{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 38,
  "input_formula": "C6H20Cl2N2O8",
  "input_spacegroup": "P2_1",
  "input_pointgroup": "2",
  "input_is_polar_point_group": true,
  "input_energy_eV": -186.14641402878726,
  "input_cartesian_polarization_e_A2": [
    9.097239392860035e-18,
    0.00018775005897433327,
    -3.588154182841209e-18
  ],
  "input_reduced_polarization": [
    6.234747484517372e-16,
    0.008046966319969208,
    -6.745511440125852e-17
  ],
  "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,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.5,
        0.0
      ]
    },
    {
      "orbit_id": 2,
      "representative_formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 3,
      "representative_formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        -0.5
      ]
    },
    {
      "orbit_id": 4,
      "representative_formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        0.5,
        0.0
      ]
    },
    {
      "orbit_id": 5,
      "representative_formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.5,
        -0.5
      ]
    },
    {
      "orbit_id": 6,
      "representative_formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        -0.5
      ]
    },
    {
      "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": "P2_1/m",
      "spacegroup_number": 11,
      "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": 2.721500410227004e-15,
      "parent_symmetrization_rmsd_A": 0.06056885553507989,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -186.15059031082652,
      "reduced_polarization": [
        1.4382146587791069e-15,
        -2.0838008487702115e-15,
        -9.979364212229127e-16
      ],
      "cartesian_polarization_e_A2": [
        2.0985265372374344e-17,
        -4.861878584933234e-17,
        -2.5153323261533323e-17
      ],
      "ranking_score": 0.06056885553508533
    },
    {
      "candidate_id": "symmetry_projection_00",
      "source": "spglib_refine_cell_from_polar_endpoint",
      "spacegroup": "P2_1/m",
      "spacegroup_number": 11,
      "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": 7.245710160946012e-16,
      "parent_symmetrization_rmsd_A": 0.0785153107974372,
      "parent_cell_rmsd_A": 1.2905918285135831e-15,
      "energy_eV": -185.61308379046733,
      "reduced_polarization": [
        -4.654839423457784e-16,
        4.324030071086571e-16,
        -3.4836115774578775e-16
      ],
      "cartesian_polarization_e_A2": [
        -5.3278653017945236e-18,
        1.0088732431235027e-17,
        -6.777624567588951e-18
      ],
      "ranking_score": 0.07851531079743897
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P2_1",
      "spacegroup_number": 4,
      "pointgroup": "2",
      "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": 1.4379166030691137e-06,
      "parent_symmetrization_rmsd_A": 0.0018699546651414468,
      "parent_cell_rmsd_A": 0.000391082972649586,
      "energy_eV": -186.14182267520457,
      "reduced_polarization": [
        1.1054723355257148e-15,
        1.4379166030691137e-06,
        1.0464032613034134e-15
      ],
      "cartesian_polarization_e_A2": [
        1.6128880543591555e-17,
        3.35513675325395e-08,
        1.6998752752684133e-17
      ],
      "ranking_score": 0.5019706012415099
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "P2_1/m",
      "spacegroup_number": 11,
      "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": 2.231583445772233e-15,
      "parent_symmetrization_rmsd_A": 0.060568912857495785,
      "parent_cell_rmsd_A": 0.000391082972649586,
      "energy_eV": -186.1504589255403,
      "reduced_polarization": [
        -1.909064931638541e-15,
        8.238101340069219e-16,
        -8.104150944670903e-16
      ],
      "cartesian_polarization_e_A2": [
        -2.785403302865194e-17,
        1.9222225074876882e-17,
        -9.387370923124074e-18
      ],
      "ranking_score": 0.060666683600662644
    },
    {
      "candidate_id": "symmetry_parent_00_00",
      "source": "spglib_refine_cell_after_MACEField_BEC_backprojection",
      "spacegroup": "P2_1/m",
      "spacegroup_number": 11,
      "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": 1.1343103133791626e-15,
      "parent_symmetrization_rmsd_A": 0.07849177331127075,
      "parent_cell_rmsd_A": 0.0003910829726497035,
      "energy_eV": -185.61405278492268,
      "reduced_polarization": [
        -5.805290541806667e-16,
        1.7080767163193892e-16,
        -9.594116132307917e-16
      ],
      "cartesian_polarization_e_A2": [
        -4.131892993189747e-18,
        3.9855099774691525e-18,
        -1.8666007820111575e-17
      ],
      "ranking_score": 0.07858954405443544
    },
    {
      "candidate_id": "bec_projection_01",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P2_1",
      "spacegroup_number": 4,
      "pointgroup": "2",
      "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": 3.2557235364882864e-06,
      "parent_symmetrization_rmsd_A": 0.1303878346616944,
      "parent_cell_rmsd_A": 0.048772294828437736,
      "energy_eV": -143.05521775198682,
      "reduced_polarization": [
        5.333924661652058e-15,
        0.4999967442764635,
        1.7056372413682334e-15
      ],
      "cartesian_polarization_e_A2": [
        1.6927184144318946e-15,
        0.011569183270405554,
        6.971346182461129e-16
      ],
      "ranking_score": 0.6425874198158767
    },
    {
      "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": [
        0.5,
        0.0,
        0.0
      ],
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_residual": 1.6408622027153902e-06,
      "parent_symmetrization_rmsd_A": 0.0973048686338176,
      "parent_cell_rmsd_A": 0.0431098182839987,
      "energy_eV": -168.3816726838297,
      "reduced_polarization": [
        0.5000013958448215,
        -1.0400538072010892e-07,
        8.562878507587587e-07
      ],
      "cartesian_polarization_e_A2": [
        0.0072955307277130935,
        4.598576808757394e-05,
        -0.0017936604354906757
      ],
      "ranking_score": 0.6080856049292227
    },
    {
      "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": [
        0.0,
        0.0,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_residual": 0.0005579484817399971,
      "parent_symmetrization_rmsd_A": 0.11471550749166563,
      "parent_cell_rmsd_A": 0.011794210299213171,
      "energy_eV": -154.10160181574986,
      "reduced_polarization": [
        3.2857402262298694e-05,
        3.9993814096685126e-05,
        -0.49944445756757333
      ],
      "cartesian_polarization_e_A2": [
        1.519311280684029e-06,
        5.925562015653382e-06,
        -0.010019202433053775
      ],
      "ranking_score": 0.6187799570299489
    },
    {
      "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": [
        0.5,
        0.5,
        0.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 0.11513046855527574,
      "parent_symmetrization_rmsd_A": 0.14509007288126555,
      "parent_cell_rmsd_A": 0.10788077528935724,
      "energy_eV": -143.67765584616046,
      "reduced_polarization": [
        0.3988944050603018,
        0.4466907147189702,
        0.01381316634493312
      ],
      "cartesian_polarization_e_A2": [
        0.005895052563470419,
        0.010433377038695749,
        -0.0010901356851590596
      ],
      "ranking_score": 0.9023212038141564
    },
    {
      "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": [
        0.0,
        0.5,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 0.1544799719045638,
      "parent_symmetrization_rmsd_A": 0.14242026843466865,
      "parent_cell_rmsd_A": 0.09058607526635314,
      "energy_eV": -151.58893242251077,
      "reduced_polarization": [
        0.04376510731872806,
        0.37343784383339884,
        -0.42298897658467394
      ],
      "cartesian_polarization_e_A2": [
        0.0005247720493027472,
        0.008765607249433044,
        -0.008661515226100222
      ],
      "ranking_score": 0.9740267310603845
    },
    {
      "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,
        0.0,
        -0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 0.13389687404538772,
      "parent_symmetrization_rmsd_A": 0.13922132120119504,
      "parent_cell_rmsd_A": 0.10594366466139672,
      "energy_eV": -149.5121862556004,
      "reduced_polarization": [
        0.4066302814274724,
        0.003520984911994555,
        -0.40409342463593584
      ],
      "cartesian_polarization_e_A2": [
        0.0059041355237275765,
        0.00011446858500067533,
        -0.009724137776829888
      ],
      "ranking_score": 0.9335009854573196
    },
    {
      "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": 0.3334636590137051,
      "parent_symmetrization_rmsd_A": 0.14708165645070045,
      "parent_cell_rmsd_A": 0.09810437656246164,
      "energy_eV": -141.05884392652052,
      "reduced_polarization": [
        0.24895748206987406,
        0.3148247201813068,
        -0.38216205272417686
      ],
      "cartesian_polarization_e_A2": [
        0.0035951096030598893,
        0.0073862835770557075,
        -0.0086241977122976
      ],
      "ranking_score": 1.338535068618726
    }
  ],
  "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "target_residual": 0.008046966319969208,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.006541939808508632,
            "max_log_strain_component": 6.206138972931554e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.000046782679096,
              1.000010516347518,
              0.9999235645601083
            ],
            "cell_volume_ratio": 0.9999808596989908,
            "cell_rmsd_from_input_A": 0.000391082972649586
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              1.1054723355257148e-15,
              1.4379166030691137e-06,
              1.0464032613034134e-15
            ],
            "branch_aligned_reduced_polarization": [
              1.1054723355257148e-15,
              1.4379166030691137e-06,
              1.0464032613034134e-15
            ],
            "target_residual": 1.4379166030691137e-06,
            "energy_eV": -186.14182267520457
          }
        ],
        "iterations": 1
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "P2_1/m",
        "spacegroup_number": 11,
        "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": 2.721500410227004e-15,
        "parent_symmetrization_rmsd_A": 0.06056885553507989,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -186.15059031082652,
        "reduced_polarization": [
          1.4382146587791069e-15,
          -2.0838008487702115e-15,
          -9.979364212229127e-16
        ],
        "cartesian_polarization_e_A2": [
          2.0985265372374344e-17,
          -4.861878584933234e-17,
          -2.5153323261533323e-17
        ],
        "ranking_score": 0.06056885553508533
      },
      "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": [
          -186.1464140287873,
          -186.14798974604295,
          -186.14909073244354,
          -186.1498109268146,
          -186.1502410947278,
          -186.15046651559862,
          -186.15056144416397,
          -186.1505876908718,
          -186.1505903108265
        ],
        "cartesian_polarizations_e_A2": [
          [
            2.029662972112199e-18,
            0.00018775005897434988,
            3.1894703847477415e-18
          ],
          [
            -2.6766180444729625e-17,
            0.00016450062188731087,
            1.920931027177617e-18
          ],
          [
            1.1000048429215222e-17,
            0.00014121589626192162,
            7.611236145420746e-19
          ],
          [
            1.462444659370129e-17,
            0.00011787166690577658,
            -8.626067631476845e-18
          ],
          [
            -5.327865301794523e-18,
            9.444846698039739e-05,
            -2.9901284857010073e-17
          ],
          [
            -3.080738439813159e-19,
            7.093698229505069e-05,
            2.9901284857010073e-17
          ],
          [
            1.148934218142084e-17,
            4.734499951766336e-05,
            -1.4352616731364837e-17
          ],
          [
            3.343507306738399e-17,
            2.3690901360297905e-05,
            -3.696886127775791e-18
          ],
          [
            -5.817159054000142e-18,
            -5.104659302690716e-17,
            -2.6095666784299702e-17
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.538828133669412e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.651425817625712e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.1113686700556835e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730509e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.2578233067512897e-16
          ],
          [
            -3.986760841693379e-16,
            -2.187856648784606e-15,
            -1.3738799371028093e-15
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.53882813366941e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.6514258176257123e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.111368670055681e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730507e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.257823306751289e-16
          ],
          [
            -3.9867608416933806e-16,
            -2.187919984075748e-15,
            -1.3738799371028093e-15
          ]
        ],
        "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": [
          [
            1.1102230246251565e-16,
            0.008046966319969928,
            2.220446049250313e-16
          ],
          [
            -1.8318679906315083e-15,
            0.0070504955959674875,
            -2.220446049250313e-16
          ],
          [
            7.771561172376096e-16,
            0.0060525124054384705,
            2.220446049250313e-16
          ],
          [
            9.992007221626409e-16,
            0.0050519788853918834,
            -2.7755575615628914e-16
          ],
          [
            -3.885780586188048e-16,
            0.004048060687255939,
            -1.5543122344752192e-15
          ],
          [
            0.0,
            0.003040358604875615,
            1.4432899320127035e-15
          ],
          [
            7.771561172376096e-16,
            0.002029206374788317,
            -5.551115123125783e-16
          ],
          [
            2.3314683517128287e-15,
            0.0010153918799146178,
            2.220446049250313e-16
          ],
          [
            -3.885780586188048e-16,
            -2.1649348980190553e-15,
            -1.3877787807814457e-15
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -186.15059031082652,
          -186.1505876908718,
          -186.1505614441639,
          -186.15046651559865,
          -186.15024109472785,
          -186.14981092681464,
          -186.1490907324435,
          -186.14798974604292,
          -186.14641402878732
        ],
        "cartesian_polarizations_e_A2": [
          [
            -5.8896470172898635e-18,
            -4.902945563383926e-17,
            -2.326863621600057e-17
          ],
          [
            1.6998427391439666e-17,
            -2.3690901360304048e-05,
            -3.2619583480374628e-18
          ],
          [
            6.4333067419627735e-18,
            -4.734499951770279e-05,
            3.5736565901832645e-17
          ],
          [
            1.9897945923028523e-17,
            -7.093698229508857e-05,
            -1.4860032474392885e-17
          ],
          [
            -1.9626116060692067e-17,
            -9.44484669804519e-05,
            -2.2217560748299606e-17
          ],
          [
            -3.696886127775791e-18,
            -0.00011787166690579277,
            -3.450427052590738e-17
          ],
          [
            2.379417394985105e-17,
            -0.0001412158962619845,
            9.314703282729199e-18
          ],
          [
            -1.6327913731009744e-17,
            -0.00016450062188734928,
            -3.2982023296823235e-18
          ],
          [
            -1.5856741969626554e-17,
            -0.00018775005897436498,
            6.161476879626318e-19
          ]
        ],
        "raw_reduced_polarization": [
          [
            -4.036440104518219e-16,
            -2.1014021530926134e-15,
            -1.2336659641107636e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829931e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.53364240406682e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483005e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -4.036440104518219e-16,
            -2.1014021530926134e-15,
            -1.2336659641107636e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829929e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.533642404066821e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -9.36454104248227e-16,
          -0.008046966319974296,
          -2.931860826830845e-15
        ],
        "actual_opposite_endpoint_branch_residual": 4.647029564318047e-15
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.538828133669412e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.651425817625712e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.1113686700556835e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730509e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.2578233067512897e-16
          ],
          [
            -3.986760841693379e-16,
            -2.187856648784606e-15,
            -1.3738799371028093e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829931e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.53364240406682e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483005e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.53882813366941e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.6514258176257123e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.111368670055681e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730507e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.257823306751289e-16
          ],
          [
            -3.9867608416933806e-16,
            -2.187919984075748e-15,
            -1.3738799371028093e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829929e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.533642404066821e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "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": [
          [
            1.1102230246251565e-16,
            0.008046966319969928,
            2.220446049250313e-16
          ],
          [
            -1.8318679906315083e-15,
            0.0070504955959674875,
            -2.220446049250313e-16
          ],
          [
            7.771561172376096e-16,
            0.0060525124054384705,
            2.220446049250313e-16
          ],
          [
            9.992007221626409e-16,
            0.0050519788853918834,
            -2.7755575615628914e-16
          ],
          [
            -3.885780586188048e-16,
            0.004048060687255939,
            -1.5543122344752192e-15
          ],
          [
            0.0,
            0.003040358604875615,
            1.4432899320127035e-15
          ],
          [
            7.771561172376096e-16,
            0.002029206374788317,
            -5.551115123125783e-16
          ],
          [
            2.3314683517128287e-15,
            0.0010153918799146178,
            2.220446049250313e-16
          ],
          [
            -3.885780586188048e-16,
            -2.1649348980190553e-15,
            -1.3877787807814457e-15
          ],
          [
            1.1102230246251565e-15,
            -0.0010153918799148953,
            0.0
          ],
          [
            4.440892098500626e-16,
            -0.0020292063747899824,
            1.887379141862766e-15
          ],
          [
            1.3322676295501878e-15,
            -0.00304035860487728,
            -4.996003610813204e-16
          ],
          [
            -1.3322676295501878e-15,
            -0.00404806068725827,
            -1.3322676295501878e-15
          ],
          [
            -2.7755575615628914e-16,
            -0.005051978885392605,
            -1.7763568394002505e-15
          ],
          [
            1.6653345369377348e-15,
            -0.006052512405441135,
            7.771561172376096e-16
          ],
          [
            -1.1102230246251565e-15,
            -0.007050495595969153,
            -3.885780586188048e-16
          ],
          [
            -1.1102230246251565e-15,
            -0.008046966319970594,
            -1.6653345369377348e-16
          ]
        ]
      },
      "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,
        0.5,
        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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.234747484517372e-16,
              0.008046966319969207,
              -6.745511440125852e-17
            ],
            "target_residual": 0.4919530336800308,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.001138403437743589,
            "step_scale": 0.30004282284122513,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0014031062927944,
              0.9998071163302745,
              0.9991422449044494
            ],
            "cell_volume_ratio": 1.000351159048746,
            "cell_rmsd_from_input_A": 0.007171984136321513
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -2.391123338711606e-15,
              0.14193184957481111,
              1.6846290929678484e-15
            ],
            "branch_aligned_reduced_polarization": [
              -2.391123338711606e-15,
              0.1419318495748111,
              1.6846290929678484e-15
            ],
            "target_residual": 0.3580681504251889,
            "energy_eV": -184.25264154283292,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0015458294820406481,
            "step_scale": 0.32170883738345063,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0033115259905336,
              0.999545260601175,
              0.9979786834180858
            ],
            "cell_volume_ratio": 1.0008281927022105,
            "cell_rmsd_from_input_A": 0.01690560489161033
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -4.466003998484088e-16,
              0.22588624528086554,
              5.858064803593168e-15
            ],
            "branch_aligned_reduced_polarization": [
              -4.466003998484088e-16,
              0.22588624528086554,
              5.858064803593168e-15
            ],
            "target_residual": 0.27411375471913446,
            "energy_eV": -177.56467727583046,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.003543835051310927,
            "step_scale": 0.3381369992725191,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.00770034143749,
              0.9989452115935338,
              0.9953163143667355
            ],
            "cell_volume_ratio": 1.0019226575276057,
            "cell_rmsd_from_input_A": 0.039198284286321064
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -4.6780286788693164e-14,
              0.30859445582137046,
              -3.4368637008240834e-14
            ],
            "branch_aligned_reduced_polarization": [
              -4.6780286788693164e-14,
              0.30859445582137046,
              -3.4368637008240834e-14
            ],
            "target_residual": 0.19140554417862954,
            "energy_eV": -168.21856636393684,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.0015701335520461345,
            "step_scale": 0.7249991073267484,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.009650984791485,
              0.9986794687119293,
              0.9941389953219363
            ],
            "cell_volume_ratio": 1.0024079542661675,
            "cell_rmsd_from_input_A": 0.04906591310919338
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -3.6405897347072457e-14,
              0.5011682542770544,
              -1.593992293825457e-14
            ],
            "branch_aligned_reduced_polarization": [
              -3.6405897347072457e-14,
              0.5011682542770544,
              -1.593992293825457e-14
            ],
            "target_residual": 0.0011682542770543591,
            "energy_eV": -142.85624119511104,
            "max_atomic_step_A": 0.0005634141800159859,
            "max_log_strain_component": 5.32103373163601e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.5752737249990432,
            "cell_principal_stretches": [
              1.0096704664937346,
              0.9986946444587118,
              0.9941918952006144
            ],
            "cell_volume_ratio": 1.0024958706329787,
            "cell_rmsd_from_input_A": 0.048772294828437736
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              5.333924661652058e-15,
              0.4999967442764635,
              1.7056372413682334e-15
            ],
            "branch_aligned_reduced_polarization": [
              5.333924661652058e-15,
              0.4999967442764635,
              1.7056372413682334e-15
            ],
            "target_residual": 3.2557235364882864e-06,
            "energy_eV": -143.05521775198682
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P2_1",
        "spacegroup_number": 4,
        "pointgroup": "2",
        "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": 3.2557235364882864e-06,
        "parent_symmetrization_rmsd_A": 0.1303878346616944,
        "parent_cell_rmsd_A": 0.048772294828437736,
        "energy_eV": -143.05521775198682,
        "reduced_polarization": [
          5.333924661652058e-15,
          0.4999967442764635,
          1.7056372413682334e-15
        ],
        "cartesian_polarization_e_A2": [
          1.6927184144318946e-15,
          0.011569183270405554,
          6.971346182461129e-16
        ],
        "ranking_score": 0.6425874198158767
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 2,
      "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.106226635438361e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "target_residual": 0.5000647494744597,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0017370728797100785,
            "step_scale": 0.4529143885199009,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0018129290291211,
              1.0000041974075884,
              0.9981775087015475
            ],
            "cell_volume_ratio": 0.9999913310368717,
            "cell_rmsd_from_input_A": 0.010981436592589485
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.20480852279538853,
              0.0046317365306799375,
              -0.0005005156402543705
            ],
            "branch_aligned_reduced_polarization": [
              0.20480852279538853,
              0.0046317365306799375,
              -0.0005005156402543705
            ],
            "target_residual": 0.2952282366465587,
            "energy_eV": -184.48934586985453,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.0021694385624625337,
            "step_scale": 0.5506257574833793,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.004085301019994,
              1.0000069732398742,
              0.9959100327467098
            ],
            "cell_volume_ratio": 0.9999855981101339,
            "cell_rmsd_from_input_A": 0.02469541377022409
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.3333818834444331,
              0.0027375574165063106,
              0.00037726826907532164
            ],
            "branch_aligned_reduced_polarization": [
              0.3333818834444331,
              0.0027375574165063106,
              0.00037726826907532164
            ],
            "target_residual": 0.16664103131125899,
            "energy_eV": -179.0685232327512,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.002825617225650159,
            "step_scale": 0.6808399751090387,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0070565632152666,
              1.0000078976580034,
              0.9929688411104911
            ],
            "cell_volume_ratio": 0.9999836859753671,
            "cell_rmsd_from_input_A": 0.04255699546493003
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.47806771919642044,
              -0.0013616335202616633,
              0.009552208118344441
            ],
            "branch_aligned_reduced_polarization": [
              0.47806771919642044,
              -0.0013616335202616633,
              0.009552208118344441
            ],
            "target_residual": 0.023960877843408206,
            "energy_eV": -170.4869486070927,
            "max_atomic_step_A": 0.022043597635133895,
            "max_log_strain_component": 9.074106864104729e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0071587548145486,
              1.0000033129602186,
              0.9928820420537635
            ],
            "cell_volume_ratio": 0.999993154079157,
            "cell_rmsd_from_input_A": 0.043126720405798076
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.5009546445007453,
              -0.00010510331280221214,
              0.0007901510936162839
            ],
            "branch_aligned_reduced_polarization": [
              0.5009546445007453,
              -0.00010510331280221214,
              0.0007901510936162839
            ],
            "target_residual": 0.0012436766380005398,
            "energy_eV": -168.34093566063416,
            "max_atomic_step_A": 0.0006445074495769516,
            "max_log_strain_component": 1.4495364608807342e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.6483728578291255,
            "cell_principal_stretches": [
              1.007165751849602,
              1.000012110044123,
              0.9928950402552015
            ],
            "cell_volume_ratio": 1.0000219898901372,
            "cell_rmsd_from_input_A": 0.0431098182839987
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.5000013958448215,
              -1.0400538072010892e-07,
              8.562878507587587e-07
            ],
            "branch_aligned_reduced_polarization": [
              0.5000013958448215,
              -1.0400538072010892e-07,
              8.562878507587587e-07
            ],
            "target_residual": 1.6408622027153902e-06,
            "energy_eV": -168.3816726838297
          }
        ],
        "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": [
          0.5,
          0.0,
          0.0
        ],
        "formal_class": [
          0.5,
          0.0,
          0.0
        ],
        "target_residual": 1.6408622027153902e-06,
        "parent_symmetrization_rmsd_A": 0.0973048686338176,
        "parent_cell_rmsd_A": 0.0431098182839987,
        "energy_eV": -168.3816726838297,
        "reduced_polarization": [
          0.5000013958448215,
          -1.0400538072010892e-07,
          8.562878507587587e-07
        ],
        "cartesian_polarization_e_A2": [
          0.0072955307277130935,
          4.598576808757394e-05,
          -0.0017936604354906757
        ],
        "ranking_score": 0.6080856049292227
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 3,
      "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.234747484517372e-16,
              0.008046966319969208,
              -5.551115123125783e-17
            ],
            "target_residual": 0.5000647494744602,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0004623967238604518,
            "step_scale": 0.3582546034028437,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0004811179342947,
              1.0000034049671673,
              0.9995088562884787
            ],
            "cell_volume_ratio": 0.9999931428569507,
            "cell_rmsd_from_input_A": 0.002939689486291039
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.003457396024418168,
              0.004979316911675857,
              -0.16303700284971853
            ],
            "branch_aligned_reduced_polarization": [
              -0.003457396024418168,
              0.004979316911675857,
              -0.16303700284971856
            ],
            "target_residual": 0.3370175197711198,
            "energy_eV": -184.33399586132657,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.000377275784073224,
            "step_scale": 0.3796773296365905,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0008747008054266,
              1.0000061228260297,
              0.9991076903344835
            ],
            "cell_volume_ratio": 0.9999877333493619,
            "cell_rmsd_from_input_A": 0.005343862197176993
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.010991784586004487,
              0.0031619745376868322,
              -0.2623971246702333
            ],
            "branch_aligned_reduced_polarization": [
              -0.010991784586004487,
              0.0031619745376868322,
              -0.2623971246702333
            ],
            "target_residual": 0.2378780018756143,
            "energy_eV": -178.19844626909287,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00027199317176672817,
            "step_scale": 0.3848427444564949,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0011565126358237,
              1.000011269890851,
              0.998811224953538
            ],
            "cell_volume_ratio": 0.9999776322677615,
            "cell_rmsd_from_input_A": 0.0070964583748083536
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.003672796343836665,
              0.0020463498826923266,
              -0.38868383074121926
            ],
            "branch_aligned_reduced_polarization": [
              0.003672796343836665,
              0.0020463498826923266,
              -0.38868383074121926
            ],
            "target_residual": 0.11139554084107324,
            "energy_eV": -168.6935946296128,
            "max_atomic_step_A": 0.07614405929362239,
            "max_log_strain_component": 0.0002863230041086777,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.001451131906457,
              1.0000162012890081,
              0.9985025355434753
            ],
            "cell_volume_ratio": 0.9999676949346361,
            "cell_rmsd_from_input_A": 0.008920636385949157
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.006525965714800404,
              0.0007037641115516856,
              -0.48335950247622317
            ],
            "branch_aligned_reduced_polarization": [
              0.006525965714800404,
              0.0007037641115516856,
              -0.48335950247622317
            ],
            "target_residual": 0.017888255093057043,
            "energy_eV": -155.73773035793255,
            "max_atomic_step_A": 0.010327301763310155,
            "max_log_strain_component": 0.0010894254381867267,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.9921770637282545,
            "cell_principal_stretches": [
              1.000868719746962,
              0.9990182845886567,
              0.9977583963231939
            ],
            "cell_volume_ratio": 0.9976448030264643,
            "cell_rmsd_from_input_A": 0.011794210299213171
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              3.2857402262298694e-05,
              3.9993814096685126e-05,
              -0.49944445756757333
            ],
            "branch_aligned_reduced_polarization": [
              3.2857402262298694e-05,
              3.9993814096685126e-05,
              -0.49944445756757333
            ],
            "target_residual": 0.0005579484817399971,
            "energy_eV": -154.10160181574986
          }
        ],
        "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": [
          0.0,
          0.0,
          -0.5
        ],
        "formal_class": [
          0.0,
          0.0,
          0.5
        ],
        "target_residual": 0.0005579484817399971,
        "parent_symmetrization_rmsd_A": 0.11471550749166563,
        "parent_cell_rmsd_A": 0.011794210299213171,
        "energy_eV": -154.10160181574986,
        "reduced_polarization": [
          3.2857402262298694e-05,
          3.9993814096685126e-05,
          -0.49944445756757333
        ],
        "cartesian_polarization_e_A2": [
          1.519311280684029e-06,
          5.925562015653382e-06,
          -0.010019202433053775
        ],
        "ranking_score": 0.6187799570299489
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.106226635438361e-16,
              0.008046966319969207,
              -6.745511440125852e-17
            ],
            "target_residual": 0.7014397959532841,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0009566743092335008,
            "step_scale": 0.24943775522182018,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0015962522504163,
              0.9998505886827066,
              0.9988469896136393
            ],
            "cell_volume_ratio": 1.000291924100978,
            "cell_rmsd_from_input_A": 0.00849098982115032
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.11717456735044045,
              0.12123042642566982,
              -0.0027826363837871503
            ],
            "branch_aligned_reduced_polarization": [
              0.11717456735044046,
              0.12123042642566983,
              -0.0027826363837871503
            ],
            "target_residual": 0.5385438188432272,
            "energy_eV": -184.47342183613395,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.0012300622424600918,
            "step_scale": 0.2697527945512704,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0036358730737656,
              0.9996558113805979,
              0.9973896291509734
            ],
            "cell_volume_ratio": 1.0006714729287456,
            "cell_rmsd_from_input_A": 0.019291132748048063
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.20448522184761236,
              0.1986858204821443,
              -0.01240282324683091
            ],
            "branch_aligned_reduced_polarization": [
              0.20448522184761236,
              0.19868582048214434,
              -0.01240282324683091
            ],
            "target_residual": 0.4222239321846472,
            "energy_eV": -179.01533008214182,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0028006048322931866,
            "step_scale": 0.271486670559924,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0080796298808063,
              0.9992090254076665,
              0.9942954443126956
            ],
            "cell_volume_ratio": 1.0015361667358103,
            "cell_rmsd_from_input_A": 0.04259180092356933
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.2689239502295816,
              0.2645020907558765,
              -0.024227048866605965
            ],
            "branch_aligned_reduced_polarization": [
              0.2689239502295816,
              0.2645020907558765,
              -0.024227048866605965
            ],
            "target_residual": 0.3308207308084534,
            "energy_eV": -170.0722097716587,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0014559186707133556,
            "step_scale": 0.4808456016532201,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0105014842116096,
              0.9989787338087711,
              0.9925866875430286
            ],
            "cell_volume_ratio": 1.0019859804406548,
            "cell_rmsd_from_input_A": 0.055301806834924444
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.34488042787150736,
              0.3646176949007354,
              0.022555599045689982
            ],
            "branch_aligned_reduced_polarization": [
              0.34488042787150736,
              0.3646176949007354,
              0.022555599045689982
            ],
            "target_residual": 0.20712123319357414,
            "energy_eV": -153.31810367519384,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.008799095138891056,
            "step_scale": 0.6562177698651989,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.4713019363156892,
            "cell_principal_stretches": [
              1.004545606642424,
              0.9955165683990468,
              0.9844344218900585
            ],
            "cell_volume_ratio": 0.9844755664497806,
            "cell_rmsd_from_input_A": 0.10788077528935724
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.3988944050603018,
              0.4466907147189702,
              0.01381316634493312
            ],
            "branch_aligned_reduced_polarization": [
              0.3988944050603018,
              0.4466907147189702,
              0.01381316634493312
            ],
            "target_residual": 0.11513046855527574,
            "energy_eV": -143.67765584616046
          }
        ],
        "iterations": 5
      },
      "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": [
          0.5,
          0.5,
          0.0
        ],
        "formal_class": [
          0.5,
          0.5,
          0.0
        ],
        "target_residual": 0.11513046855527574,
        "parent_symmetrization_rmsd_A": 0.14509007288126555,
        "parent_cell_rmsd_A": 0.10788077528935724,
        "energy_eV": -143.67765584616046,
        "reduced_polarization": [
          0.3988944050603018,
          0.4466907147189702,
          0.01381316634493312
        ],
        "cartesian_polarization_e_A2": [
          0.005895052563470419,
          0.010433377038695749,
          -0.0010901356851590596
        ],
        "ranking_score": 0.9023212038141564
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 5,
      "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.234747484517372e-16,
              0.008046966319969207,
              -5.551115123125783e-17
            ],
            "target_residual": 0.7014397959532845,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0008712706998000736,
            "step_scale": 0.22963609521791012,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0011274617681327,
              0.9998542898627045,
              0.9992878582223653
            ],
            "cell_volume_ratio": 1.0002687465412339,
            "cell_rmsd_from_input_A": 0.005802867028413364
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.00344817858241023,
              0.11126796294209458,
              -0.1059499830280618
            ],
            "branch_aligned_reduced_polarization": [
              0.00344817858241023,
              0.11126796294209457,
              -0.1059499830280618
            ],
            "target_residual": 0.5535340120049622,
            "energy_eV": -184.34188848514464,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.001149686747019627,
            "step_scale": 0.23514463362588953,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.002685849611421,
              0.9996644093968584,
              0.998278169568728
            ],
            "cell_volume_ratio": 1.0006234820355993,
            "cell_rmsd_from_input_A": 0.013857741844737642
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.014734677330059169,
              0.18115654056807973,
              -0.17706590280660722
            ],
            "branch_aligned_reduced_polarization": [
              0.014734677330059169,
              0.18115654056807973,
              -0.17706590280660722
            ],
            "target_residual": 0.4540536240012265,
            "energy_eV": -178.15942269263556,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.002060790040656335,
            "step_scale": 0.21391220676372652,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0056928270635555,
              0.9993300600494043,
              0.9962593543682748
            ],
            "cell_volume_ratio": 1.0012596530544846,
            "cell_rmsd_from_input_A": 0.029496369093151314
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.009382907350863624,
              0.26560470689364146,
              -0.24906362543743776
            ],
            "branch_aligned_reduced_polarization": [
              0.009382907350863624,
              0.26560470689364146,
              -0.24906362543743776
            ],
            "target_residual": 0.3435087429154797,
            "energy_eV": -168.47203238672995,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00029013578971363754,
            "step_scale": 0.4760047866129369,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0061106333737164,
              0.9992817483626534,
              0.9959829024981911
            ],
            "cell_volume_ratio": 1.0013492511698634,
            "cell_rmsd_from_input_A": 0.03166013092257099
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.0408685880084729,
              0.37661394201817394,
              -0.3653884689996251
            ],
            "branch_aligned_reduced_polarization": [
              -0.0408685880084729,
              0.37661394201817394,
              -0.3653884689996251
            ],
            "target_residual": 0.18712195239566554,
            "energy_eV": -144.5059642656959,
            "max_atomic_step_A": 0.10215733160406497,
            "max_log_strain_component": 0.009103749987741081,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.3673772229157746,
            "cell_principal_stretches": [
              1.0098913983893254,
              0.9912255149207172,
              0.9873965378153958
            ],
            "cell_volume_ratio": 0.9884136761019687,
            "cell_rmsd_from_input_A": 0.09058607526635314
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.04376510731872806,
              0.37343784383339884,
              -0.42298897658467394
            ],
            "branch_aligned_reduced_polarization": [
              0.04376510731872806,
              0.37343784383339884,
              -0.42298897658467394
            ],
            "target_residual": 0.1544799719045638,
            "energy_eV": -151.58893242251077
          }
        ],
        "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": [
          0.0,
          0.5,
          -0.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 0.1544799719045638,
        "parent_symmetrization_rmsd_A": 0.14242026843466865,
        "parent_cell_rmsd_A": 0.09058607526635314,
        "energy_eV": -151.58893242251077,
        "reduced_polarization": [
          0.04376510731872806,
          0.37343784383339884,
          -0.42298897658467394
        ],
        "cartesian_polarization_e_A2": [
          0.0005247720493027472,
          0.008765607249433044,
          -0.008661515226100222
        ],
        "ranking_score": 0.9740267310603845
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 6,
      "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.106226635438361e-16,
              0.008046966319969208,
              -5.551115123125783e-17
            ],
            "target_residual": 0.7071525674611908,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0006131462012325685,
            "step_scale": 0.2409569407262269,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0006373165210172,
              1.0000022020139157,
              0.999356279711769
            ],
            "cell_volume_ratio": 0.9999953879781229,
            "cell_rmsd_from_input_A": 0.0038681285200676736
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.11042526026382263,
              0.005810484648537998,
              -0.10875614276038884
            ],
            "branch_aligned_reduced_polarization": [
              0.1104252602638226,
              0.005810484648537998,
              -0.10875614276038881
            ],
            "target_residual": 0.5521539598699718,
            "energy_eV": -184.54584922670202,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0007231618113615536,
            "step_scale": 0.22354890837072772,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0013917742670846,
              1.0000031169345296,
              0.9986005236705205
            ],
            "cell_volume_ratio": 0.9999934670869141,
            "cell_rmsd_from_input_A": 0.008428042726279039
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.1801844301653707,
              0.004527752080216423,
              -0.17030093539652255
            ],
            "branch_aligned_reduced_polarization": [
              0.18018443016537067,
              0.004527752080216423,
              -0.17030093539652258
            ],
            "target_residual": 0.4593516871069013,
            "energy_eV": -179.05179078221678,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0014100280960297256,
            "step_scale": 0.19024930062524228,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.002864070682087,
              1.0000051892895274,
              0.9971280850082103
            ],
            "cell_volume_ratio": 0.9999891195289055,
            "cell_rmsd_from_input_A": 0.01731957761556231
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.22880773586935169,
              0.0032480622660037103,
              -0.23892580204313657
            ],
            "branch_aligned_reduced_polarization": [
              0.22880773586935166,
              0.0032480622660037103,
              -0.23892580204313657
            ],
            "target_residual": 0.37645123305895906,
            "energy_eV": -171.52016741803806,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.002325485429166443,
            "step_scale": 0.3335939780773067,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.005311904101803,
              1.0000016392644588,
              0.9947111347733699
            ],
            "cell_volume_ratio": 0.999996584186454,
            "cell_rmsd_from_input_A": 0.032013876416791064
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.31688370894849105,
              0.008903274011739504,
              -0.3285201572901492
            ],
            "branch_aligned_reduced_polarization": [
              0.31688370894849105,
              0.008903274011739504,
              -0.3285201572901492
            ],
            "target_residual": 0.2510302388007951,
            "energy_eV": -149.641855337677,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016231335095188933,
            "step_scale": 0.7360912025688778,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.3105855925276324,
            "cell_principal_stretches": [
              1.0019708393178686,
              0.9929102744520802,
              0.9769151567312366
            ],
            "cell_volume_ratio": 0.971900789035471,
            "cell_rmsd_from_input_A": 0.10594366466139672
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.4066302814274724,
              0.003520984911994555,
              -0.40409342463593584
            ],
            "branch_aligned_reduced_polarization": [
              0.4066302814274724,
              0.003520984911994555,
              -0.40409342463593584
            ],
            "target_residual": 0.13389687404538772,
            "energy_eV": -149.5121862556004
          }
        ],
        "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,
          0.0,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.0,
          0.5
        ],
        "target_residual": 0.13389687404538772,
        "parent_symmetrization_rmsd_A": 0.13922132120119504,
        "parent_cell_rmsd_A": 0.10594366466139672,
        "energy_eV": -149.5121862556004,
        "reduced_polarization": [
          0.4066302814274724,
          0.003520984911994555,
          -0.40409342463593584
        ],
        "cartesian_polarization_e_A2": [
          0.0059041355237275765,
          0.00011446858500067533,
          -0.009724137776829888
        ],
        "ranking_score": 0.9335009854573196
      },
      "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": [
              6.234747484517372e-16,
              0.008046966319969208,
              -6.745511440125852e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.106226635438361e-16,
              0.008046966319969207,
              -5.551115123125783e-17
            ],
            "target_residual": 0.8614045433749377,
            "energy_eV": -186.14641402878726,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.0007108572589430562,
            "step_scale": 0.18735679420689424,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0010320649628413,
              0.9998854372458167,
              0.9993025169090373
            ],
            "cell_volume_ratio": 1.0002192610216816,
            "cell_rmsd_from_input_A": 0.0053940862611477364
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.08941565676245665,
              0.09523205929489206,
              -0.08669605860772187
            ],
            "branch_aligned_reduced_polarization": [
              0.08941565676245666,
              0.09523205929489209,
              -0.0866960586077219
            ],
            "target_residual": 0.7093918076104702,
            "energy_eV": -184.5519431437896,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0007869665328088536,
            "step_scale": 0.18964259256717386,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0021445623989493,
              0.999757952239856,
              0.9985627917221931
            ],
            "cell_volume_ratio": 1.0004620537107218,
            "cell_rmsd_from_input_A": 0.011179714999604549
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.16102771372829333,
              0.16204841627149807,
              -0.1448286229770925
            ],
            "branch_aligned_reduced_polarization": [
              0.16102771372829333,
              0.16204841627149807,
              -0.14482862297709254
            ],
            "target_residual": 0.5960370717172035,
            "energy_eV": -179.46319489474203,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.0011263709712911077,
            "step_scale": 0.1803868768227091,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.003590847213053,
              0.9995717672504737,
              0.9976559938820131
            ],
            "cell_volume_ratio": 1.0008096610439343,
            "cell_rmsd_from_input_A": 0.018590298775439294
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.23270219892558708,
              0.22610821497457,
              -0.19015665490124245
            ],
            "branch_aligned_reduced_polarization": [
              0.23270219892558708,
              0.22610821497457,
              -0.19015665490124245
            ],
            "target_residual": 0.4924101165346022,
            "energy_eV": -170.6834371270638,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0008556490931586979,
            "step_scale": 0.2334402713847086,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.3203973331887401,
            "cell_principal_stretches": [
              1.0046126090942786,
              0.9994270699608565,
              0.9970486803329764
            ],
            "cell_volume_ratio": 1.0010738021010182,
            "cell_rmsd_from_input_A": 0.023761532111600182
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.25422716118757016,
              0.2644612272975528,
              -0.30219583701048
            ],
            "branch_aligned_reduced_polarization": [
              0.25422716118757016,
              0.2644612272975528,
              -0.30219583701048
            ],
            "target_residual": 0.3937121901085618,
            "energy_eV": -154.5063977712266,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.010309774170230528,
            "step_scale": 0.34614267270967264,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.3645232062508492,
            "cell_principal_stretches": [
              1.002383829819391,
              0.9937948691830292,
              0.9831644694523639
            ],
            "cell_volume_ratio": 0.9793929591393474,
            "cell_rmsd_from_input_A": 0.09810437656246164
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.24895748206987406,
              0.3148247201813068,
              -0.38216205272417686
            ],
            "branch_aligned_reduced_polarization": [
              0.24895748206987406,
              0.3148247201813068,
              -0.38216205272417686
            ],
            "target_residual": 0.3334636590137051,
            "energy_eV": -141.05884392652052
          }
        ],
        "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": 0.3334636590137051,
        "parent_symmetrization_rmsd_A": 0.14708165645070045,
        "parent_cell_rmsd_A": 0.09810437656246164,
        "energy_eV": -141.05884392652052,
        "reduced_polarization": [
          0.24895748206987406,
          0.3148247201813068,
          -0.38216205272417686
        ],
        "cartesian_polarization_e_A2": [
          0.0035951096030598893,
          0.0073862835770557075,
          -0.0086241977122976
        ],
        "ranking_score": 1.338535068618726
      },
      "branch_status": "awaiting_branch_sampling"
    }
  ],
  "sampled_polarization_branches": [
    {
      "orbit_id": 0,
      "candidate_id": "inversion_parent_endpoint_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,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37
        ],
        "endpoint_rmsd_A": 0.06056885553507989,
        "minimum_distance_A_by_image": [
          1.0365724063933075,
          1.0365669168467206,
          1.0365621592161625,
          1.036558133511711,
          1.0365548397418944,
          1.03655227791369,
          1.0365504480325247,
          1.036549350102275,
          1.0365489841252666
        ],
        "minimum_distance_A": 1.0365489841252666,
        "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": [
          382.8990960153597,
          382.8990960153597,
          382.8990960153597,
          382.8990960153597,
          382.8990960153597,
          382.8990960153597,
          382.8990960153597,
          382.8990960153597,
          382.8990960153597
        ],
        "cell_deformation_log_strain_norm": 0.0
      },
      "parent_reduced_polarization": [
        -3.986760841693379e-16,
        -2.187856648784606e-15,
        -1.3738799371028093e-15
      ],
      "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": [
          -186.1464140287873,
          -186.14798974604295,
          -186.14909073244354,
          -186.1498109268146,
          -186.1502410947278,
          -186.15046651559862,
          -186.15056144416397,
          -186.1505876908718,
          -186.1505903108265
        ],
        "cartesian_polarizations_e_A2": [
          [
            2.029662972112199e-18,
            0.00018775005897434988,
            3.1894703847477415e-18
          ],
          [
            -2.6766180444729625e-17,
            0.00016450062188731087,
            1.920931027177617e-18
          ],
          [
            1.1000048429215222e-17,
            0.00014121589626192162,
            7.611236145420746e-19
          ],
          [
            1.462444659370129e-17,
            0.00011787166690577658,
            -8.626067631476845e-18
          ],
          [
            -5.327865301794523e-18,
            9.444846698039739e-05,
            -2.9901284857010073e-17
          ],
          [
            -3.080738439813159e-19,
            7.093698229505069e-05,
            2.9901284857010073e-17
          ],
          [
            1.148934218142084e-17,
            4.734499951766336e-05,
            -1.4352616731364837e-17
          ],
          [
            3.343507306738399e-17,
            2.3690901360297905e-05,
            -3.696886127775791e-18
          ],
          [
            -5.817159054000142e-18,
            -5.104659302690716e-17,
            -2.6095666784299702e-17
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.538828133669412e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.651425817625712e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.1113686700556835e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730509e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.2578233067512897e-16
          ],
          [
            -3.986760841693379e-16,
            -2.187856648784606e-15,
            -1.3738799371028093e-15
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.53882813366941e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.6514258176257123e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.111368670055681e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730507e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.257823306751289e-16
          ],
          [
            -3.9867608416933806e-16,
            -2.187919984075748e-15,
            -1.3738799371028093e-15
          ]
        ],
        "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": [
          [
            1.1102230246251565e-16,
            0.008046966319969928,
            2.220446049250313e-16
          ],
          [
            -1.8318679906315083e-15,
            0.0070504955959674875,
            -2.220446049250313e-16
          ],
          [
            7.771561172376096e-16,
            0.0060525124054384705,
            2.220446049250313e-16
          ],
          [
            9.992007221626409e-16,
            0.0050519788853918834,
            -2.7755575615628914e-16
          ],
          [
            -3.885780586188048e-16,
            0.004048060687255939,
            -1.5543122344752192e-15
          ],
          [
            0.0,
            0.003040358604875615,
            1.4432899320127035e-15
          ],
          [
            7.771561172376096e-16,
            0.002029206374788317,
            -5.551115123125783e-16
          ],
          [
            2.3314683517128287e-15,
            0.0010153918799146178,
            2.220446049250313e-16
          ],
          [
            -3.885780586188048e-16,
            -2.1649348980190553e-15,
            -1.3877787807814457e-15
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -186.15059031082652,
          -186.1505876908718,
          -186.1505614441639,
          -186.15046651559865,
          -186.15024109472785,
          -186.14981092681464,
          -186.1490907324435,
          -186.14798974604292,
          -186.14641402878732
        ],
        "cartesian_polarizations_e_A2": [
          [
            -5.8896470172898635e-18,
            -4.902945563383926e-17,
            -2.326863621600057e-17
          ],
          [
            1.6998427391439666e-17,
            -2.3690901360304048e-05,
            -3.2619583480374628e-18
          ],
          [
            6.4333067419627735e-18,
            -4.734499951770279e-05,
            3.5736565901832645e-17
          ],
          [
            1.9897945923028523e-17,
            -7.093698229508857e-05,
            -1.4860032474392885e-17
          ],
          [
            -1.9626116060692067e-17,
            -9.44484669804519e-05,
            -2.2217560748299606e-17
          ],
          [
            -3.696886127775791e-18,
            -0.00011787166690579277,
            -3.450427052590738e-17
          ],
          [
            2.379417394985105e-17,
            -0.0001412158962619845,
            9.314703282729199e-18
          ],
          [
            -1.6327913731009744e-17,
            -0.00016450062188734928,
            -3.2982023296823235e-18
          ],
          [
            -1.5856741969626554e-17,
            -0.00018775005897436498,
            6.161476879626318e-19
          ]
        ],
        "raw_reduced_polarization": [
          [
            -4.036440104518219e-16,
            -2.1014021530926134e-15,
            -1.2336659641107636e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829931e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.53364240406682e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483005e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -4.036440104518219e-16,
            -2.1014021530926134e-15,
            -1.2336659641107636e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829929e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.533642404066821e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -9.36454104248227e-16,
          -0.008046966319974296,
          -2.931860826830845e-15
        ],
        "actual_opposite_endpoint_branch_residual": 4.647029564318047e-15
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.538828133669412e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.651425817625712e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.1113686700556835e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730509e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.2578233067512897e-16
          ],
          [
            -3.986760841693379e-16,
            -2.187856648784606e-15,
            -1.3738799371028093e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829931e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.53364240406682e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483005e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.3910193590955093e-16,
            0.008046966319969921,
            1.8410095262522642e-16
          ],
          [
            -1.8344067798072027e-15,
            0.0070504955959675274,
            -2.325862069641695e-16
          ],
          [
            7.53882813366941e-16,
            0.00605251240543843,
            1.7297775815896432e-16
          ],
          [
            1.0022791274911393e-15,
            0.005051978885391888,
            -2.5108106437398773e-16
          ],
          [
            -3.6514258176257123e-16,
            0.0040480606872559345,
            -1.5578225555105365e-15
          ],
          [
            -2.111368670055681e-17,
            0.0030403586048756504,
            1.4886604850949955e-15
          ],
          [
            7.874163157737078e-16,
            0.0020292063747882954,
            -5.753789294730507e-16
          ],
          [
            2.2914559977957273e-15,
            0.001015391879914625,
            2.257823306751289e-16
          ],
          [
            -3.9867608416933806e-16,
            -2.187919984075748e-15,
            -1.3738799371028093e-15
          ],
          [
            1.164978713242489e-15,
            -0.0010153918799148882,
            4.578639090138024e-17
          ],
          [
            4.409034575704516e-16,
            -0.0020292063747899855,
            1.8626402381747902e-15
          ],
          [
            1.3636957645418474e-15,
            -0.003040358604877274,
            -4.975180613829929e-16
          ],
          [
            -1.3450660409825325e-15,
            -0.00404806068725827,
            -1.349773047492121e-15
          ],
          [
            -2.533642404066821e-16,
            -0.005051978885392581,
            -1.7675532789304731e-15
          ],
          [
            1.6307218022253603e-15,
            -0.0060525124054411255,
            7.56910920408097e-16
          ],
          [
            -1.1190253951295124e-15,
            -0.007050495595969172,
            -3.6499062692483e-16
          ],
          [
            -1.0867338742933665e-15,
            -0.008046966319970567,
            -1.63834487998329e-16
          ]
        ],
        "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": [
          [
            1.1102230246251565e-16,
            0.008046966319969928,
            2.220446049250313e-16
          ],
          [
            -1.8318679906315083e-15,
            0.0070504955959674875,
            -2.220446049250313e-16
          ],
          [
            7.771561172376096e-16,
            0.0060525124054384705,
            2.220446049250313e-16
          ],
          [
            9.992007221626409e-16,
            0.0050519788853918834,
            -2.7755575615628914e-16
          ],
          [
            -3.885780586188048e-16,
            0.004048060687255939,
            -1.5543122344752192e-15
          ],
          [
            0.0,
            0.003040358604875615,
            1.4432899320127035e-15
          ],
          [
            7.771561172376096e-16,
            0.002029206374788317,
            -5.551115123125783e-16
          ],
          [
            2.3314683517128287e-15,
            0.0010153918799146178,
            2.220446049250313e-16
          ],
          [
            -3.885780586188048e-16,
            -2.1649348980190553e-15,
            -1.3877787807814457e-15
          ],
          [
            1.1102230246251565e-15,
            -0.0010153918799148953,
            0.0
          ],
          [
            4.440892098500626e-16,
            -0.0020292063747899824,
            1.887379141862766e-15
          ],
          [
            1.3322676295501878e-15,
            -0.00304035860487728,
            -4.996003610813204e-16
          ],
          [
            -1.3322676295501878e-15,
            -0.00404806068725827,
            -1.3322676295501878e-15
          ],
          [
            -2.7755575615628914e-16,
            -0.005051978885392605,
            -1.7763568394002505e-15
          ],
          [
            1.6653345369377348e-15,
            -0.006052512405441135,
            7.771561172376096e-16
          ],
          [
            -1.1102230246251565e-15,
            -0.007050495595969153,
            -3.885780586188048e-16
          ],
          [
            -1.1102230246251565e-15,
            -0.008046966319970594,
            -1.6653345369377348e-16
          ]
        ]
      },
      "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": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "P2_1/m",
        "spacegroup_number": 11,
        "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": 2.721500410227004e-15,
        "parent_symmetrization_rmsd_A": 0.06056885553507989,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -186.15059031082652,
        "reduced_polarization": [
          1.4382146587791069e-15,
          -2.0838008487702115e-15,
          -9.979364212229127e-16
        ],
        "cartesian_polarization_e_A2": [
          2.0985265372374344e-17,
          -4.861878584933234e-17,
          -2.5153323261533323e-17
        ],
        "ranking_score": 0.06056885553508533
      }
    }
  ],
  "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": 155,
      "full_response": 37,
      "energy_polarization": 118
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 180,
      "full_response": 62,
      "energy_polarization": 118
    },
    "elapsed_seconds": 2655.7815185569925
  }
}
