{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 8,
  "input_formula": "Br4Cl4",
  "input_spacegroup": "Cmc2_1",
  "input_pointgroup": "mm2",
  "input_is_polar_point_group": true,
  "input_energy_eV": -16.181815294733383,
  "input_cartesian_polarization_e_A2": [
    -7.7392432018625935e-19,
    -1.30636385364126e-18,
    -0.0009323308475158482
  ],
  "input_reduced_polarization": [
    -3.0606415148982703e-17,
    -8.241997697147264e-17,
    -0.03795267874449138
  ],
  "input_formal_targets": [
    {
      "orbit_id": 0,
      "representative_formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 1,
      "representative_formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        -0.5
      ]
    },
    {
      "orbit_id": 2,
      "representative_formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 3,
      "representative_formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 4,
      "representative_formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ]
    },
    {
      "orbit_id": 5,
      "representative_formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        -0.5
      ]
    },
    {
      "orbit_id": 6,
      "representative_formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 7,
      "representative_formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        -0.5
      ]
    }
  ],
  "parent_candidates": [
    {
      "candidate_id": "inversion_parent_endpoint_00",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "Cmcm",
      "spacegroup_number": 63,
      "pointgroup": "mmm",
      "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": 7.195987047824338e-15,
      "parent_symmetrization_rmsd_A": 0.01900186086305382,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -16.165812741950887,
      "reduced_polarization": [
        -2.7283131581275293e-17,
        -7.176032661649551e-15,
        5.348275068894714e-16
      ],
      "cartesian_polarization_e_A2": [
        -6.898906310591742e-19,
        -1.137407461903657e-16,
        1.3138365966998396e-17
      ],
      "ranking_score": 0.01900186086306821
    },
    {
      "candidate_id": "symmetry_projection_00",
      "source": "spglib_refine_cell_from_polar_endpoint",
      "spacegroup": "Cmcm",
      "spacegroup_number": 63,
      "pointgroup": "mmm",
      "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": 1.5791006585210337e-16,
      "parent_symmetrization_rmsd_A": 0.02528462321975352,
      "parent_cell_rmsd_A": 3.3301462009444935e-16,
      "energy_eV": -16.222282764432375,
      "reduced_polarization": [
        5.264150379237707e-19,
        7.417797927432541e-17,
        1.3940207737118274e-16
      ],
      "cartesian_polarization_e_A2": [
        1.331111135942752e-20,
        1.1757274682771344e-18,
        3.4244975912223034e-18
      ],
      "ranking_score": 0.02528462321975392
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cmc2_1",
      "spacegroup_number": 36,
      "pointgroup": "mm2",
      "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": 0.0004311963764761547,
      "parent_symmetrization_rmsd_A": 0.018756554831687602,
      "parent_cell_rmsd_A": 0.004810297941549802,
      "energy_eV": -16.175025077972798,
      "reduced_polarization": [
        -3.6421440976725053e-16,
        -1.9203870601485346e-14,
        0.0004311963764761547
      ],
      "cartesian_polarization_e_A2": [
        -9.223282259241423e-18,
        -3.0460294442206494e-16,
        1.0597799036065046e-05
      ],
      "ranking_score": 0.5208215220700274
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "Cmcm",
      "spacegroup_number": 63,
      "pointgroup": "mmm",
      "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": 2.540537474019959e-15,
      "parent_symmetrization_rmsd_A": 0.01904719064075607,
      "parent_cell_rmsd_A": 0.004810297941549802,
      "energy_eV": -16.17632998852735,
      "reduced_polarization": [
        -7.280059847507619e-16,
        -2.111095172121901e-15,
        -1.2114516570257308e-15
      ],
      "cartesian_polarization_e_A2": [
        -1.8433423250592583e-17,
        -3.3486267007750626e-17,
        -2.9774650028342e-17
      ],
      "ranking_score": 0.0202497651261486
    },
    {
      "candidate_id": "symmetry_parent_00_00",
      "source": "spglib_refine_cell_after_MACEField_BEC_backprojection",
      "spacegroup": "Cmcm",
      "spacegroup_number": 63,
      "pointgroup": "mmm",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 5.390235277340893e-16,
      "parent_symmetrization_rmsd_A": 0.021867055429613858,
      "parent_cell_rmsd_A": 0.004810297941548844,
      "energy_eV": -16.208990596803794,
      "reduced_polarization": [
        3.5597434023053923e-19,
        4.920391091273704e-16,
        2.2009941349834482e-16
      ],
      "cartesian_polarization_e_A2": [
        9.013422715290542e-21,
        7.80474191977521e-18,
        5.409529113564415e-18
      ],
      "ranking_score": 0.023069629915002148
    },
    {
      "candidate_id": "bec_projection_01",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cmc2_1",
      "spacegroup_number": 36,
      "pointgroup": "mm2",
      "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": 0.3833768708745176,
      "parent_symmetrization_rmsd_A": 0.19873794968463296,
      "parent_cell_rmsd_A": 0.1402382315331013,
      "energy_eV": -15.88859920073769,
      "reduced_polarization": [
        -4.984752860155042e-16,
        -1.443382256956361e-13,
        -0.11662312912548241
      ],
      "cartesian_polarization_e_A2": [
        -8.566007470054673e-18,
        -2.1875973012826716e-15,
        -0.002845452598202971
      ],
      "ranking_score": 1.5005512493169435
    },
    {
      "candidate_id": "bec_projection_02",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cm",
      "spacegroup_number": 8,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_residual": 0.22944776082169988,
      "parent_symmetrization_rmsd_A": 0.30243575258192584,
      "parent_cell_rmsd_A": 0.2989427295389859,
      "energy_eV": -14.998300169249875,
      "reduced_polarization": [
        -2.3413180624066515e-16,
        -0.271329720749327,
        0.018872687501021498
      ],
      "cartesian_polarization_e_A2": [
        -4.767461464187355e-16,
        -0.004385208884859805,
        0.00023375467312607658
      ],
      "ranking_score": 1.336066956610072
    },
    {
      "candidate_id": "bec_projection_03",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cc",
      "spacegroup_number": 9,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ],
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_residual": 0.4574023625018821,
      "parent_symmetrization_rmsd_A": 0.2181415264578389,
      "parent_cell_rmsd_A": 0.125437737665982,
      "energy_eV": -15.017082100141225,
      "reduced_polarization": [
        0.04259789417313107,
        6.021228577659574e-13,
        0.0004845693438016607
      ],
      "cartesian_polarization_e_A2": [
        0.0010645240509877761,
        1.1561125192783576e-14,
        8.572499824103032e-06
      ],
      "ranking_score": 1.6643056858780987
    },
    {
      "candidate_id": "bec_projection_04",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cm",
      "spacegroup_number": 8,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 0.5160282971856879,
      "parent_symmetrization_rmsd_A": 0.18230492557186495,
      "parent_cell_rmsd_A": 0.22923055923274419,
      "energy_eV": -15.764788802870596,
      "reduced_polarization": [
        1.4662035833267136e-14,
        -0.13355729717628934,
        -0.13667514667502537
      ],
      "cartesian_polarization_e_A2": [
        2.8802833345721957e-16,
        -0.0021456787325302524,
        -0.003362600004653286
      ],
      "ranking_score": 1.7716691597514267
    },
    {
      "candidate_id": "bec_projection_05",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cc",
      "spacegroup_number": 9,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        0.0,
        -0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 0.6418809010310638,
      "parent_symmetrization_rmsd_A": 0.2171840658133768,
      "parent_cell_rmsd_A": 0.12935518327168438,
      "energy_eV": -15.032585122888477,
      "reduced_polarization": [
        0.04212696710542127,
        1.528715049206287e-13,
        -0.05015182910634129
      ],
      "cartesian_polarization_e_A2": [
        0.0010516105898621228,
        4.300606789713872e-15,
        -0.0012467354763937488
      ],
      "ranking_score": 2.0332846636934256
    },
    {
      "candidate_id": "bec_projection_06",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 0.6400248008478548,
      "parent_symmetrization_rmsd_A": 0.22543756915500293,
      "parent_cell_rmsd_A": 0.13210650982829367,
      "energy_eV": -15.007149877971987,
      "reduced_polarization": [
        0.04318753028585795,
        -0.05172409049489949,
        -0.0016799319561567867
      ],
      "cartesian_polarization_e_A2": [
        0.0010795890231039206,
        -0.0008346816584344757,
        -5.165394230224641e-05
      ],
      "ranking_score": 2.038513798307786
    },
    {
      "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": 0.7852329250395195,
      "parent_symmetrization_rmsd_A": 0.22335609013272462,
      "parent_cell_rmsd_A": 0.13664204203233196,
      "energy_eV": -15.027244079422857,
      "reduced_polarization": [
        0.042459786433978124,
        -0.04948700609164042,
        -0.04802019751342309
      ],
      "cartesian_polarization_e_A2": [
        0.0010599076175692183,
        -0.0008059360989219772,
        -0.0012005532605016004
      ],
      "ranking_score": 2.3279824507198468
    }
  ],
  "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": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "target_residual": 0.03795267874449138,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.01587015624228274,
            "max_log_strain_component": 0.0008051161872558337,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.00005158064734,
              0.9994582140742367,
              0.9991952078318183
            ],
            "cell_volume_ratio": 0.9987053691435854,
            "cell_rmsd_from_input_A": 0.004810297941549802
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -3.6421440976725053e-16,
              -1.9203870601485346e-14,
              0.0004311963764761547
            ],
            "branch_aligned_reduced_polarization": [
              -3.6421440976725053e-16,
              -1.9203870601485346e-14,
              0.0004311963764761547
            ],
            "target_residual": 0.0004311963764761547,
            "energy_eV": -16.175025077972798
          }
        ],
        "iterations": 1
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "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": 7.195987047824338e-15,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 0.01900186086306821
      },
      "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": [
          -16.181815294733376,
          -16.178132772381254,
          -16.17490778736476,
          -16.172154488265683,
          -16.169884994801926,
          -16.16810932537345,
          -16.16683533646313,
          -16.166068674663492,
          -16.16581274195088
        ],
        "cartesian_polarizations_e_A2": [
          [
            2.6390900010982007e-19,
            -2.0679739803141147e-16,
            -0.0009323308475157775
          ],
          [
            7.051471843811435e-18,
            -6.3140919592660904e-18,
            -0.000819056182582225
          ],
          [
            9.582710619442911e-21,
            -1.262818391853218e-18,
            -0.000704488055113445
          ],
          [
            3.9336394316948665e-19,
            1.0394301728805627e-16,
            -0.0005888018370440717
          ],
          [
            2.5955471395511943e-18,
            2.7215913617526253e-17,
            -0.00047217720994789295
          ],
          [
            1.0381316717062621e-17,
            1.3163793098525097e-16,
            -0.00035479747454736447
          ],
          [
            -4.167300884428769e-18,
            7.907855860708427e-17,
            -0.0002368488444129942
          ],
          [
            1.3113357066821032e-17,
            -1.712643012123692e-16,
            -0.00011851972765387251
          ],
          [
            -7.709959785891201e-18,
            -2.003091242249932e-18,
            5.3040271233579464e-18
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.983632220287845e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516166e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.717082853572347e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100377e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960064e-14,
            -0.004824619029303943
          ],
          [
            -3.0490607910106285e-16,
            -1.2637729802292474e-16,
            2.1591266448088974e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.9836322202878443e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516396e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.7170828535723473e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100374e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960066e-14,
            -0.004824619029303943
          ],
          [
            -3.049060791010628e-16,
            -1.2637729802292444e-16,
            2.1597307275911248e-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
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.0,
            -1.304512053934559e-14,
            -0.03795267874448849
          ],
          [
            3.3306690738754696e-16,
            -3.885780586188048e-16,
            -0.033341572097564054
          ],
          [
            0.0,
            -5.551115123125783e-17,
            -0.02867781207314135
          ],
          [
            0.0,
            6.5503158452884236e-15,
            -0.023968537590536132
          ],
          [
            1.1102230246251565e-16,
            1.6653345369377348e-15,
            -0.019221063002871408
          ],
          [
            4.440892098500626e-16,
            8.326672684688674e-15,
            -0.014442849989069029
          ],
          [
            -1.6653345369377348e-16,
            4.9960036108132044e-15,
            -0.009641478802252745
          ],
          [
            5.551115123125783e-16,
            -1.0824674490095276e-14,
            -0.004824619029303923
          ],
          [
            -2.7755575615628914e-16,
            -1.1102230246251565e-16,
            2.220446049250313e-16
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -16.16581274195088,
          -16.166068674663492,
          -16.166835336463116,
          -16.168109325373436,
          -16.16988499480193,
          -16.17215448826568,
          -16.174907787364756,
          -16.178132772381257,
          -16.181815294733383
        ],
        "cartesian_polarizations_e_A2": [
          [
            -7.899519562706574e-18,
            1.6020375391820653e-16,
            -2.774431011883643e-17
          ],
          [
            2.133134355251879e-18,
            -1.5201720710205464e-16,
            0.00011851972765382795
          ],
          [
            -4.203339278093345e-18,
            -3.1222096102026116e-17,
            0.00023684884441297979
          ],
          [
            -2.6044461465878546e-17,
            -3.984409753605843e-17,
            0.00035479747454736306
          ],
          [
            8.371851575899923e-18,
            4.768228065790599e-17,
            0.0004721772099478927
          ],
          [
            -4.490784311472305e-18,
            -2.0644903433710712e-16,
            0.0005888018370440241
          ],
          [
            -5.177068589686558e-18,
            1.3782138655915295e-16,
            0.000704488055113454
          ],
          [
            4.702964258062226e-17,
            1.3681984093802797e-16,
            0.0008190561825822515
          ],
          [
            -2.5523399919508575e-17,
            -2.3775822136270934e-17,
            0.0009323308475158083
          ]
        ],
        "raw_reduced_polarization": [
          [
            -3.1240260695712445e-16,
            1.0107436509268264e-14,
            -1.1293961706118938e-15
          ],
          [
            8.435914719630968e-17,
            -9.590937986913702e-15,
            0.00482461902930213
          ],
          [
            -1.6622962168495797e-16,
            -1.969837449618196e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.3108193942786423e-16,
            3.0083291594587514e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412167e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490365e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244235e-15,
            -1.500043580880802e-15,
            0.03795267874448976
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -3.1240260695712445e-16,
            1.0107436509268264e-14,
            -1.1293961706118938e-15
          ],
          [
            8.435914719630966e-17,
            -9.5909379869137e-15,
            0.00482461902930213
          ],
          [
            -1.66229621684958e-16,
            -1.9698374496181954e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.310819394278643e-16,
            3.0083291594587518e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412171e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490366e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244237e-15,
            -1.5000435808808026e-15,
            0.03795267874448976
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -6.202489776794747e-16,
          1.2794327758538271e-14,
          0.03795267874448894
        ],
        "actual_opposite_endpoint_branch_residual": 1.4323089302830955e-14
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.983632220287845e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516166e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.717082853572347e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100377e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960064e-14,
            -0.004824619029303943
          ],
          [
            -3.0490607910106285e-16,
            -1.2637729802292474e-16,
            2.1591266448088974e-16
          ],
          [
            8.435914719630968e-17,
            -9.590937986913702e-15,
            0.00482461902930213
          ],
          [
            -1.6622962168495797e-16,
            -1.969837449618196e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.3108193942786423e-16,
            3.0083291594587514e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412167e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490365e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244235e-15,
            -1.500043580880802e-15,
            0.03795267874448976
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.9836322202878443e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516396e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.7170828535723473e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100374e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960066e-14,
            -0.004824619029303943
          ],
          [
            -3.049060791010628e-16,
            -1.2637729802292444e-16,
            2.1597307275911248e-16
          ],
          [
            8.435914719630966e-17,
            -9.590937986913702e-15,
            0.00482461902930213
          ],
          [
            -1.66229621684958e-16,
            -1.969837449618197e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.310819394278643e-16,
            3.0083291594587518e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412171e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490366e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244237e-15,
            -1.5000435808808026e-15,
            0.03795267874448976
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.0,
            -1.304512053934559e-14,
            -0.03795267874448849
          ],
          [
            3.3306690738754696e-16,
            -3.885780586188048e-16,
            -0.033341572097564054
          ],
          [
            0.0,
            -5.551115123125783e-17,
            -0.02867781207314135
          ],
          [
            0.0,
            6.5503158452884236e-15,
            -0.023968537590536132
          ],
          [
            1.1102230246251565e-16,
            1.6653345369377348e-15,
            -0.019221063002871408
          ],
          [
            4.440892098500626e-16,
            8.326672684688674e-15,
            -0.014442849989069029
          ],
          [
            -1.6653345369377348e-16,
            4.9960036108132044e-15,
            -0.009641478802252745
          ],
          [
            5.551115123125783e-16,
            -1.0824674490095276e-14,
            -0.004824619029303923
          ],
          [
            -2.7755575615628914e-16,
            -1.1102230246251565e-16,
            2.220446049250313e-16
          ],
          [
            1.1102230246251565e-16,
            -9.603429163007604e-15,
            0.004824619029302091
          ],
          [
            -1.6653345369377348e-16,
            -1.942890293094024e-15,
            0.00964147880225219
          ],
          [
            -1.0547118733938987e-15,
            -2.4980018054066022e-15,
            0.014442849989068973
          ],
          [
            3.3306690738754696e-16,
            2.9976021664879227e-15,
            0.019221063002871408
          ],
          [
            -1.6653345369377348e-16,
            -1.304512053934559e-14,
            0.02396853759053419
          ],
          [
            -2.220446049250313e-16,
            8.659739592076221e-15,
            0.028677812073141684
          ],
          [
            1.887379141862766e-15,
            8.659739592076221e-15,
            0.033341572097565164
          ],
          [
            -9.992007221626409e-16,
            -1.4988010832439613e-15,
            0.03795267874448971
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ]
    },
    {
      "orbit_id": 1,
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.037952678744491375
            ],
            "target_residual": 0.4620473212555086,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.006087775129352064,
            "step_scale": 0.621092122813438,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0061063432928428,
              1.0041061570441898,
              0.9996100661437559
            ],
            "cell_volume_ratio": 1.0098436481086293,
            "cell_rmsd_from_input_A": 0.036617086026977254
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              1.86001797621327e-15,
              -8.897215138569334e-15,
              -0.1398552510303207
            ],
            "branch_aligned_reduced_polarization": [
              1.86001797621327e-15,
              -8.897215138569334e-15,
              -0.1398552510303207
            ],
            "target_residual": 0.3601447489696793,
            "energy_eV": -16.311068909206945,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.013278118854235271,
            "step_scale": 0.36467909433297974,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0195546292823494,
              1.0131207318714668,
              0.9987601041672968
            ],
            "cell_volume_ratio": 1.0316512042032733,
            "cell_rmsd_from_input_A": 0.11800263443427737
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              2.844757042736303e-15,
              -1.6943258801589585e-14,
              -0.18571456221367946
            ],
            "branch_aligned_reduced_polarization": [
              2.844757042736303e-15,
              -1.6943258801589585e-14,
              -0.18571456221367943
            ],
            "target_residual": 0.31428543778632057,
            "energy_eV": -15.679483035469381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0071593989427667475,
            "step_scale": 0.8092064847137499,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.026880219738993,
              1.0180148164294431,
              0.998302115021867
            ],
            "cell_volume_ratio": 1.0436043446193832,
            "cell_rmsd_from_input_A": 0.16276472639541623
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              2.1097769511064917e-15,
              1.0767147840908912e-14,
              -0.11365593864663537
            ],
            "branch_aligned_reduced_polarization": [
              2.1097769511064917e-15,
              1.0767147840908912e-14,
              -0.11365593864663537
            ],
            "target_residual": 0.38634406135336463,
            "energy_eV": -15.691501165676227,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.010389412327742382,
            "step_scale": 0.45874807622607144,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.03760451485022,
              1.0251589795393468,
              0.9976378743260549
            ],
            "cell_volume_ratio": 1.061196969887482,
            "cell_rmsd_from_input_A": 0.22884067274463735
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              2.4648479817888468e-15,
              3.199363031857994e-15,
              -0.18627662029984712
            ],
            "branch_aligned_reduced_polarization": [
              2.4648479817888468e-15,
              3.199363031857994e-15,
              -0.18627662029984715
            ],
            "target_residual": 0.31372337970015285,
            "energy_eV": -15.578714928426063,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.0144929810436454,
            "step_scale": 0.7429761260669736,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.007410599399214,
            "cell_principal_stretches": [
              1.0226749803398105,
              1.0129445772798413,
              0.9939745625451255
            ],
            "cell_volume_ratio": 1.0296712462089335,
            "cell_rmsd_from_input_A": 0.1402382315331013
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -4.984752860155042e-16,
              -1.443382256956361e-13,
              -0.11662312912548241
            ],
            "branch_aligned_reduced_polarization": [
              -4.984752860155042e-16,
              -1.443382256956361e-13,
              -0.1166231291254824
            ],
            "target_residual": 0.3833768708745176,
            "energy_eV": -15.88859920073769
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          -0.5
        ],
        "formal_class": [
          0.0,
          0.0,
          0.5
        ],
        "target_residual": 0.49999999999999944,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.0190018608630527
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 2,
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              -3.0606415148982703e-17,
              -5.551115123125783e-17,
              -0.03795267874449138
            ],
            "target_residual": 0.5014383370105266,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01721080930869667,
            "step_scale": 0.45780623224069134,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.017046227748033,
              1.000023613611205,
              0.9826333114955101
            ],
            "cell_volume_ratio": 0.9994071017695442,
            "cell_rmsd_from_input_A": 0.09018967309110844
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              1.6020194456797386e-15,
              -0.04400916719132849,
              -0.051018641079074195
            ],
            "branch_aligned_reduced_polarization": [
              1.6020194456797386e-15,
              -0.04400916719132847,
              -0.051018641079074195
            ],
            "target_residual": 0.4588360724083289,
            "energy_eV": -15.800276266985872,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.014802049935566025,
            "step_scale": 0.462872835078778,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0341330526430872,
              0.9998813709273563,
              0.9699942486055216
            ],
            "cell_volume_ratio": 1.0029841161645618,
            "cell_rmsd_from_input_A": 0.16936255762398844
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              1.459390101701039e-15,
              -0.17364300141256145,
              -0.0710916318819837
            ],
            "branch_aligned_reduced_polarization": [
              1.459390101701039e-15,
              -0.17364300141256145,
              -0.0710916318819837
            ],
            "target_residual": 0.33401034512518446,
            "energy_eV": -15.6779738368042,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.016906527161107656,
            "step_scale": 0.36802074599501494,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0474326845456823,
              1.000197590213684,
              0.9498018667539653
            ],
            "cell_volume_ratio": 0.9950500924000252,
            "cell_rmsd_from_input_A": 0.25557846080274593
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              1.6071349555869836e-15,
              -0.21595870102283526,
              -0.008392885772472986
            ],
            "branch_aligned_reduced_polarization": [
              1.6071349555869836e-15,
              -0.21595870102283526,
              -0.008392885772472986
            ],
            "target_residual": 0.28416526891269606,
            "energy_eV": -15.222765673225586,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.019263980580572763,
            "step_scale": 0.7027460478533937,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0680046304146167,
              1.0001832679242855,
              0.9318551683506296
            ],
            "cell_volume_ratio": 0.9954080276105267,
            "cell_rmsd_from_input_A": 0.3570506043506262
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              8.910259464682734e-16,
              -0.23051726350839072,
              0.014688864300724563
            ],
            "branch_aligned_reduced_polarization": [
              8.910259464682734e-16,
              -0.23051726350839075,
              0.014688864300724563
            ],
            "target_residual": 0.26988276714427545,
            "energy_eV": -14.721357520510983,
            "max_atomic_step_A": 0.0758560541317809,
            "max_log_strain_component": 0.02,
            "step_scale": 0.6494414353393481,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 2.634375222146152,
            "cell_principal_stretches": [
              1.0361768452505822,
              0.9989739825602129,
              0.928923671635293
            ],
            "cell_volume_ratio": 0.9615416278085992,
            "cell_rmsd_from_input_A": 0.2989427295389859
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -2.3413180624066515e-16,
              -0.271329720749327,
              0.018872687501021498
            ],
            "branch_aligned_reduced_polarization": [
              -2.3413180624066515e-16,
              -0.271329720749327,
              0.018872687501021498
            ],
            "target_residual": 0.22944776082169988,
            "energy_eV": -14.998300169249875
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.0,
          0.5,
          0.0
        ],
        "target_residual": 0.49999999999999284,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.0190018608630396
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 3,
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "target_residual": 0.5014383370105266,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0014797213031780899,
            "step_scale": 0.011625799515728183,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0014764383119614,
              0.9999936996183578,
              0.9985169908293396
            ],
            "cell_volume_ratio": 0.9999849392432971,
            "cell_rmsd_from_input_A": 0.012375601498110558
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.006866404295456961,
              3.9183083115603723e-13,
              -0.04006780748619221
            ],
            "branch_aligned_reduced_polarization": [
              0.006866404295456985,
              3.9183083115603723e-13,
              -0.04006780748619221
            ],
            "target_residual": 0.4947587011960904,
            "energy_eV": -15.909519014842232,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00110962813042879,
            "step_scale": 0.027155805053576686,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0014147258736854,
              0.9992470800325557,
              0.997541998857242
            ],
            "cell_volume_ratio": 0.9982011154866525,
            "cell_rmsd_from_input_A": 0.01678373579552106
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.02328217098608183,
              1.3150906718223867e-12,
              -0.0268935467989323
            ],
            "branch_aligned_reduced_polarization": [
              0.023282170986081818,
              1.3150906718223867e-12,
              -0.0268935467989323
            ],
            "target_residual": 0.477475812328928,
            "energy_eV": -15.251931395660005,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.0007939597339448633,
            "step_scale": 0.03246313991537645,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0020418852705109,
              0.9997812435874371,
              0.997658735841854
            ],
            "cell_volume_ratio": 0.99947715064384,
            "cell_rmsd_from_input_A": 0.018369773440918887
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.02638761632020471,
              7.640730061586829e-13,
              -0.01665697087915153
            ],
            "branch_aligned_reduced_polarization": [
              0.0263876163202047,
              7.640730061586829e-13,
              -0.01665697087915153
            ],
            "target_residual": 0.4739052064007385,
            "energy_eV": -14.522695309439957,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0014976105961800332,
            "step_scale": 0.03992424213203632,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0032356939364275,
              1.0007895897248882,
              0.9978692641702833
            ],
            "cell_volume_ratio": 1.001888520442407,
            "cell_rmsd_from_input_A": 0.02294852272410552
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.02076179848244588,
              5.259198767079331e-13,
              0.0004174149804251738
            ],
            "branch_aligned_reduced_polarization": [
              0.02076179848244586,
              5.259198767079331e-13,
              0.0004174149804251738
            ],
            "target_residual": 0.4792383833010934,
            "energy_eV": -15.187853837067363,
            "max_atomic_step_A": 0.01705599454094514,
            "max_log_strain_component": 0.02,
            "step_scale": 0.04163250403051557,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.4470727862595656,
            "cell_principal_stretches": [
              1.0091883450123167,
              1.0030532342818597,
              0.9796949036575685
            ],
            "cell_volume_ratio": 0.9917154010321547,
            "cell_rmsd_from_input_A": 0.125437737665982
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.04259789417313107,
              6.021228577659574e-13,
              0.0004845693438016607
            ],
            "branch_aligned_reduced_polarization": [
              0.04259789417313109,
              6.021228577659574e-13,
              0.0004845693438016607
            ],
            "target_residual": 0.4574023625018821,
            "energy_eV": -15.017082100141225
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          0.0,
          0.0
        ],
        "formal_class": [
          0.5,
          0.0,
          0.0
        ],
        "target_residual": 0.5,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.0190018608630538
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              -3.0606415148982703e-17,
              -5.551115123125783e-17,
              -0.037952678744491375
            ],
            "target_residual": 0.680799329523312,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.010521337498470897,
            "step_scale": 0.2798667855715119,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.012908309167536,
              0.9998242753003356,
              0.9917977578423621
            ],
            "cell_volume_ratio": 1.0044236568656015,
            "cell_rmsd_from_input_A": 0.05800299934872661
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -1.8447963950628596e-16,
              -0.11004905627635608,
              -0.09615874834674012
            ],
            "branch_aligned_reduced_polarization": [
              -1.8447963950628596e-16,
              -0.11004905627635608,
              -0.0961587483467401
            ],
            "target_residual": 0.5613817729921698,
            "energy_eV": -16.197180663600914,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.012197834092835305,
            "step_scale": 0.22615436549679888,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0233950170435637,
              1.001874180292733,
              0.9990432704150364
            ],
            "cell_volume_ratio": 1.0243320964933196,
            "cell_rmsd_from_input_A": 0.1069148411156045
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              2.8700923820665797e-15,
              -0.044443654176200026,
              -0.18399069154960682
            ],
            "branch_aligned_reduced_polarization": [
              2.8700923820665797e-15,
              -0.0444436541762,
              -0.1839906915496068
            ],
            "target_residual": 0.5544307596514009,
            "energy_eV": -16.21333862698195,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.012770280745450337,
            "step_scale": 0.15572969751436624,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0415349491506305,
              1.0056846334988472,
              0.9982262665092656
            ],
            "cell_volume_ratio": 1.045597786368971,
            "cell_rmsd_from_input_A": 0.195573109613407
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              2.5153287214941294e-15,
              -0.07144919674656999,
              -0.16821964767009775
            ],
            "branch_aligned_reduced_polarization": [
              2.5153287214941294e-15,
              -0.07144919674657002,
              -0.16821964767009778
            ],
            "target_residual": 0.541972317707569,
            "energy_eV": -15.71872069667069,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.014886390798669918,
            "step_scale": 0.25363056153872876,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0640102432204284,
              0.9977269496207659,
              0.9973891038199314
            ],
            "cell_volume_ratio": 1.0588199886340393,
            "cell_rmsd_from_input_A": 0.287527110644876
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              1.6722601985676351e-15,
              -0.10711101185106098,
              -0.10073023011725071
            ],
            "branch_aligned_reduced_polarization": [
              1.6722601985676351e-15,
              -0.10711101185106098,
              -0.10073023011725069
            ],
            "target_residual": 0.5601590007764945,
            "energy_eV": -15.48040205216152,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.007551811318359859,
            "step_scale": 0.4593428281094667,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.8874939713194663,
            "cell_principal_stretches": [
              1.0501315732683367,
              0.9992162487469581,
              0.9952383096393981
            ],
            "cell_volume_ratio": 1.0443120490129885,
            "cell_rmsd_from_input_A": 0.22923055923274419
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              1.4662035833267136e-14,
              -0.13355729717628934,
              -0.13667514667502537
            ],
            "branch_aligned_reduced_polarization": [
              1.4662035833267136e-14,
              -0.13355729717628934,
              -0.13667514667502534
            ],
            "target_residual": 0.5160282971856879,
            "energy_eV": -15.764788802870596
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          -0.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 0.707106781186542,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.4332154232361378
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 5,
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              -8.241997697147264e-17,
              -0.037952678744491375
            ],
            "target_residual": 0.680799329523312,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0014794638904084166,
            "step_scale": 0.011623777088095094,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0015351993661616,
              1.0000766925787319,
              0.9985736301065123
            ],
            "cell_volume_ratio": 1.0001833404677238,
            "cell_rmsd_from_input_A": 0.01239415885982773
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.006985507995791345,
              3.8717460507641164e-13,
              -0.04615050155204355
            ],
            "branch_aligned_reduced_polarization": [
              0.00698550799579134,
              3.8717460507641164e-13,
              -0.04615050155204353
            ],
            "target_residual": 0.6701064516684118,
            "energy_eV": -15.914042822026635,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.001065804684663861,
            "step_scale": 0.027157676591912774,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0014713521996819,
              0.9993594897531352,
              0.9976416240468207
            ],
            "cell_volume_ratio": 0.9984695663683663,
            "cell_rmsd_from_input_A": 0.01644623106183289
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.023115181917606715,
              1.2420588639145839e-12,
              -0.04960383247801553
            ],
            "branch_aligned_reduced_polarization": [
              0.023115181917606697,
              1.2420588639145839e-12,
              -0.04960383247801553
            ],
            "target_residual": 0.6559541427843633,
            "energy_eV": -15.262041586027946,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0015939864075292835,
            "step_scale": 0.030797714923389383,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0025283829665497,
              1.000432308103837,
              0.9980776362106489
            ],
            "cell_volume_ratio": 1.0010337266949554,
            "cell_rmsd_from_input_A": 0.018798639618102096
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.0256265015326649,
              6.208142835245006e-13,
              -0.04183721667523544
            ],
            "branch_aligned_reduced_polarization": [
              0.02562650153266488,
              6.208142835245006e-13,
              -0.041837216675235434
            ],
            "target_residual": 0.6595023518320718,
            "energy_eV": -14.528238614820111,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.003610012524008709,
            "step_scale": 0.0404955517974888,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0054481656214667,
              1.0028662545207734,
              0.998547395177904
            ],
            "cell_volume_ratio": 1.0068653308990658,
            "cell_rmsd_from_input_A": 0.03359749042242372
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.021510632757964273,
              1.8196069770312595e-13,
              -0.032771167737920735
            ],
            "branch_aligned_reduced_polarization": [
              0.021510632757964276,
              1.8196069770312595e-13,
              -0.032771167737920714
            ],
            "target_residual": 0.6687711538790156,
            "energy_eV": -15.18620446299501,
            "max_atomic_step_A": 0.017185860800219225,
            "max_log_strain_component": 0.02,
            "step_scale": 0.03997205395368989,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.450316779081388,
            "cell_principal_stretches": [
              1.01081113808324,
              1.0055896244415854,
              0.9796483930248086
            ],
            "cell_volume_ratio": 0.9957745740265923,
            "cell_rmsd_from_input_A": 0.12935518327168438
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.04212696710542127,
              1.528715049206287e-13,
              -0.05015182910634129
            ],
            "branch_aligned_reduced_polarization": [
              0.0421269671054213,
              1.528715049206287e-13,
              -0.050151829106341306
            ],
            "target_residual": 0.6418809010310638,
            "energy_eV": -15.032585122888477
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          0.0,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.0,
          0.5
        ],
        "target_residual": 0.7071067811865471,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.433215423236148
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 6,
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              -5.551115123125783e-17,
              -0.03795267874449138
            ],
            "target_residual": 0.7081245694253819,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0014792461561410747,
            "step_scale": 0.011622066404511149,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0015389588657302,
              0.9999942551257092,
              0.9984541090969183
            ],
            "cell_volume_ratio": 0.9999849440793382,
            "cell_rmsd_from_input_A": 0.012581870909633258
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.006858980109833841,
              -0.005832649331779891,
              -0.040101943989481054
            ],
            "branch_aligned_reduced_polarization": [
              0.006858980109833823,
              -0.005832649331779904,
              -0.040101943989481054
            ],
            "target_residual": 0.6992836347838381,
            "energy_eV": -15.909791431277768,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0010994964036839404,
            "step_scale": 0.026461070467960052,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0016584281794818,
              0.9994941536787646,
              0.9970690263227693
            ],
            "cell_volume_ratio": 0.9982173935429571,
            "cell_rmsd_from_input_A": 0.017911395750904502
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.022811545663294193,
              -0.021029158123807457,
              -0.027347697746411638
            ],
            "branch_aligned_reduced_polarization": [
              0.022811545663294186,
              -0.021029158123807457,
              -0.027347697746411638
            ],
            "target_residual": 0.6766607605675624,
            "energy_eV": -15.270213815832681,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.0016177518561645782,
            "step_scale": 0.03127383001987807,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.003317094183148,
              0.9999208002412897,
              0.9961486511189523
            ],
            "cell_volume_ratio": 0.9993738135810623,
            "cell_rmsd_from_input_A": 0.02352930371756063
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.027088477982056332,
              -0.028942869028356858,
              -0.017834986004761973
            ],
            "branch_aligned_reduced_polarization": [
              0.027088477982056325,
              -0.028942869028356855,
              -0.017834986004761973
            ],
            "target_residual": 0.6677261527170804,
            "energy_eV": -14.596750594160863,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00398470070903563,
            "step_scale": 0.03035709425450969,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0084949628044348,
              1.0000449661276833,
              0.9937950184378417
            ],
            "cell_volume_ratio": 1.002282336883762,
            "cell_rmsd_from_input_A": 0.04301175732359733
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.022004757287653637,
              -0.033421416557090355,
              -0.0024218840322754232
            ],
            "branch_aligned_reduced_polarization": [
              0.02200475728765361,
              -0.033421416557090355,
              -0.0024218840322754232
            ],
            "target_residual": 0.6679677328325769,
            "energy_eV": -15.164457279654082,
            "max_atomic_step_A": 0.021280928404900333,
            "max_log_strain_component": 0.02,
            "step_scale": 0.04154096695807806,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.4630248549929001,
            "cell_principal_stretches": [
              1.0143981507929483,
              0.9978387787923495,
              0.9796480527498125
            ],
            "cell_volume_ratio": 0.9916054527043681,
            "cell_rmsd_from_input_A": 0.13210650982829367
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.04318753028585795,
              -0.05172409049489949,
              -0.0016799319561567867
            ],
            "branch_aligned_reduced_polarization": [
              0.04318753028585798,
              -0.05172409049489951,
              -0.0016799319561567867
            ],
            "target_residual": 0.6400248008478548,
            "energy_eV": -15.007149877971987
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.5,
          0.5,
          0.0
        ],
        "target_residual": 0.7071067811865425,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.4332154232361387
      },
      "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": [
              -3.0606415148982703e-17,
              -8.241997697147264e-17,
              -0.03795267874449138
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              -5.551115123125783e-17,
              -0.037952678744491375
            ],
            "target_residual": 0.844682027202776,
            "energy_eV": -16.181815294733383,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.001478447985852782,
            "step_scale": 0.011615795380548067,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0016007432330754,
              1.0000699142746228,
              0.9985149263547762
            ],
            "cell_volume_ratio": 1.0001832145616398,
            "cell_rmsd_from_input_A": 0.012595585916085962
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.0069749824384745035,
              -0.006026410283482788,
              -0.04617322395197259
            ],
            "branch_aligned_reduced_polarization": [
              0.006974982438474497,
              -0.006026410283482775,
              -0.0461732239519726
            ],
            "target_residual": 0.8324916323526087,
            "energy_eV": -15.91450468444401,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0010583702834872427,
            "step_scale": 0.02648675092365318,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0017079001859277,
              0.9995579493194845,
              0.9972198074191946
            ],
            "cell_volume_ratio": 0.9984813847397491,
            "cell_rmsd_from_input_A": 0.01748967828607655
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.022673675586782658,
              -0.020921483081467587,
              -0.04949898269284715
            ],
            "branch_aligned_reduced_polarization": [
              0.022673675586782682,
              -0.020921483081467573,
              -0.04949898269284714
            ],
            "target_residual": 0.8125932635368522,
            "energy_eV": -15.279688805618942,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0016559102327467433,
            "step_scale": 0.029637235722040876,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.003933328999293,
              1.0001039197202746,
              0.9967760773139099
            ],
            "cell_volume_ratio": 1.0008007176884106,
            "cell_rmsd_from_input_A": 0.023647117892857752
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.026344340917025862,
              -0.028094355101433224,
              -0.04347651950790338
            ],
            "branch_aligned_reduced_polarization": [
              0.026344340917025866,
              -0.02809435510143321,
              -0.04347651950790338
            ],
            "target_residual": 0.8096037977363227,
            "energy_eV": -14.605076170506061,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.003995917917762621,
            "step_scale": 0.031755888527180094,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.0653404577107648,
            "cell_principal_stretches": [
              1.0110058479973227,
              1.0002434096146735,
              0.9960026185793952
            ],
            "cell_volume_ratio": 1.0072095768385358,
            "cell_rmsd_from_input_A": 0.050136256655346795
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.022392432119970725,
              -0.032242154629770606,
              -0.03164799742140915
            ],
            "branch_aligned_reduced_polarization": [
              0.022392432119970718,
              -0.03224215462977059,
              -0.03164799742140917
            ],
            "target_residual": 0.816247504817658,
            "energy_eV": -15.170410158622913,
            "max_atomic_step_A": 0.021910156816845126,
            "max_log_strain_component": 0.02,
            "step_scale": 0.03988008801687906,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.461016855114568,
            "cell_principal_stretches": [
              1.0167174169192315,
              0.9997329754778059,
              0.9795970298780294
            ],
            "cell_volume_ratio": 0.9957074125282782,
            "cell_rmsd_from_input_A": 0.13664204203233196
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.042459786433978124,
              -0.04948700609164042,
              -0.04802019751342309
            ],
            "branch_aligned_reduced_polarization": [
              0.04245978643397813,
              -0.04948700609164042,
              -0.04802019751342307
            ],
            "target_residual": 0.7852329250395195,
            "energy_eV": -15.027244079422857
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          -0.5,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.5,
          0.5
        ],
        "target_residual": 0.8660254037844342,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 1.751052668431922
      },
      "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
        ],
        "endpoint_rmsd_A": 0.01900186086305382,
        "minimum_distance_A_by_image": [
          2.3953778274105217,
          2.3984064108189806,
          2.4014358733443175,
          2.4044662116636517,
          2.4074974224698744,
          2.41052950247156,
          2.413562448392885,
          2.4165962569735324,
          2.4196309249686165
        ],
        "minimum_distance_A": 2.3953778274105217,
        "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": [
          318.6965354820381,
          318.6965354820381,
          318.6965354820381,
          318.6965354820381,
          318.6965354820381,
          318.6965354820381,
          318.6965354820381,
          318.6965354820381,
          318.6965354820381
        ],
        "cell_deformation_log_strain_norm": 0.0
      },
      "parent_reduced_polarization": [
        -3.0490607910106285e-16,
        -1.2637729802292474e-16,
        2.1591266448088974e-16
      ],
      "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": [
          -16.181815294733376,
          -16.178132772381254,
          -16.17490778736476,
          -16.172154488265683,
          -16.169884994801926,
          -16.16810932537345,
          -16.16683533646313,
          -16.166068674663492,
          -16.16581274195088
        ],
        "cartesian_polarizations_e_A2": [
          [
            2.6390900010982007e-19,
            -2.0679739803141147e-16,
            -0.0009323308475157775
          ],
          [
            7.051471843811435e-18,
            -6.3140919592660904e-18,
            -0.000819056182582225
          ],
          [
            9.582710619442911e-21,
            -1.262818391853218e-18,
            -0.000704488055113445
          ],
          [
            3.9336394316948665e-19,
            1.0394301728805627e-16,
            -0.0005888018370440717
          ],
          [
            2.5955471395511943e-18,
            2.7215913617526253e-17,
            -0.00047217720994789295
          ],
          [
            1.0381316717062621e-17,
            1.3163793098525097e-16,
            -0.00035479747454736447
          ],
          [
            -4.167300884428769e-18,
            7.907855860708427e-17,
            -0.0002368488444129942
          ],
          [
            1.3113357066821032e-17,
            -1.712643012123692e-16,
            -0.00011851972765387251
          ],
          [
            -7.709959785891201e-18,
            -2.003091242249932e-18,
            5.3040271233579464e-18
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.983632220287845e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516166e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.717082853572347e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100377e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960064e-14,
            -0.004824619029303943
          ],
          [
            -3.0490607910106285e-16,
            -1.2637729802292474e-16,
            2.1591266448088974e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.9836322202878443e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516396e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.7170828535723473e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100374e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960066e-14,
            -0.004824619029303943
          ],
          [
            -3.049060791010628e-16,
            -1.2637729802292444e-16,
            2.1597307275911248e-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
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.0,
            -1.304512053934559e-14,
            -0.03795267874448849
          ],
          [
            3.3306690738754696e-16,
            -3.885780586188048e-16,
            -0.033341572097564054
          ],
          [
            0.0,
            -5.551115123125783e-17,
            -0.02867781207314135
          ],
          [
            0.0,
            6.5503158452884236e-15,
            -0.023968537590536132
          ],
          [
            1.1102230246251565e-16,
            1.6653345369377348e-15,
            -0.019221063002871408
          ],
          [
            4.440892098500626e-16,
            8.326672684688674e-15,
            -0.014442849989069029
          ],
          [
            -1.6653345369377348e-16,
            4.9960036108132044e-15,
            -0.009641478802252745
          ],
          [
            5.551115123125783e-16,
            -1.0824674490095276e-14,
            -0.004824619029303923
          ],
          [
            -2.7755575615628914e-16,
            -1.1102230246251565e-16,
            2.220446049250313e-16
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -16.16581274195088,
          -16.166068674663492,
          -16.166835336463116,
          -16.168109325373436,
          -16.16988499480193,
          -16.17215448826568,
          -16.174907787364756,
          -16.178132772381257,
          -16.181815294733383
        ],
        "cartesian_polarizations_e_A2": [
          [
            -7.899519562706574e-18,
            1.6020375391820653e-16,
            -2.774431011883643e-17
          ],
          [
            2.133134355251879e-18,
            -1.5201720710205464e-16,
            0.00011851972765382795
          ],
          [
            -4.203339278093345e-18,
            -3.1222096102026116e-17,
            0.00023684884441297979
          ],
          [
            -2.6044461465878546e-17,
            -3.984409753605843e-17,
            0.00035479747454736306
          ],
          [
            8.371851575899923e-18,
            4.768228065790599e-17,
            0.0004721772099478927
          ],
          [
            -4.490784311472305e-18,
            -2.0644903433710712e-16,
            0.0005888018370440241
          ],
          [
            -5.177068589686558e-18,
            1.3782138655915295e-16,
            0.000704488055113454
          ],
          [
            4.702964258062226e-17,
            1.3681984093802797e-16,
            0.0008190561825822515
          ],
          [
            -2.5523399919508575e-17,
            -2.3775822136270934e-17,
            0.0009323308475158083
          ]
        ],
        "raw_reduced_polarization": [
          [
            -3.1240260695712445e-16,
            1.0107436509268264e-14,
            -1.1293961706118938e-15
          ],
          [
            8.435914719630968e-17,
            -9.590937986913702e-15,
            0.00482461902930213
          ],
          [
            -1.6622962168495797e-16,
            -1.969837449618196e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.3108193942786423e-16,
            3.0083291594587514e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412167e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490365e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244235e-15,
            -1.500043580880802e-15,
            0.03795267874448976
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -3.1240260695712445e-16,
            1.0107436509268264e-14,
            -1.1293961706118938e-15
          ],
          [
            8.435914719630966e-17,
            -9.5909379869137e-15,
            0.00482461902930213
          ],
          [
            -1.66229621684958e-16,
            -1.9698374496181954e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.310819394278643e-16,
            3.0083291594587518e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412171e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490366e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244237e-15,
            -1.5000435808808026e-15,
            0.03795267874448976
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -6.202489776794747e-16,
          1.2794327758538271e-14,
          0.03795267874448894
        ],
        "actual_opposite_endpoint_branch_residual": 1.4323089302830955e-14
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.983632220287845e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516166e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.717082853572347e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100377e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960064e-14,
            -0.004824619029303943
          ],
          [
            -3.0490607910106285e-16,
            -1.2637729802292474e-16,
            2.1591266448088974e-16
          ],
          [
            8.435914719630968e-17,
            -9.590937986913702e-15,
            0.00482461902930213
          ],
          [
            -1.6622962168495797e-16,
            -1.969837449618196e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.3108193942786423e-16,
            3.0083291594587514e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412167e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490365e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244235e-15,
            -1.500043580880802e-15,
            0.03795267874448976
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.043681947734905e-17,
            -1.304708235458412e-14,
            -0.0379526787444885
          ],
          [
            2.7886483088051055e-16,
            -3.9836322202878443e-16,
            -0.03334157209756407
          ],
          [
            3.789678290516396e-19,
            -7.967264440575689e-17,
            -0.028677812073141372
          ],
          [
            1.5556379138451968e-17,
            6.557882834363508e-15,
            -0.023968537590536132
          ],
          [
            1.0264620353672253e-16,
            1.7170828535723473e-15,
            -0.019221063002871436
          ],
          [
            4.1055033541137965e-16,
            8.305186346158727e-15,
            -0.014442849989069024
          ],
          [
            -1.6480440993100374e-16,
            4.98915593933981e-15,
            -0.00964147880225275
          ],
          [
            5.185944412334497e-16,
            -1.0805258980960066e-14,
            -0.004824619029303943
          ],
          [
            -3.049060791010628e-16,
            -1.2637729802292444e-16,
            2.1597307275911248e-16
          ],
          [
            8.435914719630966e-17,
            -9.590937986913702e-15,
            0.00482461902930213
          ],
          [
            -1.66229621684958e-16,
            -1.969837449618197e-15,
            0.009641478802252164
          ],
          [
            -1.0299813291363136e-15,
            -2.5138092976299158e-15,
            0.014442849989068966
          ],
          [
            3.310819394278643e-16,
            3.0083291594587518e-15,
            0.019221063002871425
          ],
          [
            -1.7759722158412171e-16,
            -1.3025103694058395e-14,
            0.023968537590534193
          ],
          [
            -2.0473773258937108e-16,
            8.695307570490366e-15,
            0.02867781207314174
          ],
          [
            1.8598831017280586e-15,
            8.632118921478902e-15,
            0.03334157209756514
          ],
          [
            -1.0093748879244237e-15,
            -1.5000435808808026e-15,
            0.03795267874448976
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.0,
            -1.304512053934559e-14,
            -0.03795267874448849
          ],
          [
            3.3306690738754696e-16,
            -3.885780586188048e-16,
            -0.033341572097564054
          ],
          [
            0.0,
            -5.551115123125783e-17,
            -0.02867781207314135
          ],
          [
            0.0,
            6.5503158452884236e-15,
            -0.023968537590536132
          ],
          [
            1.1102230246251565e-16,
            1.6653345369377348e-15,
            -0.019221063002871408
          ],
          [
            4.440892098500626e-16,
            8.326672684688674e-15,
            -0.014442849989069029
          ],
          [
            -1.6653345369377348e-16,
            4.9960036108132044e-15,
            -0.009641478802252745
          ],
          [
            5.551115123125783e-16,
            -1.0824674490095276e-14,
            -0.004824619029303923
          ],
          [
            -2.7755575615628914e-16,
            -1.1102230246251565e-16,
            2.220446049250313e-16
          ],
          [
            1.1102230246251565e-16,
            -9.603429163007604e-15,
            0.004824619029302091
          ],
          [
            -1.6653345369377348e-16,
            -1.942890293094024e-15,
            0.00964147880225219
          ],
          [
            -1.0547118733938987e-15,
            -2.4980018054066022e-15,
            0.014442849989068973
          ],
          [
            3.3306690738754696e-16,
            2.9976021664879227e-15,
            0.019221063002871408
          ],
          [
            -1.6653345369377348e-16,
            -1.304512053934559e-14,
            0.02396853759053419
          ],
          [
            -2.220446049250313e-16,
            8.659739592076221e-15,
            0.028677812073141684
          ],
          [
            1.887379141862766e-15,
            8.659739592076221e-15,
            0.033341572097565164
          ],
          [
            -9.992007221626409e-16,
            -1.4988010832439613e-15,
            0.03795267874448971
          ]
        ]
      },
      "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": "Cmcm",
        "spacegroup_number": 63,
        "pointgroup": "mmm",
        "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": 7.195987047824338e-15,
        "parent_symmetrization_rmsd_A": 0.01900186086305382,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -16.165812741950887,
        "reduced_polarization": [
          -2.7283131581275293e-17,
          -7.176032661649551e-15,
          5.348275068894714e-16
        ],
        "cartesian_polarization_e_A2": [
          -6.898906310591742e-19,
          -1.137407461903657e-16,
          1.3138365966998396e-17
        ],
        "ranking_score": 0.01900186086306821
      }
    }
  ],
  "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": 157.29810105200158
  }
}