            -0.048794194188013396,
            0.08038774978168406
          ],
          [
            -0.013549006606584535,
            -0.04199794183404504,
            0.06909707486793737
          ],
          [
            -0.011306500013541332,
            -0.03512025207085745,
            0.057734179670934305
          ],
          [
            -0.009064806828896488,
            -0.02817485616238047,
            0.04630520665957927
          ],
          [
            -0.006819726781791213,
            -0.021176347314998623,
            0.0348163490691622
          ],
          [
            -0.004566796575281085,
            -0.014140031413863607,
            0.023273986802947344
          ],
          [
            -0.0023014374128247916,
            -0.007081682280864088,
            0.011684736745995128
          ],
          [
            -1.9113518595847978e-05,
            -1.7217306305217228e-05,
            5.544542309765532e-05
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -27.90998404477115,
          -27.82015940951315,
          -27.718781553780175,
          -27.605667683042338,
          -27.48064342583869,
          -27.34354627024002,
          -27.194230002018298,
          -27.03257030114982,
          -26.858471677677237
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.960085396587841e-11,
            1.6747930214680083e-08,
            2.211313322902295e-06
          ],
          [
            -2.5817237309615444e-09,
            9.02412291310297e-05,
            -0.00037874952452930855
          ],
          [
            -5.08896513869352e-09,
            0.00018067360405907835,
            -0.0007564065023208715
          ],
          [
            -7.494945614250619e-09,
            0.00027121166759176474,
            -0.001130442163389499
          ],
          [
            -9.793214292956186e-09,
            0.0003617804094930798,
            -0.0015005798634481892
          ],
          [
            -1.1978342187148199e-08,
            0.000452352608770889,
            -0.0018665601936157712
          ],
          [
            -1.4046398890927773e-08,
            0.0005429709312016508,
            -0.0022281130038274426
          ],
          [
            -1.5995301684518366e-08,
            0.0006337667268720542,
            -0.0025849288339257815
          ],
          [
            -1.782520823426522e-08,
            0.0007249708937279454,
            -0.0029366312626621584
          ]
        ],
        "raw_reduced_polarization": [
          [
            -1.9113518595904543e-05,
            -1.7217306304965256e-05,
            5.544542309745808e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.9113518595904543e-05,
            -1.7217306304965256e-05,
            5.544542309745808e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          0.018012562016467497,
          0.05546157204021797,
          -0.09148820056873777
        ],
        "actual_opposite_endpoint_branch_residual": 0.019888187691221613
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.91135185958556e-05,
            -1.7217306305228558e-05,
            5.5445423097613146e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.9113518595855784e-05,
            -1.7217306305228504e-05,
            5.544542309761369e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -0.01805107660757338,
            -0.055496209799568486,
            0.09159986968064138
          ],
          [
            -0.01579612127906227,
            -0.048794194188013396,
            0.08038774978168406
          ],
          [
            -0.013549006606584535,
            -0.04199794183404504,
            0.06909707486793737
          ],
          [
            -0.011306500013541332,
            -0.03512025207085745,
            0.057734179670934305
          ],
          [
            -0.009064806828896488,
            -0.02817485616238047,
            0.04630520665957927
          ],
          [
            -0.006819726781791213,
            -0.021176347314998623,
            0.0348163490691622
          ],
          [
            -0.004566796575281085,
            -0.014140031413863607,
            0.023273986802947344
          ],
          [
            -0.0023014374128247916,
            -0.007081682280864088,
            0.011684736745995128
          ],
          [
            -1.9113518595847978e-05,
            -1.7217306305217228e-05,
            5.544542309765532e-05
          ],
          [
            0.001811534918259139,
            0.005882198085473522,
            -0.009505410403301495
          ],
          [
            0.0036132506987924806,
            0.011773076173242858,
            -0.01899985856552394
          ],
          [
            0.005384843674646866,
            0.017649619923652327,
            -0.028419721322022418
          ],
          [
            0.0071250409973263595,
            0.02350719670159873,
            -0.03775781996775218
          ],
          [
            0.008831958455850164,
            0.029342806201338667,
            -0.04700738545702193
          ],
          [
            0.010502506745207807,
            0.03515556441157075,
            -0.05616135493210356
          ],
          [
            0.012131841022990808,
            0.04094708226400656,
            -0.0652116495048583
          ],
          [
            0.013712940682643393,
            0.046721603146601676,
            -0.07414847133885638
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ]
    },
    {
      "orbit_id": 1,
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "target_residual": 0.41254858757930474,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.007304382482049755,
            "step_scale": 0.2822626094205797,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0110148769196856,
              1.0045043103603026,
              0.9999201384395303
            ],
            "cell_volume_ratio": 1.0154876967949464,
            "cell_rmsd_from_input_A": 0.07262542163901814
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.010488398603500305,
              -0.03000623629042071,
              0.19390039257888506
            ],
            "branch_aligned_reduced_polarization": [
              -0.010488398603500305,
              -0.03000623629042071,
              0.19390039257888503
            ],
            "target_residual": 0.3077455936076797,
            "energy_eV": -27.321207012976554,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.00931652811105008,
            "step_scale": 0.33887081937271896,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0241953627090576,
              1.010170276351186,
              1.000980469634474
            ],
            "cell_volume_ratio": 1.0356261179530724,
            "cell_rmsd_from_input_A": 0.15972874342951898
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.017993980276467085,
              -0.011233078875593784,
              0.27443044422372126
            ],
            "branch_aligned_reduced_polarization": [
              -0.017993980276467085,
              -0.011233078875593784,
              0.27443044422372126
            ],
            "target_residual": 0.22656475869014345,
            "energy_eV": -25.538617372602562,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016487007159983212,
            "step_scale": 0.3513983276836969,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0476266390776294,
              1.020417480699512,
              1.0030911939524296
            ],
            "cell_volume_ratio": 1.0723210732116841,
            "cell_rmsd_from_input_A": 0.31947760732479213
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.022515570465327896,
              -0.006039663788053092,
              0.31992270189667255
            ],
            "branch_aligned_reduced_polarization": [
              -0.022515570465327896,
              -0.006039663788053092,
              0.31992270189667255
            ],
            "target_residual": 0.18157990457164175,
            "energy_eV": -23.601445219763654,
            "max_atomic_step_A": 0.10231905613286096,
            "max_log_strain_component": 0.02,
            "step_scale": 0.400438697787459,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0750449484484745,
              1.0327428376940464,
              1.0075431964322648
            ],
            "cell_volume_ratio": 1.1186197666113216,
            "cell_rmsd_from_input_A": 0.5084838343591224
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.03138262619416407,
              -0.013926917395901533,
              0.34002784427491384
            ],
            "branch_aligned_reduced_polarization": [
              -0.03138262619416407,
              -0.013926917395901533,
              0.34002784427491384
            ],
            "target_residual": 0.1636151547452928,
            "energy_eV": -23.58985236091273,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.019267482509255408,
            "step_scale": 0.41972034449190787,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.6089768968387197,
            "cell_principal_stretches": [
              1.064804961238595,
              1.0338178819936683,
              1.025723674119168
            ],
            "cell_volume_ratio": 1.1291314009064888,
            "cell_rmsd_from_input_A": 0.42208168626736403
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.01659647154182282,
              0.006789164207622077,
              0.34761288619628017
            ],
            "branch_aligned_reduced_polarization": [
              -0.01659647154182282,
              0.006789164207622077,
              0.34761288619628017
            ],
            "target_residual": 0.1534384830207352,
            "energy_eV": -22.62998233939434
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.5
        ],
        "formal_class": [
          0.0,
          0.0,
          0.5
        ],
        "target_residual": 0.1534384830207352,
        "parent_symmetrization_rmsd_A": 0.4126685825540823,
        "parent_cell_rmsd_A": 0.42208168626736403,
        "energy_eV": -22.62998233939434,
        "reduced_polarization": [
          -0.01659647154182282,
          0.006789164207622077,
          0.34761288619628017
        ],
        "cartesian_polarization_e_A2": [
          0.005508559139092101,
          0.0033750434757686717,
          0.012956159072594328
        ],
        "ranking_score": 1.3250659701623937
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 2,
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572724,
              -0.0554962097995681,
              0.09159986968064132
            ],
            "target_residual": 0.4542025946587629,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.009677355517877557,
            "step_scale": 0.4119855087862748,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0107732191487977,
              0.9993093618537348,
              0.9885782520938152
            ],
            "cell_volume_ratio": 0.99853831698412,
            "cell_rmsd_from_input_A": 0.0743039194598025
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.0012850120250338366,
              -0.2089179079086923,
              0.0375104849014563
            ],
            "branch_aligned_reduced_polarization": [
              -0.0012850120250338366,
              -0.2089179079086923,
              0.0375104849014563
            ],
            "target_residual": 0.2934918603125126,
            "energy_eV": -26.611668003201345,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01129321568954365,
            "step_scale": 0.43852473896261435,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0255416257965413,
              1.0000541757026367,
              0.9775079565942025
            ],
            "cell_volume_ratio": 1.0025294088275394,
            "cell_rmsd_from_input_A": 0.1496415589603997
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.0023448366549906037,
              -0.2982360332338133,
              0.007481511407935378
            ],
            "branch_aligned_reduced_polarization": [
              0.0023448366549906037,
              -0.2982360332338133,
              0.007481511407935378
            ],
            "target_residual": 0.20191624391591811,
            "energy_eV": -22.110650497616508,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01898131545559361,
            "step_scale": 0.5175970215036422,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0515030218101138,
              1.0018770505184607,
              0.9599345866263062
            ],
            "cell_volume_ratio": 1.0112687647902006,
            "cell_rmsd_from_input_A": 0.27187882693318144
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.04132062177159134,
              -0.35931503144614974,
              -0.025643457957611977
            ],
            "branch_aligned_reduced_polarization": [
              0.04132062177159134,
              -0.35931503144614974,
              -0.025643457957611977
            ],
            "target_residual": 0.1488530856133408,
            "energy_eV": -14.852425254156213,
            "max_atomic_step_A": 0.10845024629880036,
            "max_log_strain_component": 0.02,
            "step_scale": 0.7784531262724234,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.089140365449537,
              1.0043161795411362,
              0.9414357234015724
            ],
            "cell_volume_ratio": 1.0297812669024022,
            "cell_rmsd_from_input_A": 0.4367293273220669
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.02477472843537922,
              -0.46253968553488906,
              -0.03704020266563117
            ],
            "branch_aligned_reduced_polarization": [
              0.02477472843537922,
              -0.46253968553488906,
              -0.03704020266563117
            ],
            "target_residual": 0.058215452780020695,
            "energy_eV": -5.101840170621825,
            "max_atomic_step_A": 0.038930330436757234,
            "max_log_strain_component": 0.004665320085800742,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 4.483039970662978,
            "cell_principal_stretches": [
              1.0846719475329276,
              1.0089469183620954,
              0.9421631329979381
            ],
            "cell_volume_ratio": 1.0310811155072122,
            "cell_rmsd_from_input_A": 0.42870988967631707
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.004914474809976376,
              -0.49640488690196266,
              0.0009691767763434844
            ],
            "branch_aligned_reduced_polarization": [
              -0.004914474809976376,
              -0.49640488690196266,
              0.0009691767763434844
            ],
            "target_residual": 0.0061657282189029,
            "energy_eV": -3.280654816795547
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_02",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.0,
          0.5,
          0.0
        ],
        "target_residual": 0.0061657282189029,
        "parent_symmetrization_rmsd_A": 0.3373989554676947,
        "parent_cell_rmsd_A": 0.42870988967631707,
        "energy_eV": -3.280654816795547,
        "reduced_polarization": [
          -0.004914474809976376,
          -0.49640488690196266,
          0.0009691767763434844
        ],
        "cartesian_polarization_e_A2": [
          -0.00898568362855834,
          -0.015298327368208802,
          0.001286475420683404
        ],
        "ranking_score": 0.9569078843245797
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 3,
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572714,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "target_residual": 0.49370550957706344,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.010495141814624747,
            "step_scale": 0.40184641862550674,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0086019438264988,
              0.9985981504533619,
              0.9874620787467661
            ],
            "cell_volume_ratio": 0.9945599913706425,
            "cell_rmsd_from_input_A": 0.07738170927027474
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.18762198514671843,
              -0.03589608796250746,
              0.04324148575371788
            ],
            "branch_aligned_reduced_polarization": [
              -0.18762198514671846,
              -0.03589608796250746,
              0.04324148575371788
            ],
            "target_residual": 0.3173930991450161,
            "energy_eV": -26.635832475296176,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.013491951919907624,
            "step_scale": 0.5788236404429027,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0212099989975936,
              0.9980141547556715,
              0.9729617715193588
            ],
            "cell_volume_ratio": 0.991625157279571,
            "cell_rmsd_from_input_A": 0.16557086679463245
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.32585073254914315,
              -0.01356678507919027,
              -0.01198980391773527
            ],
            "branch_aligned_reduced_polarization": [
              -0.32585073254914315,
              -0.01356678507919027,
              -0.01198980391773527
            ],
            "target_residual": 0.17508792193935238,
            "energy_eV": -20.72578761782915,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.018088752341571045,
            "step_scale": 0.8254720371343013,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0423055238566725,
              1.000104404880871,
              0.9574365755770636
            ],
            "cell_volume_ratio": 0.9980456214226581,
            "cell_rmsd_from_input_A": 0.26336931319731804
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.4132381787117144,
              0.0020693540063050357,
              -0.03648064915097163
            ],
            "branch_aligned_reduced_polarization": [
              -0.4132381787117144,
              0.0020693540063050357,
              -0.03648064915097163
            ],
            "target_residual": 0.09414209272020728,
            "energy_eV": -15.431766459984576,
            "max_atomic_step_A": 0.061139935636920634,
            "max_log_strain_component": 0.02,
            "step_scale": 0.7447990171342701,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0681734067594233,
              1.0039189787799965,
              0.9422134574796719
            ],
            "cell_volume_ratio": 1.0103916046128416,
            "cell_rmsd_from_input_A": 0.3641221063726655
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.4572541009808444,
              0.009080986295121139,
              -0.033813379473079275
            ],
            "branch_aligned_reduced_polarization": [
              -0.4572541009808444,
              0.009080986295121139,
              -0.033813379473079275
            ],
            "target_residual": 0.05525414759489539,
            "energy_eV": -10.369937372916805,
            "max_atomic_step_A": 0.05498069370938872,
            "max_log_strain_component": 0.0066031192573629775,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 3.4190913735237047,
            "cell_principal_stretches": [
              1.061520357359295,
              1.003590200269691,
              0.9438927882835106
            ],
            "cell_volume_ratio": 1.0055586520517155,
            "cell_rmsd_from_input_A": 0.34725654752881496
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.5009645461767588,
              0.001460108677548785,
              -0.002525286596666706
            ],
            "branch_aligned_reduced_polarization": [
              -0.5009645461767588,
              0.001460108677548785,
              -0.002525286596666706
            ],
            "target_residual": 0.0030723507405011176,
            "energy_eV": -9.332655242656646
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_03",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          -0.5,
          0.0,
          0.0
        ],
        "formal_class": [
          0.5,
          0.0,
          0.0
        ],
        "target_residual": 0.0030723507405011176,
        "parent_symmetrization_rmsd_A": 0.34984661178030574,
        "parent_cell_rmsd_A": 0.34725654752881496,
        "energy_eV": -9.332655242656646,
        "reduced_polarization": [
          -0.5009645461767588,
          0.001460108677548785,
          -0.002525286596666706
        ],
        "cartesian_polarization_e_A2": [
          -0.01796838420162465,
          -0.0001023458009656808,
          0.0009503170068097285
        ],
        "ranking_score": 0.9428054501435117
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572724,
              -0.0554962097995681,
              0.09159986968064132
            ],
            "target_residual": 0.6039040712845967,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00845910461361115,
            "step_scale": 0.28218304918519344,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0102249600546918,
              1.0050614891490066,
              1.0029759257943287
            ],
            "cell_volume_ratio": 1.0183597738755301,
            "cell_rmsd_from_input_A": 0.04377733109633443
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.015622673769750108,
              -0.1702018053470378,
              0.20144804707191605
            ],
            "branch_aligned_reduced_polarization": [
              -0.015622673769750108,
              -0.17020180534703777,
              0.20144804707191605
            ],
            "target_residual": 0.4451338964056119,
            "energy_eV": -27.388327666989937,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.009808487859935254,
            "step_scale": 0.34736477042230557,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0216653798253088,
              1.0109257729320735,
              1.006977934008254
            ],
            "cell_volume_ratio": 1.0400348684531695,
            "cell_rmsd_from_input_A": 0.096042211509861
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.013209094241324083,
              -0.25216617396148616,
              0.27858468717839696
            ],
            "branch_aligned_reduced_polarization": [
              -0.013209094241324083,
              -0.25216617396148616,
              0.27858468717839696
            ],
            "target_residual": 0.3325970929690349,
            "energy_eV": -25.785524709143342,
            "max_atomic_step_A": 0.0975712976282339,
            "max_log_strain_component": 0.02,
            "step_scale": 0.33752511365250143,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.044795297913526,
              1.0229471049544867,
              1.0157735546006852
            ],
            "cell_volume_ratio": 1.0856286323519515,
            "cell_rmsd_from_input_A": 0.2062508899114211
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.01613146705421344,
              -0.30615461485351536,
              0.33841720174685036
            ],
            "branch_aligned_reduced_polarization": [
              -0.01613146705421344,
              -0.30615461485351536,
              0.33841720174685036
            ],
            "target_residual": 0.2528739968111158,
            "energy_eV": -24.3530360635673,
            "max_atomic_step_A": 0.08805027312054549,
            "max_log_strain_component": 0.02,
            "step_scale": 0.37421047887996867,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0658193533516456,
              1.0349165720050024,
              1.027183703469459
            ],
            "cell_volume_ratio": 1.1330186637522721,
            "cell_rmsd_from_input_A": 0.32510623685915974
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.01455883599457684,
              -0.3458522939808714,
              0.3749704981512855
            ],
            "branch_aligned_reduced_polarization": [
              -0.01455883599457684,
              -0.3458522939808714,
              0.3749704981512855
            ],
            "target_residual": 0.19901218884534275,
            "energy_eV": -24.071483628365748,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.015253834186077014,
            "step_scale": 0.4456568521609089,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.0540965885966065,
            "cell_principal_stretches": [
              1.0782502941284997,
              1.044457297594065,
              1.039884231619769
            ],
            "cell_volume_ratio": 1.1711034670948606,
            "cell_rmsd_from_input_A": 0.41341361449245273
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.021671156855829734,
              -0.3338202430786096,
              0.3771632049224359
            ],
            "branch_aligned_reduced_polarization": [
              -0.021671156855829734,
              -0.3338202430786096,
              0.3771632049224359
            ],
            "target_residual": 0.20778409196771988,
            "energy_eV": -22.45260974613275
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_04",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Cc",
        "spacegroup_number": 9,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          0.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 0.20778409196771988,
        "parent_symmetrization_rmsd_A": 0.49789705533521017,
        "parent_cell_rmsd_A": 0.41341361449245273,
        "energy_eV": -22.45260974613275,
        "reduced_polarization": [
          -0.021671156855829734,
          -0.3338202430786096,
          0.3771632049224359
        ],
        "cartesian_polarization_e_A2": [
          4.558627012303177e-09,
          -0.006157919718276153,
          0.013763194258136963
        ],
        "ranking_score": 1.5168186428937631
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 5,
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572714,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "target_residual": 0.6341492415087371,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.007304356164165958,
            "step_scale": 0.282261773405736,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0110148924712108,
              1.004504274872912,
              0.9999201254520288
            ],
            "cell_volume_ratio": 1.0154876633501566,
            "cell_rmsd_from_input_A": 0.04128473998463692
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.15340435216681622,
              -0.030006386918777068,
              0.19390014265035468
            ],
            "branch_aligned_reduced_polarization": [
              -0.15340435216681625,
              -0.030006386918777068,
              0.1939001426503547
            ],
            "target_residual": 0.46338542167648833,
            "energy_eV": -27.32121024514317,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.009316497946788892,
            "step_scale": 0.33887096209183704,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0241953887051674,
              1.0101701941392913,
              1.0009804508120081
            ],
            "cell_volume_ratio": 1.0356260404817754,
            "cell_rmsd_from_input_A": 0.09493817173913624
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.24520252785597174,
              -0.011233334250136178,
              0.2744304404043152
            ],
            "branch_aligned_reduced_polarization": [
              -0.24520252785597174,
              -0.011233334250136178,
              0.2744304404043152
            ],
            "target_residual": 0.3404843106892788,
            "energy_eV": -25.538619060081302,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016486944167592818,
            "step_scale": 0.3514005497150904,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0476266413924558,
              1.0204173154043297,
              1.0030911872192187
            ],
            "cell_volume_ratio": 1.0723208946802312,
            "cell_rmsd_from_input_A": 0.18658799954129446
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.2913672083305885,
              -0.0060395460149969635,
              0.31992266059086727
            ],
            "branch_aligned_reduced_polarization": [
              -0.2913672083305885,
              -0.0060395460149969635,
              0.31992266059086727
            ],
            "target_residual": 0.2756664035469526,
            "energy_eV": -23.601434710238212,
            "max_atomic_step_A": 0.10231881943937823,
            "max_log_strain_component": 0.02,
            "step_scale": 0.40043774275106875,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.075045008545283,
              1.0327426087399445,
              1.0075432327757168
            ],
            "cell_volume_ratio": 1.118619621501548,
            "cell_rmsd_from_input_A": 0.30463499001397953
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.29471806767441017,
              -0.01392707353027558,
              0.34002753806882957
            ],
            "branch_aligned_reduced_polarization": [
              -0.29471806767441017,
              -0.01392707353027558,
              0.34002753806882957
            ],
            "target_residual": 0.26062583082412516,
            "energy_eV": -23.589856385598406,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.019267737865810576,
            "step_scale": 0.4197238181325742,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.5961051625858107,
            "cell_principal_stretches": [
              1.0648046959325952,
              1.0338178818152948,
              1.025723783629589
            ],
            "cell_volume_ratio": 1.1291312399287632,
            "cell_rmsd_from_input_A": 0.3034293628285771
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.33780529331972065,
              0.006788950411406871,
              0.3476123696295928
            ],
            "branch_aligned_reduced_polarization": [
              -0.33780529331972065,
              0.006788950411406871,
              0.3476123696295928
            ],
            "target_residual": 0.22265489577527428,
            "energy_eV": -22.630008846553984
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_05",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          -0.5,
          0.0,
          0.5
        ],
        "formal_class": [
          0.5,
          0.0,
          0.5
        ],
        "target_residual": 0.22265489577527428,
        "parent_symmetrization_rmsd_A": 0.4126682500513742,
        "parent_cell_rmsd_A": 0.3034293628285771,
        "energy_eV": -22.630008846553984,
        "reduced_polarization": [
          -0.33780529331972065,
          0.006788950411406871,
          0.3476123696295928
        ],
        "cartesian_polarization_e_A2": [
          -0.005508560439381349,
          0.0033750328789687433,
          0.012956138862611865
        ],
        "ranking_score": 1.433835382309067
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 6,
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572714,
              -0.0554962097995681,
              0.09159986968064132
            ],
            "target_residual": 0.6620037162940854,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.009606802381048824,
            "step_scale": 0.24522249188295347,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0115142519040283,
              0.9987043943301032,
              0.9890378551548988
            ],
            "cell_volume_ratio": 0.9991297287113494,
            "cell_rmsd_from_input_A": 0.08191329743398128
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.11435544884380988,
              -0.15055168649899314,
              0.055898015512416584
            ],
            "branch_aligned_reduced_polarization": [
              -0.11435544884380988,
              -0.15055168649899314,
              0.055898015512416584
            ],
            "target_residual": 0.5234122961713679,
            "energy_eV": -26.6848146130734,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.010768706567181076,
            "step_scale": 0.22876708121104541,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0261351821228244,
              0.9981879295265971,
              0.9780534693222538
            ],
            "cell_volume_ratio": 1.001796453625019,
            "cell_rmsd_from_input_A": 0.16748148429849946
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.17780399370953506,
              -0.20478281383776872,
              0.018924303597262458
            ],
            "branch_aligned_reduced_polarization": [
              -0.17780399370953504,
              -0.20478281383776875,
              0.018924303597262458
            ],
            "target_residual": 0.4374032267161643,
            "energy_eV": -22.390942287797685,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01614948311643094,
            "step_scale": 0.20608711745500916,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0524428243316297,
              0.9989544347812696,
              0.9627111271522939
            ],
            "cell_volume_ratio": 1.012139052650452,
            "cell_rmsd_from_input_A": 0.2949993043391603
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.1868641448065074,
              -0.21746091206574458,
              -0.01992552044057281
            ],
            "branch_aligned_reduced_polarization": [
              -0.18686414480650737,
              -0.21746091206574458,
              -0.01992552044057281
            ],
            "target_residual": 0.4222314843581759,
            "energy_eV": -16.58792740424011,
            "max_atomic_step_A": 0.09630468744233499,
            "max_log_strain_component": 0.02,
            "step_scale": 0.19747790581570962,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0868858889951518,
              0.9998688997149882,
              0.9430542958517134
            ],
            "cell_volume_ratio": 1.0248580299208305,
            "cell_rmsd_from_input_A": 0.45899939482685975
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.18916934225469673,
              -0.23485869078008,
              -0.03975800724886955
            ],
            "branch_aligned_reduced_polarization": [
              -0.18916934225469673,
              -0.23485869078008004,
              -0.03975800724886955
            ],
            "target_residual": 0.4104830213171213,
            "energy_eV": -11.751938809744665,
            "max_atomic_step_A": 0.09756133053811854,
            "max_log_strain_component": 0.02,
            "step_scale": 0.23224931980852134,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 2.5158876239364574,
            "cell_principal_stretches": [
              1.052750271512482,
              1.0031832802002867,
              0.9331895216476904
            ],
            "cell_volume_ratio": 0.9855428261677602,
            "cell_rmsd_from_input_A": 0.4851960136696871
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.24001075470271072,
              -0.38344206139733394,
              -0.08614012404817721
            ],
            "branch_aligned_reduced_polarization": [
              -0.24001075470271072,
              -0.38344206139733394,
              -0.08614012404817721
            ],
            "target_residual": 0.2976579945047542,
            "energy_eV": 2.1211725862701396
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_06",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          -0.5,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.5,
          0.5,
          0.0
        ],
        "target_residual": 0.2976579945047542,
        "parent_symmetrization_rmsd_A": 0.35717947415223533,
        "parent_cell_rmsd_A": 0.4851960136696871,
        "energy_eV": 2.1211725862701396,
        "reduced_polarization": [
          -0.24001075470271072,
          -0.38344206139733394,
          -0.08614012404817721
        ],
        "cartesian_polarization_e_A2": [
          -0.016959209107528232,
          -0.012717392592344442,
          -0.0021843118184202816
        ],
        "ranking_score": 1.5737944665791654
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 7,
      "formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -0.018051076607572724,
              -0.05549620979956812,
              0.09159986968064132
            ],
            "branch_aligned_reduced_polarization": [
              -0.018051076607572714,
              -0.0554962097995681,
              0.09159986968064132
            ],
            "target_residual": 0.7724306122277512,
            "energy_eV": -28.24882785841505,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.006652522833007601,
            "step_scale": 0.22191831199728343,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0120014373314492,
              1.0032336522446321,
              0.999149747747209
            ],
            "cell_volume_ratio": 1.0144106591318292,
            "cell_rmsd_from_input_A": 0.034504372659210664
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.11930226984932865,
              -0.1466441408357696,
              0.17752010773516474
            ],
            "branch_aligned_reduced_polarization": [
              -0.11930226984932868,
              -0.1466441408357696,
              0.17752010773516474
            ],
            "target_residual": 0.6113791015913976,
            "energy_eV": -27.464878576280853,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00693162149003007,
            "step_scale": 0.2296259555205857,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0251830188454119,
              1.006590607091893,
              0.9977814522911381
            ],
            "cell_volume_ratio": 1.029650190090585,
            "cell_rmsd_from_input_A": 0.07337181780380192
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.18193328840913608,
              -0.20645549697420046,
              0.2335809474928578
            ],
            "branch_aligned_reduced_polarization": [
              -0.18193328840913608,
              -0.20645549697420046,
              0.2335809474928578
            ],
            "target_residual": 0.5082459245460733,
            "energy_eV": -26.140896216430587,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.013052876184275187,
            "step_scale": 0.2010889721447742,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0516276228165553,
              1.0127322709608757,
              0.9942405347935437
            ],
            "cell_volume_ratio": 1.0588833009759338,
            "cell_rmsd_from_input_A": 0.15433219940394402
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.21238384269321772,
              -0.2342258086917066,
              0.2655055461523561
            ],
            "branch_aligned_reduced_polarization": [
              -0.21238384269321775,
              -0.23422580869170662,
              0.2655055461523561
            ],
            "target_residual": 0.45645002310746113,
            "energy_eV": -24.468229886342932,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.014609848113548273,
            "step_scale": 0.22724182386440592,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.345053847499841,
            "cell_principal_stretches": [
              1.0821966469092372,
              1.0177875717141278,
              0.9868515659214164
            ],
            "cell_volume_ratio": 1.0869640033427892,
            "cell_rmsd_from_input_A": 0.2585784473994143
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.22458966520898943,
              -0.24523829950873027,
              0.2805720649449219
            ],
            "branch_aligned_reduced_polarization": [
              -0.22458966520898943,
              -0.24523829950873027,
              0.2805720649449219
            ],
            "target_residual": 0.4346297219811774,
            "energy_eV": -24.202993706641912,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.018063136383377452,
            "step_scale": 0.21757629527341804,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.6410083395777486,
            "cell_principal_stretches": [
              1.0654028059303147,
              1.0226190053650235,
              1.0028888540590437
            ],
            "cell_volume_ratio": 1.0926485675553568,
            "cell_rmsd_from_input_A": 0.18607480260741413
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.25032529059522934,
              -0.2721244299653967,
              0.29867487774305057
            ],
            "branch_aligned_reduced_polarization": [
              -0.25032529059522934,
              -0.2721244299653967,
              0.29867487774305057
            ],
            "target_residual": 0.39344191539124007,
            "energy_eV": -23.229871122694732
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_07",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          -0.5,
          -0.5,
          0.5
        ],
        "formal_class": [
          0.5,
          0.5,
          0.5
        ],
        "target_residual": 0.39344191539124007,
        "parent_symmetrization_rmsd_A": 0.4235309936467412,
        "parent_cell_rmsd_A": 0.18607480260741413,
        "energy_eV": -23.229871122694732,
        "reduced_polarization": [
          -0.25032529059522934,
          -0.2721244299653967,
          0.29867487774305057
        ],
        "cartesian_polarization_e_A2": [
          -0.008307131414881935,
          -0.005232568857176859,
          0.011577504948434802
        ],
        "ranking_score": 1.756933525081075
      },
      "branch_status": "awaiting_branch_sampling"
    }
  ],
  "sampled_polarization_branches": [
    {
      "orbit_id": 0,
      "candidate_id": "bec_projection_00",
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "construction": "MACEField-BEC-parent plus variable-cell P-N-P path and symmetric log-strain continuation beyond both polar endpoints",
      "geometry_diagnostics": {
        "collision_aware": false,
        "permutations_tested": 1,
        "selected_order": [
          0,
          1,
          2,
          3,
          4,
          5,
          6,
          7
        ],
        "endpoint_rmsd_A": 0.09859281111895964,
        "minimum_distance_A_by_image": [
          1.629311516549462,
          1.6193146665104137,
          1.6094262897909524,
          1.599647683569511,
          1.5899801519227623,
          1.5804250097611523,
          1.5709835822214542,
          1.5616572040148062,
          1.5524472187124456
        ],
        "minimum_distance_A": 1.5524472187124456,
        "minimum_distance_floor_A": 0.0,
        "geometry_valid": true,
        "parameters": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "cell_mode": "variable_cell",
        "cell_volume_A3_by_image": [
          148.96546469010042,
          148.72059774803694,
          148.47613331416193,
          148.232070726839,
          147.9884093255195,
          147.7451484507405,
          147.50228744412323,
          147.25982564837125,
          147.01776240726826
        ],
        "cell_deformation_log_strain_norm": 0.00791465701545772
      },
      "parent_reduced_polarization": [
        -1.91135185958556e-05,
        -1.7217306305228558e-05,
        5.5445423097613146e-05
      ],
      "incoming": {
        "reached": true,
        "construction": "variable_cell_linear_interpolation",
        "continuation_fractions": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "energies_eV": [
          -28.24882785841505,
          -28.25737439499513,
          -28.252106712307235,
          -28.23265459239052,
          -28.19865249398034,
          -28.14973887999344,
          -28.085556421729528,
          -28.00575307519052,
          -27.909984044771154
        ],
        "cartesian_polarizations_e_A2": [
          [
            2.7214706992369337e-08,
            -0.0008256186397527916,
            0.0036277894352083322
          ],
          [
            2.3729340419074556e-08,
            -0.000728208347741795,
            0.0031864969472316135
          ],
          [
            2.0247682697330324e-08,
            -0.0006284054462979763,
            0.0027413197640412928
          ],
          [
            1.67798047971225e-08,
            -0.0005265424961515018,
            0.0022925004317616957
          ],
          [
            1.333573846644846e-08,
            -0.00042298511108225235,
            0.0018402746731333085
          ],
          [
            9.925985650066555e-09,
            -0.0003181274736540674,
            0.0013848810187709764
          ],
          [
            6.561844749917013e-09,
            -0.00021238638776281002,
            0.0009265662251287442
          ],
          [
            3.255467327203853e-09,
            -0.0001061931229208193,
            0.0004655873120178796
          ],
          [
            1.9600853777087783e-11,
            1.674793020788362e-08,
            2.2113133229084777e-06
          ]
        ],
        "raw_reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.91135185958556e-05,
            -1.7217306305228558e-05,
            5.5445423097613146e-05
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.9113518595855784e-05,
            -1.7217306305228504e-05,
            5.544542309761369e-05
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -0.01805107660757338,
            -0.055496209799568486,
            0.09159986968064138
          ],
          [
            -0.01579612127906227,
            -0.048794194188013396,
            0.08038774978168406
          ],
          [
            -0.013549006606584535,
            -0.04199794183404504,
            0.06909707486793737
          ],
          [
            -0.011306500013541332,
            -0.03512025207085745,
            0.057734179670934305
          ],
          [
            -0.009064806828896488,
            -0.02817485616238047,
            0.04630520665957927
          ],
          [
            -0.006819726781791213,
            -0.021176347314998623,
            0.0348163490691622
          ],
          [
            -0.004566796575281085,
            -0.014140031413863607,
            0.023273986802947344
          ],
          [
            -0.0023014374128247916,
            -0.007081682280864088,
            0.011684736745995128
          ],
          [
            -1.9113518595847978e-05,
            -1.7217306305217228e-05,
            5.544542309765532e-05
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -27.90998404477115,
          -27.82015940951315,
          -27.718781553780175,
          -27.605667683042338,
          -27.48064342583869,
          -27.34354627024002,
          -27.194230002018298,
          -27.03257030114982,
          -26.858471677677237
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.960085396587841e-11,
            1.6747930214680083e-08,
            2.211313322902295e-06
          ],
          [
            -2.5817237309615444e-09,
            9.02412291310297e-05,
            -0.00037874952452930855
          ],
          [
            -5.08896513869352e-09,
            0.00018067360405907835,
            -0.0007564065023208715
          ],
          [
            -7.494945614250619e-09,
            0.00027121166759176474,
            -0.001130442163389499
          ],
          [
            -9.793214292956186e-09,
            0.0003617804094930798,
            -0.0015005798634481892
          ],
          [
            -1.1978342187148199e-08,
            0.000452352608770889,
            -0.0018665601936157712
          ],
          [
            -1.4046398890927773e-08,
            0.0005429709312016508,
            -0.0022281130038274426
          ],
          [
            -1.5995301684518366e-08,
            0.0006337667268720542,
            -0.0025849288339257815
          ],
          [
            -1.782520823426522e-08,
            0.0007249708937279454,
            -0.0029366312626621584
          ]
        ],
        "raw_reduced_polarization": [
          [
            -1.9113518595904543e-05,
            -1.7217306304965256e-05,
            5.544542309745808e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.9113518595904543e-05,
            -1.7217306304965256e-05,
            5.544542309745808e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          0.018012562016467497,
          0.05546157204021797,
          -0.09148820056873777
        ],
        "actual_opposite_endpoint_branch_residual": 0.019888187691221613
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.91135185958556e-05,
            -1.7217306305228558e-05,
            5.5445423097613146e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -0.018051076607573373,
            -0.055496209799568465,
            0.09159986968064138
          ],
          [
            -0.015796121279062252,
            -0.048794194188013416,
            0.08038774978168402
          ],
          [
            -0.013549006606584542,
            -0.04199794183404502,
            0.06909707486793741
          ],
          [
            -0.01130650001354132,
            -0.03512025207085748,
            0.05773417967093428
          ],
          [
            -0.0090648068288965,
            -0.028174856162380486,
            0.0463052066595793
          ],
          [
            -0.00681972678179119,
            -0.02117634731499862,
            0.034816349069162235
          ],
          [
            -0.004566796575281073,
            -0.014140031413863606,
            0.02327398680294738
          ],
          [
            -0.002301437412824797,
            -0.007081682280864105,
            0.011684736745995105
          ],
          [
            -1.9113518595855784e-05,
            -1.7217306305228504e-05,
            5.544542309761369e-05
          ],
          [
            0.0018115349182591387,
            0.00588219808547348,
            -0.00950541040330152
          ],
          [
            0.0036132506987924663,
            0.011773076173242828,
            -0.018999858565523928
          ],
          [
            0.005384843674646817,
            0.017649619923652278,
            -0.028419721322022397
          ],
          [
            0.007125040997326317,
            0.02350719670159869,
            -0.037757819967752154
          ],
          [
            0.008831958455850171,
            0.029342806201338646,
            -0.04700738545702192
          ],
          [
            0.010502506745207765,
            0.03515556441157079,
            -0.05616135493210357
          ],
          [
            0.01213184102299077,
            0.04094708226400653,
            -0.06521164950485829
          ],
          [
            0.013712940682643417,
            0.04672160314660166,
            -0.07414847133885638
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -0.01805107660757338,
            -0.055496209799568486,
            0.09159986968064138
          ],
          [
            -0.01579612127906227,
            -0.048794194188013396,
            0.08038774978168406
          ],
          [
            -0.013549006606584535,
            -0.04199794183404504,
            0.06909707486793737
          ],
          [
            -0.011306500013541332,
            -0.03512025207085745,
            0.057734179670934305
          ],
          [
            -0.009064806828896488,
            -0.02817485616238047,
            0.04630520665957927
          ],
          [
            -0.006819726781791213,
            -0.021176347314998623,
            0.0348163490691622
          ],
          [
            -0.004566796575281085,
            -0.014140031413863607,
            0.023273986802947344
          ],
          [
            -0.0023014374128247916,
            -0.007081682280864088,
            0.011684736745995128
          ],
          [
            -1.9113518595847978e-05,
            -1.7217306305217228e-05,
            5.544542309765532e-05
          ],
          [
            0.001811534918259139,
            0.005882198085473522,
            -0.009505410403301495
          ],
          [
            0.0036132506987924806,
            0.011773076173242858,
            -0.01899985856552394
          ],
          [
            0.005384843674646866,
            0.017649619923652327,
            -0.028419721322022418
          ],
          [
            0.0071250409973263595,
            0.02350719670159873,
            -0.03775781996775218
          ],
          [
            0.008831958455850164,
            0.029342806201338667,
            -0.04700738545702193
          ],
          [
            0.010502506745207807,
            0.03515556441157075,
            -0.05616135493210356
          ],
          [
            0.012131841022990808,
            0.04094708226400656,
            -0.0652116495048583
          ],
          [
            0.013712940682643393,
            0.046721603146601676,
            -0.07414847133885638
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ],
      "positive_extension_structure_ids": [
        "extension_plus_00_000",
        "extension_plus_00_001",
        "extension_plus_00_002",
        "extension_plus_00_003"
      ],
      "negative_extension_structure_ids": [
        "extension_minus_00_000",
        "extension_minus_00_001",
        "extension_minus_00_002",
        "extension_minus_00_003"
      ],
      "extension": {
        "enabled": true,
        "fraction_beyond_polar_endpoint": 0.35,
        "images_per_side": 4,
        "construction": "continue fractional atomic displacements and symmetric log strain beyond +P; reflect these structures about N for the -P side",
        "positive_path_coordinates": [
          1.35,
          1.2625,
          1.175,
          1.0875
        ],
        "negative_path_coordinates": [
          -1.0875,
          -1.175,
          -1.2625,
          -1.35
        ]
      },
      "branch_coordinates": [
        1.35,
        1.2625,
        1.175,
        1.0875,
        1.0,
        0.875,
        0.75,
        0.625,
        0.5,
        0.375,
        0.25,
        0.125,
        0.0,
        -0.125,
        -0.25,
        -0.375,
        -0.5,
        -0.625,
        -0.75,
        -0.875,
        -1.0,
        -1.0875,
        -1.175,
        -1.2625,
        -1.35
      ],
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Cc",
        "spacegroup_number": 9,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 6.112247681730138e-05,
        "parent_symmetrization_rmsd_A": 0.09859281111895964,
        "parent_cell_rmsd_A": 0.034927768280772445,
        "energy_eV": -27.909984044771132,
        "reduced_polarization": [
          -1.9113518597772972e-05,
          -1.721730630601376e-05,
          5.544542309928774e-05
        ],
        "cartesian_polarization_e_A2": [
          1.9600800066154262e-11,
          1.6747930199954415e-08,
          2.2113133229752625e-06
        ],
        "ranking_score": 0.6074469981427874
      }
    }
  ],
  "path_sampling": {
    "num_images": 17,
    "images_per_leg_including_parent": 9,
    "extension_fraction_beyond_polar_endpoint": 0.35,
    "extension_images_per_side": 4,
    "total_images_per_sampled_branch": 25,
    "construction": "linear polar-to-parent interpolation plus parent-reflected second leg and symmetric log-strain continuation beyond both polar endpoints"
  },
  "branch_folding": "componentwise integer unwrap with per-image shifts, then reduced-coordinate fold [-0.5, 0.5)",
  "bec_backprojection_settings": {
    "variable_cell": true,
    "max_strain_step_log_component": 0.02,
    "strain_response_refresh_iterations": 4,
    "cell_principal_stretch_bounds": [
      0.85,
      1.15
    ],
    "cell_volume_ratio_bounds": [
      0.7,
      1.3
    ],
    "strain_jacobian": "branch-matched finite differences of reduced polarization in six symmetric log-strain coordinates at fixed fractional positions"
  },
  "model_input_contract": "one polar endpoint structure; no reference parent or path frame",
  "run": {
    "model_file": "MACEField-MH-0-omat-dielectric.model",
    "model_sha256": "f92e043aaf2cd8879919db8452503553fe7b608cb749d8d169dd96d4aa094aa2",
    "model_head": "mp-ferroelectric",
    "device": "cpu",
    "dtype": "float64",
    "num_images": 17,
    "compute_becs_for_every_image": true,
    "compute_polarizability_for_every_image": true,
    "initial_structure_relaxation": {
      "enabled": false
    },
    "model_evaluations_for_recovery": {
      "total": 157,
      "full_response": 38,
      "energy_polarization": 119
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 182,
      "full_response": 63,
      "energy_polarization": 119
    },
    "elapsed_seconds": 213.34498335100943
  }
}
