{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 26,
  "input_formula": "BaI6O18Ti",
  "input_spacegroup": "R3",
  "input_pointgroup": "3",
  "input_is_polar_point_group": true,
  "input_energy_eV": -127.06948829839911,
  "input_cartesian_polarization_e_A2": [
    0.00020234976089959536,
    0.00023190439140637753,
    0.0002716056732711447
  ],
  "input_reduced_polarization": [
    0.01582140244839026,
    0.015821409954227896,
    0.01582143127041086
  ],
  "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": "R-3",
      "spacegroup_number": 148,
      "pointgroup": "-3",
      "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": 4.035183699204111e-15,
      "parent_symmetrization_rmsd_A": 1.357512736628064,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -126.97315427712141,
      "reduced_polarization": [
        -1.090220920830309e-15,
        -3.784045756706952e-15,
        8.80411007004453e-16
      ],
      "cartesian_polarization_e_A2": [
        -1.2224533880675581e-17,
        -6.817162140729993e-17,
        1.5113969161562537e-17
      ],
      "ranking_score": 1.357512736628072
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "R3",
      "spacegroup_number": 146,
      "pointgroup": "3",
      "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": 4.96927666204274e-06,
      "parent_symmetrization_rmsd_A": 0.002718004332255399,
      "parent_cell_rmsd_A": 0.00013905593516003357,
      "energy_eV": -127.06535935123529,
      "reduced_polarization": [
        -2.8674848875399297e-06,
        -2.868052590169501e-06,
        -2.871500531721137e-06
      ],
      "cartesian_polarization_e_A2": [
        -3.6662083048213755e-08,
        -4.202822444085549e-08,
        -4.929342232897652e-08
      ],
      "ranking_score": 0.5027627068693695
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "R-3",
      "spacegroup_number": 148,
      "pointgroup": "-3",
      "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": 5.6775885355964036e-15,
      "parent_symmetrization_rmsd_A": 1.3575127403334923,
      "parent_cell_rmsd_A": 0.00013905593516003357,
      "energy_eV": -126.97317799751599,
      "reduced_polarization": [
        -4.66769126539854e-15,
        9.613349615203263e-16,
        3.0860176477487302e-15
      ],
      "cartesian_polarization_e_A2": [
        -9.150501709114412e-17,
        8.302762654175637e-18,
        5.297575330207285e-17
      ],
      "ranking_score": 1.3575475043172938
    },
    {
      "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": 0.0001359074728172406,
      "parent_symmetrization_rmsd_A": 0.06470115463320358,
      "parent_cell_rmsd_A": 0.006715190991037041,
      "energy_eV": -126.13306603805424,
      "reduced_polarization": [
        3.943271581160958e-06,
        2.0625967694398395e-05,
        0.49986572468122
      ],
      "cartesian_polarization_e_A2": [
        -0.0011897264886881443,
        -0.0013567603098217987,
        0.00858852218112835
      ],
      "ranking_score": 0.5666517673265974
    },
    {
      "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": 0.00013494832759765362,
      "parent_symmetrization_rmsd_A": 0.06470112451917934,
      "parent_cell_rmsd_A": 0.006738105403599378,
      "energy_eV": -126.13283308063673,
      "reduced_polarization": [
        2.2538562537247094e-05,
        0.49986698537044055,
        3.189458154817434e-06
      ],
      "cartesian_polarization_e_A2": [
        -0.0011829051996271143,
        0.00869569562787786,
        1.3536646475713252e-06
      ],
      "ranking_score": 0.5666555475252745
    },
    {
      "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": 0.00013719674323043755,
      "parent_symmetrization_rmsd_A": 0.06469922487051413,
      "parent_cell_rmsd_A": 0.007494634646662852,
      "energy_eV": -126.13343891319678,
      "reduced_polarization": [
        0.4998642989157218,
        2.4971640400077097e-06,
        2.0048098426564433e-05
      ],
      "cartesian_polarization_e_A2": [
        0.008776410877645921,
        2.077995469642331e-07,
        7.246718882666608e-06
      ],
      "ranking_score": 0.5668472770186407
    },
    {
      "candidate_id": "bec_projection_04",
      "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,
        0.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 0.0006214493020643383,
      "parent_symmetrization_rmsd_A": 0.08442178334400614,
      "parent_cell_rmsd_A": 0.008238410908907031,
      "energy_eV": -125.0578061304418,
      "reduced_polarization": [
        0.0001279016539981285,
        0.4997274452969154,
        0.4994563509075081
      ],
      "cartesian_polarization_e_A2": [
        -0.002381044805886054,
        0.0073371633472025,
        0.008588538676679662
      ],
      "ranking_score": 0.5877242846753615
    },
    {
      "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": 0.0006156683393268454,
      "parent_symmetrization_rmsd_A": 0.08442010187066937,
      "parent_cell_rmsd_A": 0.007568769014238796,
      "energy_eV": -125.05686625239721,
      "reduced_polarization": [
        0.4994622119763981,
        0.000132417320735101,
        0.49973111861557706
      ],
      "cartesian_polarization_e_A2": [
        0.007587304678595029,
        -0.00136488145350295,
        0.008591907384935156
      ],
      "ranking_score": 0.5875436308028827
    },
    {
      "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": 0.0006110685152688937,
      "parent_symmetrization_rmsd_A": 0.08441906180529123,
      "parent_cell_rmsd_A": 0.007583335198214847,
      "energy_eV": -125.05695880870041,
      "reduced_polarization": [
        0.4997350983033403,
        0.4994653499057584,
        0.00013183739297786498
      ],
      "cartesian_polarization_e_A2": [
        0.007591994912859713,
        0.008695325213012165,
        -2.4032889485487054e-07
      ],
      "ranking_score": 0.5875370326353827
    },
    {
      "candidate_id": "bec_projection_07",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "R3",
      "spacegroup_number": 146,
      "pointgroup": "3",
      "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": 6.471116041285021e-06,
      "parent_symmetrization_rmsd_A": 0.0910386241282343,
      "parent_cell_rmsd_A": 0.004803086705659644,
      "energy_eV": -123.9988262294811,
      "reduced_polarization": [
        0.4999962641716546,
        0.49999626718376516,
        0.49999626034595845
      ],
      "cartesian_polarization_e_A2": [
        0.00640132114222272,
        0.007336303101475941,
        0.008592291399574186
      ],
      "ranking_score": 0.5922523380367317
    }
  ],
  "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": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "target_residual": 0.027403493861513455,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.004290996559068451,
            "max_log_strain_component": 1.599930510740907e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0000177472352827,
              1.0000149781518923,
              1.0000148211524453
            ],
            "cell_volume_ratio": 1.000047547290473,
            "cell_rmsd_from_input_A": 0.00013905593516003357
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -2.8674848875399297e-06,
              -2.868052590169501e-06,
              -2.871500531721137e-06
            ],
            "branch_aligned_reduced_polarization": [
              -2.8674848875399297e-06,
              -2.868052590169501e-06,
              -2.871500531721137e-06
            ],
            "target_residual": 4.96927666204274e-06,
            "energy_eV": -127.06535935123529
          }
        ],
        "iterations": 1
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "R3",
        "spacegroup_number": 146,
        "pointgroup": "3",
        "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": 4.96927666204274e-06,
        "parent_symmetrization_rmsd_A": 0.002718004332255399,
        "parent_cell_rmsd_A": 0.00013905593516003357,
        "energy_eV": -127.06535935123529,
        "reduced_polarization": [
          -2.8674848875399297e-06,
          -2.868052590169501e-06,
          -2.871500531721137e-06
        ],
        "cartesian_polarization_e_A2": [
          -3.6662083048213755e-08,
          -4.202822444085549e-08,
          -4.929342232897652e-08
        ],
        "ranking_score": 0.5027627068693695
      },
      "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": [
          -127.06948829839912,
          -127.06925486341261,
          -127.0689406981118,
          -127.06854578568287,
          -127.06807010821014,
          -127.06751364667646,
          -127.06687638096314,
          -127.06615828987974,
          -127.06535935123524
        ],
        "cartesian_polarizations_e_A2": [
          [
            0.00020234976089960507,
            0.00023190439140636295,
            0.0002716056732711305
          ],
          [
            0.00017705500345830332,
            0.00020291514830267363,
            0.00023765355481840676
          ],
          [
            0.00015175889752199804,
            0.00017392436085800965,
            0.0002036996281940081
          ],
          [
            0.00012646161116210242,
            0.0001449322216956169,
            0.0001697441189938642
          ],
          [
            0.00010116331220474232,
            0.00011593892315770619,
            0.00013578725248347242
          ],
          [
            7.586416822821145e-05,
            8.694465730276273e-05,
            0.00010182925359680387
          ],
          [
            5.056434656176809e-05,
            5.794961590308293e-05,
            6.787034693272975e-05
          ],
          [
            2.526401424258143e-05,
            2.8953990397277704e-05,
            3.39107566987331e-05
          ],
          [
            -3.666208301077989e-08,
            -4.20282245467435e-08,
            -4.929342217897115e-08
          ]
        ],
        "raw_reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.8674848848620134e-06,
            -2.8680525948921297e-06,
            -2.871500522982823e-06
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.86748488486201e-06,
            -2.868052594892038e-06,
            -2.871500522982646e-06
          ]
        ],
        "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": [
          [
            0.015821402448390587,
            0.015821409954226873,
            0.015821431270410025
          ],
          [
            0.013843697237732822,
            0.013843703678336539,
            0.013843722054853402
          ],
          [
            0.011865871929398142,
            0.011865877320385576,
            0.011865892713107007
          ],
          [
            0.009887939663546175,
            0.009887944020726125,
            0.009887956385349228
          ],
          [
            0.00790991356134263,
            0.00790991690072107,
            0.007909926192706362
          ],
          [
            0.005931806724782551,
            0.005931809062578286,
            0.005931815237188887
          ],
          [
            0.0039536322365699705,
            0.00395363358917622,
            0.003953636601482846
          ],
          [
            0.001975403156779132,
            0.0019754035408170445,
            0.001975403345670479
          ],
          [
            -2.8674848848719847e-06,
            -2.868052594917625e-06,
            -2.871500522971804e-06
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -127.06535935123524,
          -127.06448808798736,
          -127.06353572724655,
          -127.06250223127684,
          -127.06138756124199,
          -127.06019167720522,
          -127.05891453813004,
          -127.0575561018801,
          -127.05611632522123
        ],
        "cartesian_polarizations_e_A2": [
          [
            -3.6662083050722044e-08,
            -4.2028224492846983e-08,
            -4.92934222331693e-08
          ],
          [
            -2.533077625574877e-05,
            -2.903047055287029e-05,
            -3.40003423069137e-05
          ],
          [
            -5.062508523018163e-05,
            -5.801913725400091e-05,
            -6.795165450584981e-05
          ],
          [
            -7.591942275100765e-05,
            -8.700783779462209e-05,
            -0.00010190300686379468
          ],
          [
            -0.00010121362282275659,
            -0.00011599638194021755,
            -0.00013585417657469335
          ],
          [
            -0.00012650751971135358,
            -0.00014498457975494663,
            -0.00016980494118227227
          ],
          [
            -0.00015180094794544786,
            -0.00017397224160449658,
            -0.00020375507858439655
          ],
          [
            -0.00017709374231824124,
            -0.00020295917815775914,
            -0.00023770436703292853
          ],
          [
            -0.00020238573788832086,
            -0.00023194520038787015,
            -0.000271652585136535
          ]
        ],
        "raw_reduced_polarization": [
          [
            -2.8674848872135116e-06,
            -2.8680525922860774e-06,
            -2.871500526140046e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -2.8674848872135116e-06,
            -2.8680525922860774e-06,
            -2.871500526140046e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -0.01582713724782934,
          -0.015827145888589543,
          -0.015827174099576267
        ],
        "actual_opposite_endpoint_branch_residual": 5.143127846755625e-06
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.8674848848620134e-06,
            -2.8680525948921297e-06,
            -2.871500522982823e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.86748488486201e-06,
            -2.868052594892038e-06,
            -2.871500522982646e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "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": [
          [
            0.015821402448390587,
            0.015821409954226873,
            0.015821431270410025
          ],
          [
            0.013843697237732822,
            0.013843703678336539,
            0.013843722054853402
          ],
          [
            0.011865871929398142,
            0.011865877320385576,
            0.011865892713107007
          ],
          [
            0.009887939663546175,
            0.009887944020726125,
            0.009887956385349228
          ],
          [
            0.00790991356134263,
            0.00790991690072107,
            0.007909926192706362
          ],
          [
            0.005931806724782551,
            0.005931809062578286,
            0.005931815237188887
          ],
          [
            0.0039536322365699705,
            0.00395363358917622,
            0.003953636601482846
          ],
          [
            0.001975403156779132,
            0.0019754035408170445,
            0.001975403345670479
          ],
          [
            -2.8674848848719847e-06,
            -2.868052594917625e-06,
            -2.871500522971804e-06
          ],
          [
            -0.001980622810435151,
            -0.001980621559570017,
            -0.0019806219761977495
          ],
          [
            -0.0039583787071186816,
            -0.003958375653755675,
            -0.003958372993896064
          ],
          [
            -0.005936122175430103,
            -0.005936117335875901,
            -0.005936111554166346
          ],
          [
            -0.007913840236384806,
            -0.007913833627226585,
            -0.007913824678089654
          ],
          [
            -0.009891519931612247,
            -0.00989151156967355,
            -0.009891499407316817
          ],
          [
            -0.011869148323493506,
            -0.011869138225856168,
            -0.011869122804321786
          ],
          [
            -0.013846712495276914,
            -0.013846700679282342,
            -0.013846681952393025
          ],
          [
            -0.015824199551158824,
            -0.0158241860344131,
            -0.01582416395579661
          ]
        ]
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.015821431270410857
            ],
            "target_residual": 0.48469528593272615,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.08019478136538433,
            "max_log_strain_component": 0.0005766752276386341,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0007578037145453,
              0.9998036725635833,
              0.9989860299480601
            ],
            "cell_volume_ratio": 0.9995467882792535,
            "cell_rmsd_from_input_A": 0.006291107781809291
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.0039369197451395435,
              0.004126660748809652,
              0.47717674265364224
            ],
            "branch_aligned_reduced_polarization": [
              0.0039369197451395435,
              0.004126660748809652,
              0.47717674265364224
            ],
            "target_residual": 0.02352508750065575,
            "energy_eV": -126.2374288814548,
            "max_atomic_step_A": 0.005392209220627739,
            "max_log_strain_component": 3.887722737080109e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0008138729907503,
              0.9997928804063629,
              0.9989210995062098
            ],
            "cell_volume_ratio": 0.9995270298896095,
            "cell_rmsd_from_input_A": 0.006715190991037041
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              3.943271581160958e-06,
              2.0625967694398395e-05,
              0.49986572468122
            ],
            "branch_aligned_reduced_polarization": [
              3.943271581160958e-06,
              2.0625967694398395e-05,
              0.49986572468122
            ],
            "target_residual": 0.0001359074728172406,
            "energy_eV": -126.13306603805424
          }
        ],
        "iterations": 2
      },
      "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": 0.0001359074728172406,
        "parent_symmetrization_rmsd_A": 0.06470115463320358,
        "parent_cell_rmsd_A": 0.006715190991037041,
        "energy_eV": -126.13306603805424,
        "reduced_polarization": [
          3.943271581160958e-06,
          2.0625967694398395e-05,
          0.49986572468122
        ],
        "cartesian_polarization_e_A2": [
          -0.0011897264886881443,
          -0.0013567603098217987,
          0.00858852218112835
        ],
        "ranking_score": 0.5666517673265974
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.01582140244839026,
              0.015821409954227872,
              0.01582143127041086
            ],
            "target_residual": 0.48469530792198734,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.08019510498271142,
            "max_log_strain_component": 0.0005296963695389286,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0006891404618745,
              0.9999202377453004,
              0.9989381068906626
            ],
            "cell_volume_ratio": 0.9995467830942908,
            "cell_rmsd_from_input_A": 0.0063154474184317555
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.004145230471518052,
              0.477194143197806,
              0.0038861951902035
            ],
            "branch_aligned_reduced_polarization": [
              0.004145230471518052,
              0.477194143197806,
              0.0038861951902035
            ],
            "target_residual": 0.02350303285111393,
            "energy_eV": -126.23717279522546,
            "max_atomic_step_A": 0.00538789230190942,
            "max_log_strain_component": 3.65918514249997e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.000740291355605,
              0.9999175056833597,
              0.9988700193693767
            ],
            "cell_volume_ratio": 0.999527012109607,
            "cell_rmsd_from_input_A": 0.006738105403599378
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              2.2538562537247094e-05,
              0.49986698537044055,
              3.189458154817434e-06
            ],
            "branch_aligned_reduced_polarization": [
              2.2538562537247094e-05,
              0.49986698537044055,
              3.189458154817434e-06
            ],
            "target_residual": 0.00013494832759765362,
            "energy_eV": -126.13283308063673
          }
        ],
        "iterations": 2
      },
      "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": 0.00013494832759765362,
        "parent_symmetrization_rmsd_A": 0.06470112451917934,
        "parent_cell_rmsd_A": 0.006738105403599378,
        "energy_eV": -126.13283308063673,
        "reduced_polarization": [
          2.2538562537247094e-05,
          0.49986698537044055,
          3.189458154817434e-06
        ],
        "cartesian_polarization_e_A2": [
          -0.0011829051996271143,
          0.00869569562787786,
          1.3536646475713252e-06
        ],
        "ranking_score": 0.5666555475252745
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.015821402448390254,
              0.015821409954227896,
              0.01582143127041086
            ],
            "target_residual": 0.4846953156648285,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.08019115034744616,
            "max_log_strain_component": 0.0007362070995681274,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0008341376842407,
              0.9998453214406968,
              0.9988682252669153
            ],
            "cell_volume_ratio": 0.9995467865199928,
            "cell_rmsd_from_input_A": 0.007022289421485585
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.4771373871417461,
              0.0038735067716357445,
              0.004068804446675431
            ],
            "branch_aligned_reduced_polarization": [
              0.4771373871417461,
              0.0038735067716357445,
              0.004068804446675431
            ],
            "target_residual": 0.023542690819903976,
            "energy_eV": -126.23792886407128,
            "max_atomic_step_A": 0.005390038202488866,
            "max_log_strain_component": 5.0581176073048024e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0008952326223368,
              0.9998374303196144,
              0.9987952080059046
            ],
            "cell_volume_ratio": 0.9995268428790705,
            "cell_rmsd_from_input_A": 0.007494634646662852
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4998642989157218,
              2.4971640400077097e-06,
              2.0048098426564433e-05
            ],
            "branch_aligned_reduced_polarization": [
              0.4998642989157218,
              2.4971640400077097e-06,
              2.0048098426564433e-05
            ],
            "target_residual": 0.00013719674323043755,
            "energy_eV": -126.13343891319678
          }
        ],
        "iterations": 2
      },
      "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": 0.00013719674323043755,
        "parent_symmetrization_rmsd_A": 0.06469922487051413,
        "parent_cell_rmsd_A": 0.007494634646662852,
        "energy_eV": -126.13343891319678,
        "reduced_polarization": [
          0.4998642989157218,
          2.4971640400077097e-06,
          2.0048098426564433e-05
        ],
        "cartesian_polarization_e_A2": [
          0.008776410877645921,
          2.077995469642331e-07,
          7.246718882666608e-06
        ],
        "ranking_score": 0.5668472770186407
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.01582140244839026,
              0.015821409954227872,
              0.015821431270410857
            ],
            "target_residual": 0.6849146737011693,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.11032877210945925,
            "max_log_strain_component": 0.0007752844189053351,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0006639668176587,
              0.9996935935799637,
              0.9986893862363482
            ],
            "cell_volume_ratio": 0.9990462748333321,
            "cell_rmsd_from_input_A": 0.00737877811514965
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.010987829355554993,
              0.47679781220752754,
              0.46054543939200765
            ],
            "branch_aligned_reduced_polarization": [
              0.010987829355554993,
              0.47679781220752754,
              0.46054543939200765
            ],
            "target_residual": 0.04707160784457756,
            "energy_eV": -125.37676139987235,
            "max_atomic_step_A": 0.010110251599659408,
            "max_log_strain_component": 8.637105454921408e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0007775426088432,
              0.9996325190087808,
              0.9985610894082786
            ],
            "cell_volume_ratio": 0.9989702756629113,
            "cell_rmsd_from_input_A": 0.008238410908907031
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.0001279016539981285,
              0.4997274452969154,
              0.4994563509075081
            ],
            "branch_aligned_reduced_polarization": [
              0.0001279016539981285,
              0.4997274452969154,
              0.4994563509075081
            ],
            "target_residual": 0.0006214493020643383,
            "energy_eV": -125.0578061304418
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_04",
        "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,
          0.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 0.0006214493020643383,
        "parent_symmetrization_rmsd_A": 0.08442178334400614,
        "parent_cell_rmsd_A": 0.008238410908907031,
        "energy_eV": -125.0578061304418,
        "reduced_polarization": [
          0.0001279016539981285,
          0.4997274452969154,
          0.4994563509075081
        ],
        "cartesian_polarization_e_A2": [
          -0.002381044805886054,
          0.0073371633472025,
          0.008588538676679662
        ],
        "ranking_score": 0.5877242846753615
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.015821402448390254,
              0.015821409954227896,
              0.015821431270410857
            ],
            "target_residual": 0.6849146791805655,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.11033175732651777,
            "max_log_strain_component": 0.0008642453805985316,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.000591294807241,
              0.9996193760892722,
              0.9988360773644186
            ],
            "cell_volume_ratio": 0.9990462782573185,
            "cell_rmsd_from_input_A": 0.006755328581926327
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.4605981844823964,
              0.010999510124978615,
              0.47685193672892773
            ],
            "branch_aligned_reduced_polarization": [
              0.4605981844823964,
              0.010999510124978615,
              0.47685193672892773
            ],
            "target_residual": 0.04700345862034344,
            "energy_eV": -125.37556281912664,
            "max_atomic_step_A": 0.010098073036315443,
            "max_log_strain_component": 8.932096229125259e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0007007120737714,
              0.9995433614465904,
              0.9987270076702137
            ],
            "cell_volume_ratio": 0.99897045092203,
            "cell_rmsd_from_input_A": 0.007568769014238796
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4994622119763981,
              0.000132417320735101,
              0.49973111861557706
            ],
            "branch_aligned_reduced_polarization": [
              0.4994622119763981,
              0.000132417320735101,
              0.49973111861557706
            ],
            "target_residual": 0.0006156683393268454,
            "energy_eV": -125.05686625239721
          }
        ],
        "iterations": 2
      },
      "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": 0.0006156683393268454,
        "parent_symmetrization_rmsd_A": 0.08442010187066937,
        "parent_cell_rmsd_A": 0.007568769014238796,
        "energy_eV": -125.05686625239721,
        "reduced_polarization": [
          0.4994622119763981,
          0.000132417320735101,
          0.49973111861557706
        ],
        "cartesian_polarization_e_A2": [
          0.007587304678595029,
          -0.00136488145350295,
          0.008591907384935156
        ],
        "ranking_score": 0.5875436308028827
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.015821402448390254,
              0.015821409954227872,
              0.01582143127041086
            ],
            "target_residual": 0.6849146947417611,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.11033170701210797,
            "max_log_strain_component": 0.0008594539335997736,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.0005352145071258,
              0.9997363124201213,
              0.9987752196651118
            ],
            "cell_volume_ratio": 0.9990462730749524,
            "cell_rmsd_from_input_A": 0.006830021079545739
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.47684674713115616,
              0.46061376711350155,
              0.01095341372675615
            ],
            "branch_aligned_reduced_polarization": [
              0.47684674713115616,
              0.46061376711350155,
              0.01095341372675615
            ],
            "target_residual": 0.04698218525853824,
            "energy_eV": -125.37565330490635,
            "max_atomic_step_A": 0.010092218877313229,
            "max_log_strain_component": 9.235620396955837e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              1.000631720947875,
              0.999675500643524,
              0.9986638148046992
            ],
            "cell_volume_ratio": 0.998970421172024,
            "cell_rmsd_from_input_A": 0.007583335198214847
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4997350983033403,
              0.4994653499057584,
              0.00013183739297786498
            ],
            "branch_aligned_reduced_polarization": [
              0.4997350983033403,
              0.4994653499057584,
              0.00013183739297786498
            ],
            "target_residual": 0.0006110685152688937,
            "energy_eV": -125.05695880870041
          }
        ],
        "iterations": 2
      },
      "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": 0.0006110685152688937,
        "parent_symmetrization_rmsd_A": 0.08441906180529123,
        "parent_cell_rmsd_A": 0.007583335198214847,
        "energy_eV": -125.05695880870041,
        "reduced_polarization": [
          0.4997350983033403,
          0.4994653499057584,
          0.00013183739297786498
        ],
        "cartesian_polarization_e_A2": [
          0.007591994912859713,
          0.008695325213012165,
          -2.4032889485487054e-07
        ],
        "ranking_score": 0.5875370326353827
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.01582140244839026,
              0.015821409954227896,
              0.01582143127041086
            ],
            "branch_aligned_reduced_polarization": [
              0.015821402448390254,
              0.015821409954227872,
              0.015821431270410857
            ],
            "target_residual": 0.8386219099229336,
            "energy_eV": -127.06948829839911,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00044742984001378276,
            "step_scale": 0.9138245320180846,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              0.9995856079260286,
              0.9995812182739314,
              0.9995038168920722
            ],
            "cell_volume_ratio": 0.9986712299525187,
            "cell_rmsd_from_input_A": 0.0038870228012753134
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.43035695518298533,
              0.4303565054379316,
              0.43035445835967817
            ],
            "branch_aligned_reduced_polarization": [
              0.43035695518298533,
              0.4303565054379316,
              0.43035445835967817
            ],
            "target_residual": 0.12062699323358503,
            "energy_eV": -125.00608881981879,
            "max_atomic_step_A": 0.02096238312376145,
            "max_log_strain_component": 0.00010178150450568664,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              0.9994913594140391,
              0.9994859775084972,
              0.9993909731829665
            ],
            "cell_volume_ratio": 0.9983691942282117,
            "cell_rmsd_from_input_A": 0.004770809920899042
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.49776886044733865,
              0.4977689012264343,
              0.49776861809590944
            ],
            "branch_aligned_reduced_polarization": [
              0.49776886044733865,
              0.4977689012264343,
              0.49776861809590944
            ],
            "target_residual": 0.0038645634478889166,
            "energy_eV": -124.03628919539115,
            "max_atomic_step_A": 0.0007120915890277018,
            "max_log_strain_component": 3.7172787393075357e-06,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.32529236511354326,
            "cell_principal_stretches": [
              0.9994879170064005,
              0.9994824992632954,
              0.9993868517624833
            ],
            "cell_volume_ratio": 0.9983581641604686,
            "cell_rmsd_from_input_A": 0.004803086705659644
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.4999962641716546,
              0.49999626718376516,
              0.49999626034595845
            ],
            "branch_aligned_reduced_polarization": [
              0.4999962641716546,
              0.49999626718376516,
              0.49999626034595845
            ],
            "target_residual": 6.471116041285021e-06,
            "energy_eV": -123.9988262294811
          }
        ],
        "iterations": 3
      },
      "parent": {
        "candidate_id": "bec_projection_07",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "R3",
        "spacegroup_number": 146,
        "pointgroup": "3",
        "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": 6.471116041285021e-06,
        "parent_symmetrization_rmsd_A": 0.0910386241282343,
        "parent_cell_rmsd_A": 0.004803086705659644,
        "energy_eV": -123.9988262294811,
        "reduced_polarization": [
          0.4999962641716546,
          0.49999626718376516,
          0.49999626034595845
        ],
        "cartesian_polarization_e_A2": [
          0.00640132114222272,
          0.007336303101475941,
          0.008592291399574186
        ],
        "ranking_score": 0.5922523380367317
      },
      "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,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25
        ],
        "endpoint_rmsd_A": 0.002718004332255399,
        "minimum_distance_A_by_image": [
          1.8190650647074316,
          1.818415583942323,
          1.817766152217853,
          1.8171167695903567,
          1.8164674361162345,
          1.815818151851971,
          1.815168916854128,
          1.8145197311793424,
          1.8138705948843297
        ],
        "minimum_distance_A": 1.8138705948843297,
        "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": [
          437.06765085371865,
          437.0702484725023,
          437.0728461067248,
          437.07544375638577,
          437.07804142148495,
          437.08063910202316,
          437.08323679800014,
          437.08583450941563,
          437.08843223627
        ],
        "cell_deformation_log_strain_norm": 2.7549296698712372e-05
      },
      "parent_reduced_polarization": [
        -2.8674848848620134e-06,
        -2.8680525948921297e-06,
        -2.871500522982823e-06
      ],
      "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": [
          -127.06948829839912,
          -127.06925486341261,
          -127.0689406981118,
          -127.06854578568287,
          -127.06807010821014,
          -127.06751364667646,
          -127.06687638096314,
          -127.06615828987974,
          -127.06535935123524
        ],
        "cartesian_polarizations_e_A2": [
          [
            0.00020234976089960507,
            0.00023190439140636295,
            0.0002716056732711305
          ],
          [
            0.00017705500345830332,
            0.00020291514830267363,
            0.00023765355481840676
          ],
          [
            0.00015175889752199804,
            0.00017392436085800965,
            0.0002036996281940081
          ],
          [
            0.00012646161116210242,
            0.0001449322216956169,
            0.0001697441189938642
          ],
          [
            0.00010116331220474232,
            0.00011593892315770619,
            0.00013578725248347242
          ],
          [
            7.586416822821145e-05,
            8.694465730276273e-05,
            0.00010182925359680387
          ],
          [
            5.056434656176809e-05,
            5.794961590308293e-05,
            6.787034693272975e-05
          ],
          [
            2.526401424258143e-05,
            2.8953990397277704e-05,
            3.39107566987331e-05
          ],
          [
            -3.666208301077989e-08,
            -4.20282245467435e-08,
            -4.929342217897115e-08
          ]
        ],
        "raw_reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.8674848848620134e-06,
            -2.8680525948921297e-06,
            -2.871500522982823e-06
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.86748488486201e-06,
            -2.868052594892038e-06,
            -2.871500522982646e-06
          ]
        ],
        "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": [
          [
            0.015821402448390587,
            0.015821409954226873,
            0.015821431270410025
          ],
          [
            0.013843697237732822,
            0.013843703678336539,
            0.013843722054853402
          ],
          [
            0.011865871929398142,
            0.011865877320385576,
            0.011865892713107007
          ],
          [
            0.009887939663546175,
            0.009887944020726125,
            0.009887956385349228
          ],
          [
            0.00790991356134263,
            0.00790991690072107,
            0.007909926192706362
          ],
          [
            0.005931806724782551,
            0.005931809062578286,
            0.005931815237188887
          ],
          [
            0.0039536322365699705,
            0.00395363358917622,
            0.003953636601482846
          ],
          [
            0.001975403156779132,
            0.0019754035408170445,
            0.001975403345670479
          ],
          [
            -2.8674848848719847e-06,
            -2.868052594917625e-06,
            -2.871500522971804e-06
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -127.06535935123524,
          -127.06448808798736,
          -127.06353572724655,
          -127.06250223127684,
          -127.06138756124199,
          -127.06019167720522,
          -127.05891453813004,
          -127.0575561018801,
          -127.05611632522123
        ],
        "cartesian_polarizations_e_A2": [
          [
            -3.6662083050722044e-08,
            -4.2028224492846983e-08,
            -4.92934222331693e-08
          ],
          [
            -2.533077625574877e-05,
            -2.903047055287029e-05,
            -3.40003423069137e-05
          ],
          [
            -5.062508523018163e-05,
            -5.801913725400091e-05,
            -6.795165450584981e-05
          ],
          [
            -7.591942275100765e-05,
            -8.700783779462209e-05,
            -0.00010190300686379468
          ],
          [
            -0.00010121362282275659,
            -0.00011599638194021755,
            -0.00013585417657469335
          ],
          [
            -0.00012650751971135358,
            -0.00014498457975494663,
            -0.00016980494118227227
          ],
          [
            -0.00015180094794544786,
            -0.00017397224160449658,
            -0.00020375507858439655
          ],
          [
            -0.00017709374231824124,
            -0.00020295917815775914,
            -0.00023770436703292853
          ],
          [
            -0.00020238573788832086,
            -0.00023194520038787015,
            -0.000271652585136535
          ]
        ],
        "raw_reduced_polarization": [
          [
            -2.8674848872135116e-06,
            -2.8680525922860774e-06,
            -2.871500526140046e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -2.8674848872135116e-06,
            -2.8680525922860774e-06,
            -2.871500526140046e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -0.01582713724782934,
          -0.015827145888589543,
          -0.015827174099576267
        ],
        "actual_opposite_endpoint_branch_residual": 5.143127846755625e-06
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.8674848848620134e-06,
            -2.8680525948921297e-06,
            -2.871500522982823e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.01582140244839057,
            0.015821409954226928,
            0.01582143127041003
          ],
          [
            0.01384369723773279,
            0.013843703678336565,
            0.013843722054853375
          ],
          [
            0.011865871929398135,
            0.01186587732038554,
            0.011865892713107049
          ],
          [
            0.00988793966354622,
            0.009887944020726163,
            0.009887956385349263
          ],
          [
            0.00790991356134263,
            0.00790991690072111,
            0.007909926192706385
          ],
          [
            0.005931806724782558,
            0.005931809062578322,
            0.005931815237188907
          ],
          [
            0.003953632236570002,
            0.003953633589176265,
            0.003953636601482846
          ],
          [
            0.0019754031567791124,
            0.0019754035408170592,
            0.0019754033456704564
          ],
          [
            -2.86748488486201e-06,
            -2.868052594892038e-06,
            -2.871500522982646e-06
          ],
          [
            -0.001980622810435165,
            -0.001980621559570038,
            -0.0019806219761977655
          ],
          [
            -0.003958378707118663,
            -0.003958375653755686,
            -0.003958372993896063
          ],
          [
            -0.005936122175430105,
            -0.005936117335875925,
            -0.005936111554166337
          ],
          [
            -0.007913840236384787,
            -0.00791383362722658,
            -0.007913824678089662
          ],
          [
            -0.009891519931612221,
            -0.00989151156967353,
            -0.009891499407316838
          ],
          [
            -0.011869148323493497,
            -0.011869138225856191,
            -0.01186912280432179
          ],
          [
            -0.013846712495276912,
            -0.013846700679282325,
            -0.013846681952393008
          ],
          [
            -0.0158241995511588,
            -0.015824186034413087,
            -0.015824163955796628
          ]
        ],
        "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": [
          [
            0.015821402448390587,
            0.015821409954226873,
            0.015821431270410025
          ],
          [
            0.013843697237732822,
            0.013843703678336539,
            0.013843722054853402
          ],
          [
            0.011865871929398142,
            0.011865877320385576,
            0.011865892713107007
          ],
          [
            0.009887939663546175,
            0.009887944020726125,
            0.009887956385349228
          ],
          [
            0.00790991356134263,
            0.00790991690072107,
            0.007909926192706362
          ],
          [
            0.005931806724782551,
            0.005931809062578286,
            0.005931815237188887
          ],
          [
            0.0039536322365699705,
            0.00395363358917622,
            0.003953636601482846
          ],
          [
            0.001975403156779132,
            0.0019754035408170445,
            0.001975403345670479
          ],
          [
            -2.8674848848719847e-06,
            -2.868052594917625e-06,
            -2.871500522971804e-06
          ],
          [
            -0.001980622810435151,
            -0.001980621559570017,
            -0.0019806219761977495
          ],
          [
            -0.0039583787071186816,
            -0.003958375653755675,
            -0.003958372993896064
          ],
          [
            -0.005936122175430103,
            -0.005936117335875901,
            -0.005936111554166346
          ],
          [
            -0.007913840236384806,
            -0.007913833627226585,
            -0.007913824678089654
          ],
          [
            -0.009891519931612247,
            -0.00989151156967355,
            -0.009891499407316817
          ],
          [
            -0.011869148323493506,
            -0.011869138225856168,
            -0.011869122804321786
          ],
          [
            -0.013846712495276914,
            -0.013846700679282342,
            -0.013846681952393025
          ],
          [
            -0.015824199551158824,
            -0.0158241860344131,
            -0.01582416395579661
          ]
        ]
      },
      "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": "R3",
        "spacegroup_number": 146,
        "pointgroup": "3",
        "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": 4.96927666204274e-06,
        "parent_symmetrization_rmsd_A": 0.002718004332255399,
        "parent_cell_rmsd_A": 0.00013905593516003357,
        "energy_eV": -127.06535935123529,
        "reduced_polarization": [
          -2.8674848875399297e-06,
          -2.868052590169501e-06,
          -2.871500531721137e-06
        ],
        "cartesian_polarization_e_A2": [
          -3.6662083048213755e-08,
          -4.202822444085549e-08,
          -4.929342232897652e-08
        ],
        "ranking_score": 0.5027627068693695
      }
    }
  ],
  "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": 49,
      "full_response": 17,
      "energy_polarization": 32
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 74,
      "full_response": 42,
      "energy_polarization": 32
    },
    "elapsed_seconds": 286.7907032179646
  }
}
