{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 4,
  "input_formula": "H2Cl2",
  "input_spacegroup": "Imm2",
  "input_pointgroup": "mm2",
  "input_is_polar_point_group": true,
  "input_energy_eV": -12.953426516248085,
  "input_cartesian_polarization_e_A2": [
    -2.1102891647220377e-20,
    4.9972489853099646e-20,
    0.005277345413481177
  ],
  "input_reduced_polarization": [
    -5.27723543150305e-19,
    9.324792870430576e-19,
    0.12837869458099577
  ],
  "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": "Immm",
      "spacegroup_number": 71,
      "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": 2.630103024937076e-18,
      "parent_symmetrization_rmsd_A": 0.6441323250156171,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -6.5476477112697715,
      "reduced_polarization": [
        -1.3213733232682948e-19,
        1.0199350825009556e-19,
        2.624800748907152e-18
      ],
      "cartesian_polarization_e_A2": [
        -5.283978406571914e-21,
        5.465933267292602e-21,
        1.078993694300866e-19
      ],
      "ranking_score": 0.6441323250156171
    },
    {
      "candidate_id": "inversion_parent_endpoint_01",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "Immm",
      "spacegroup_number": 71,
      "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": 8.121762252400957e-05,
      "parent_symmetrization_rmsd_A": 0.9043371270276335,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": "Infinity",
      "reduced_polarization": [
        -9.665491933028622e-18,
        -4.880053092561505e-18,
        8.121762252400957e-05
      ],
      "cartesian_polarization_e_A2": [
        -3.865088674311646e-19,
        -2.6152688541097494e-19,
        3.33866494841564e-06
      ],
      "ranking_score": 0.9044995622726815
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Imm2",
      "spacegroup_number": 44,
      "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": 0.1019259486506112,
      "parent_symmetrization_rmsd_A": 0.3847412452906376,
      "parent_cell_rmsd_A": 0.226627761968174,
      "energy_eV": -7.715126287070381,
      "reduced_polarization": [
        -2.1410134316113827e-15,
        -2.648053289216861e-15,
        0.1019259486506112
      ],
      "cartesian_polarization_e_A2": [
        -1.0327267285755572e-16,
        1.3827447736503705e-16,
        0.00414268667900338
      ],
      "ranking_score": 1.1452500830839036
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "Immm",
      "spacegroup_number": 71,
      "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": 7.400419208636662e-16,
      "parent_symmetrization_rmsd_A": 0.6441323250156171,
      "parent_cell_rmsd_A": 0.226627761968174,
      "energy_eV": -5.826413354402672,
      "reduced_polarization": [
        5.607377869046928e-16,
        -6.085799662701797e-17,
        4.790944408144993e-16
      ],
      "cartesian_polarization_e_A2": [
        2.054048153004044e-17,
        -3.0153565190930846e-18,
        1.9472354039599744e-17
      ],
      "ranking_score": 0.7007892655076621
    },
    {
      "candidate_id": "bec_projection_01",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Imm2",
      "spacegroup_number": 44,
      "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": 0.34319112061764656,
      "parent_symmetrization_rmsd_A": 0.05042702668384961,
      "parent_cell_rmsd_A": 0.24108497050456934,
      "energy_eV": -11.473097421204745,
      "reduced_polarization": [
        3.873241592906442e-15,
        3.4229745381254985e-15,
        0.1568088793823534
      ],
      "cartesian_polarization_e_A2": [
        3.792527479333182e-16,
        2.844226926501057e-16,
        0.006386828230691719
      ],
      "ranking_score": 1.297080510545285
    },
    {
      "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": 0.42718464029645475,
      "parent_symmetrization_rmsd_A": 0.7639456398426274,
      "parent_cell_rmsd_A": 0.1675577302229403,
      "energy_eV": -12.992453865436566,
      "reduced_polarization": [
        4.482015317523046e-16,
        0.08267032064421008,
        0.091228590003381
      ],
      "cartesian_polarization_e_A2": [
        7.700965045275223e-17,
        0.004228857687521849,
        0.0036446844144900664
      ],
      "ranking_score": 2.160204352991272
    },
    {
      "candidate_id": "bec_projection_03",
      "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": [
        0.5,
        0.0,
        0.0
      ],
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_residual": 0.40408659725737384,
      "parent_symmetrization_rmsd_A": 0.7678329394415381,
      "parent_cell_rmsd_A": 0.10541073259326128,
      "energy_eV": -13.024842076414448,
      "reduced_polarization": [
        0.10493186163292062,
        -8.16296927995096e-16,
        0.0848949004959265
      ],
      "cartesian_polarization_e_A2": [
        0.004018993498812907,
        1.1149456576830929e-17,
        0.0034593583077732045
      ],
      "ranking_score": 2.102358817104601
    },
    {
      "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": 0.5741384823759412,
      "parent_symmetrization_rmsd_A": 0.3392152788609081,
      "parent_cell_rmsd_A": 0.2527626067362703,
      "energy_eV": -12.314407687059711,
      "reduced_polarization": [
        -2.1735075672323437e-14,
        0.0461899623376207,
        0.1483020519510828
      ],
      "cartesian_polarization_e_A2": [
        2.3568099218559287e-15,
        0.002526731812795641,
        0.005987160061776341
      ],
      "ranking_score": 2.050682895296858
    },
    {
      "candidate_id": "bec_projection_05",
      "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": [
        0.5,
        0.0,
        0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 0.5692993509626857,
      "parent_symmetrization_rmsd_A": 0.3014001679311439,
      "parent_cell_rmsd_A": 0.23709765872346014,
      "energy_eV": -11.997560117912393,
      "reduced_polarization": [
        0.052021579096568224,
        -2.8835561052085387e-15,
        0.14869232087612586
      ],
      "cartesian_polarization_e_A2": [
        0.00217295154947917,
        -1.2585386156098303e-15,
        0.006029555320359979
      ],
      "ranking_score": 1.9992732845373804
    },
    {
      "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": 0.6169786453360302,
      "parent_symmetrization_rmsd_A": 0.7559874060875019,
      "parent_cell_rmsd_A": 0.1669906483073555,
      "energy_eV": -12.613353338848071,
      "reduced_polarization": [
        0.06855301056416269,
        0.06841682210738483,
        0.09084109569763413
      ],
      "cartesian_polarization_e_A2": [
        0.002622246074495034,
        0.00349629606821741,
        0.003612928768017568
      ],
      "ranking_score": 2.531692358836401
    },
    {
      "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": 0.736496240261176,
      "parent_symmetrization_rmsd_A": 0.45907993106174794,
      "parent_cell_rmsd_A": 0.2573798222139517,
      "energy_eV": -12.855544106021965,
      "reduced_polarization": [
        0.0462115211364029,
        0.04608124799700729,
        0.13880684537278928
      ],
      "cartesian_polarization_e_A2": [
        0.0019101570214573513,
        0.002510741129131581,
        0.005579029246285396
      ],
      "ranking_score": 2.496417367137588
    }
  ],
  "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": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "target_residual": 0.12837869458099577,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.08643624601373998,
            "max_log_strain_component": 0.02,
            "step_scale": 0.1684473419788263,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.020201340026756,
              1.000241387065606,
              0.9983204398676389
            ],
            "cell_volume_ratio": 1.0187337003226598,
            "cell_rmsd_from_input_A": 0.05422008798049969
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              1.5686780036272764e-16,
              9.877446973331366e-17,
              0.10424686599871616
            ],
            "branch_aligned_reduced_polarization": [
              1.5686780036272764e-16,
              9.877446973331366e-17,
              0.10424686599871616
            ],
            "target_residual": 0.10424686599871616,
            "energy_eV": -12.332910532182813,
            "max_atomic_step_A": 0.08445631514173796,
            "max_log_strain_component": 0.02,
            "step_scale": 0.20041434168416186,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0408107741923882,
              1.0004828323989272,
              0.9966437006575161
            ],
            "cell_volume_ratio": 1.037818352173099,
            "cell_rmsd_from_input_A": 0.11063781420601858
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              4.331744480967116e-16,
              -1.5015924746190805e-16,
              0.08127807089950968
            ],
            "branch_aligned_reduced_polarization": [
              4.331744480967116e-16,
              -1.5015924746190805e-16,
              0.08127807089950968
            ],
            "target_residual": 0.08127807089950968,
            "energy_eV": -10.795024262555907,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01435546366173777,
            "step_scale": 0.5824895241406776,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0558598552671412,
              1.0006561713134388,
              0.9954419186294713
            ],
            "cell_volume_ratio": 1.051736827126508,
            "cell_rmsd_from_input_A": 0.1525380038123508
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -5.559078926560391e-16,
              -1.6332557616941827e-16,
              0.0963280089858777
            ],
            "branch_aligned_reduced_polarization": [
              -5.559078926560391e-16,
              -1.6332557616941827e-16,
              0.0963280089858777
            ],
            "target_residual": 0.0963280089858777,
            "energy_eV": -7.874937866365589,
            "max_atomic_step_A": 0.08196896705689147,
            "max_log_strain_component": 0.003046211547381202,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0590811316043,
              1.0006929574779948,
              0.9951870884153072
            ],
            "cell_volume_ratio": 1.05471423375972,
            "cell_rmsd_from_input_A": 0.1615840149731645
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -3.155138170478267e-16,
              2.4226478590401186e-16,
              0.0536029207596492
            ],
            "branch_aligned_reduced_polarization": [
              -3.155138170478267e-16,
              2.4226478590401186e-16,
              0.0536029207596492
            ],
            "target_residual": 0.0536029207596492,
            "energy_eV": -9.649567367316408,
            "max_atomic_step_A": 0.07555614445631488,
            "max_log_strain_component": 0.02,
            "step_scale": 0.6796466039052219,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.6156165892503676,
            "cell_principal_stretches": [
              1.0804759896597598,
              1.0103447327699402,
              1.0010497420264646
            ],
            "cell_volume_ratio": 1.0927991793057734,
            "cell_rmsd_from_input_A": 0.226627761968174
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -2.1410134316113827e-15,
              -2.648053289216861e-15,
              0.1019259486506112
            ],
            "branch_aligned_reduced_polarization": [
              -2.1410134316113827e-15,
              -2.648053289216861e-15,
              0.1019259486506112
            ],
            "target_residual": 0.1019259486506112,
            "energy_eV": -7.715126287070381
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Immm",
        "spacegroup_number": 71,
        "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": 2.630103024937076e-18,
        "parent_symmetrization_rmsd_A": 0.6441323250156171,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -6.5476477112697715,
        "reduced_polarization": [
          -1.3213733232682948e-19,
          1.0199350825009556e-19,
          2.624800748907152e-18
        ],
        "cartesian_polarization_e_A2": [
          -5.283978406571914e-21,
          5.465933267292602e-21,
          1.078993694300866e-19
        ],
        "ranking_score": 0.6441323250156171
      },
      "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": [
          -12.953426516248086,
          -12.740509705576812,
          -12.144987736298429,
          -11.280978601348453,
          -10.074538727689152,
          -8.625976849075537,
          -7.464525384010498,
          -6.780816255543885,
          -6.547647711269775
        ],
        "cartesian_polarizations_e_A2": [
          [
            6.279711002795998e-21,
            3.674381103091634e-20,
            0.005277345413481177
          ],
          [
            -2.4713912133516214e-20,
            7.934030508517869e-20,
            0.004763272341215141
          ],
          [
            -2.788891069557149e-20,
            -6.375556867218943e-20,
            0.0043352224703747015
          ],
          [
            -1.4305240108492707e-19,
            -2.2275180396621e-19,
            0.004189469073343439
          ],
          [
            -3.2572151719834225e-20,
            6.593474473706568e-20,
            0.0038649414934534628
          ],
          [
            -8.219277608788816e-20,
            -3.342982048856006e-20,
            0.0033780736310236787
          ],
          [
            -1.0634707739337962e-19,
            -2.1958651079634146e-19,
            0.0042293010294624
          ],
          [
            1.4299969293496844e-19,
            7.32145923293804e-22,
            0.003795488523077563
          ],
          [
            -1.0385354221594808e-19,
            1.2898004170432414e-20,
            4.419883707743047e-19
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657523e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912877e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295131e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303158e-18,
            1.3661734897968886e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.0751975778397429e-17
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657525e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912879e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295132e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303159e-18,
            1.3661734897968988e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.3877787807814457e-17
          ]
        ],
        "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,
            0.0,
            0.1283786945809957
          ],
          [
            0.0,
            0.0,
            0.11587315917143814
          ],
          [
            0.0,
            0.0,
            0.10546025659854963
          ],
          [
            0.0,
            0.0,
            0.10191460449970846
          ],
          [
            0.0,
            0.0,
            0.09402002421406397
          ],
          [
            0.0,
            0.0,
            0.08217629299789075
          ],
          [
            0.0,
            0.0,
            0.10288357168463003
          ],
          [
            0.0,
            0.0,
            0.09233048506643615
          ],
          [
            0.0,
            0.0,
            0.0
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -6.547647711269771,
          -6.780816255543884,
          -7.464525384010498,
          -8.625976849075537,
          -10.074538727689152,
          -11.280978601348457,
          -12.144987736298425,
          -12.740509705576809,
          -12.953426516248086
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.090354245623918e-19,
            -1.5373991637994919e-19,
            3.5956218691128045e-19
          ],
          [
            -1.88072145469604e-19,
            -2.3821575149442334e-20,
            -0.0037954885230775523
          ],
          [
            -8.929843357599851e-20,
            1.407409696384765e-20,
            -0.004229301029462404
          ],
          [
            1.6211923418899438e-17,
            -2.278558084505967e-17,
            -0.00337807363102366
          ],
          [
            -4.606986173433706e-20,
            -1.4006427398578086e-21,
            -0.0038649414934534636
          ],
          [
            -8.09449361168743e-20,
            3.6689863948926095e-20,
            -0.004189469073343441
          ],
          [
            -1.1069727668147846e-19,
            -1.3052310733356658e-19,
            -0.0043352224703747015
          ],
          [
            -7.795662079427158e-20,
            -2.403582219424857e-19,
            -0.004763272341215131
          ],
          [
            -1.4016000125709565e-19,
            1.9070655355974583e-19,
            -0.005277345413481179
          ]
        ],
        "raw_reduced_polarization": [
          [
            2.726667109933358e-18,
            -2.8687641547870997e-18,
            8.746845347367338e-18
          ],
          [
            -4.703151617052063e-18,
            -4.44507077331805e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425298012e-18,
            -2.6135786856008185e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005405e-18,
            -0.12837869458099582
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            2.726667109933358e-18,
            -2.8687641547870997e-18,
            8.746845347367338e-18
          ],
          [
            -4.703151617052063e-18,
            -4.445070773318052e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425297927e-18,
            -2.6135786855993714e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005406e-18,
            -0.12837869458099582
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -5.351203605741375e-18,
          -2.0428438280975692e-19,
          -0.12837869458099577
        ],
        "actual_opposite_endpoint_branch_residual": 5.566915960056552e-17
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657523e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912877e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295131e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303158e-18,
            1.3661734897968886e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.0751975778397429e-17
          ],
          [
            -4.703151617052063e-18,
            -4.44507077331805e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425298012e-18,
            -2.6135786856008185e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005405e-18,
            -0.12837869458099582
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657525e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912879e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295132e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303159e-18,
            1.3661734897968988e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.3877787807814457e-17
          ],
          [
            -4.703151617052063e-18,
            -4.44507077331805e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425297927e-18,
            -2.6135786855993714e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005406e-18,
            -0.12837869458099582
          ]
        ],
        "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,
            0.0,
            0.1283786945809957
          ],
          [
            0.0,
            0.0,
            0.11587315917143814
          ],
          [
            0.0,
            0.0,
            0.10546025659854963
          ],
          [
            0.0,
            0.0,
            0.10191460449970846
          ],
          [
            0.0,
            0.0,
            0.09402002421406397
          ],
          [
            0.0,
            0.0,
            0.08217629299789075
          ],
          [
            0.0,
            0.0,
            0.10288357168463003
          ],
          [
            0.0,
            0.0,
            0.09233048506643615
          ],
          [
            0.0,
            0.0,
            0.0
          ],
          [
            0.0,
            0.0,
            -0.09233048506643587
          ],
          [
            0.0,
            0.0,
            -0.10288357168463019
          ],
          [
            4.440892098500626e-16,
            -4.440892098500626e-16,
            -0.08217629299789031
          ],
          [
            0.0,
            0.0,
            -0.09402002421406397
          ],
          [
            0.0,
            0.0,
            -0.10191460449970852
          ],
          [
            0.0,
            0.0,
            -0.10546025659854957
          ],
          [
            0.0,
            0.0,
            -0.11587315917143781
          ],
          [
            0.0,
            0.0,
            -0.12837869458099582
          ]
        ]
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "target_residual": 0.37162130541900423,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.08643624601373999,
            "max_log_strain_component": 0.02,
            "step_scale": 0.05819109279673289,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0016823858004789,
              0.999758671188048,
              0.9801986733067553
            ],
            "cell_volume_ratio": 0.9816107974864027,
            "cell_rmsd_from_input_A": 0.05210914640017632
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -8.764898157010208e-17,
              -1.0300634794976182e-16,
              0.13477991278912077
            ],
            "branch_aligned_reduced_polarization": [
              -8.764898157010208e-17,
              -1.0300634794976182e-16,
              0.13477991278912077
            ],
            "target_residual": 0.36522008721087923,
            "energy_eV": -11.323212410375117,
            "max_atomic_step_A": 0.06781602533845439,
            "max_log_strain_component": 0.02,
            "step_scale": 0.042186052585733255,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0033676020229392,
              0.999517400615692,
              0.9607894391523232
            ],
            "cell_volume_ratio": 0.9635597577418913,
            "cell_rmsd_from_input_A": 0.10219065887080175
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -1.4933282378536287e-16,
              1.1111691095473899e-16,
              0.1413839130817499
            ],
            "branch_aligned_reduced_polarization": [
              -1.4933282378536287e-16,
              1.1111691095473899e-16,
              0.1413839130817499
            ],
            "target_residual": 0.3586160869182501,
            "energy_eV": -12.661418869032687,
            "max_atomic_step_A": 0.039128356183629934,
            "max_log_strain_component": 0.02,
            "step_scale": 0.024442630464028295,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0050556534292432,
              0.9992761882688757,
              0.9417645335842487
            ],
            "cell_volume_ratio": 0.945840662222823,
            "cell_rmsd_from_input_A": 0.15032458894729558
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -1.8225688415761525e-17,
              1.4195240066621784e-16,
              0.1459335127603136
            ],
            "branch_aligned_reduced_polarization": [
              -1.8225688415761525e-17,
              1.4195240066621784e-16,
              0.14593351276031363
            ],
            "target_residual": 0.35406648723968637,
            "energy_eV": -11.511461189690351,
            "max_atomic_step_A": 0.0370683034475959,
            "max_log_strain_component": 0.02,
            "step_scale": 0.023796967308461238,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0067465447892634,
              0.9990350341335493,
              0.9231163463866358
            ],
            "cell_volume_ratio": 0.9284474067396123,
            "cell_rmsd_from_input_A": 0.1965878597329072
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -4.166559438274181e-16,
              3.208998720267477e-17,
              0.15163355942624238
            ],
            "branch_aligned_reduced_polarization": [
              -4.166559438274181e-16,
              3.208998720267477e-17,
              0.15163355942624235
            ],
            "target_residual": 0.34836644057375765,
            "energy_eV": -12.218933667806727,
            "max_atomic_step_A": 0.015080258826139144,
            "max_log_strain_component": 0.02,
            "step_scale": 0.016054428358733948,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.2607534000716367,
            "cell_principal_stretches": [
              1.0088031471574839,
              1.0004641979889264,
              0.9048374180359594
            ],
            "cell_volume_ratio": 0.9132265562208117,
            "cell_rmsd_from_input_A": 0.24108497050456934
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              3.873241592906442e-15,
              3.4229745381254985e-15,
              0.1568088793823534
            ],
            "branch_aligned_reduced_polarization": [
              3.873241592906442e-15,
              3.4229745381254985e-15,
              0.15680887938235344
            ],
            "target_residual": 0.34319112061764656,
            "energy_eV": -11.473097421204745
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Imm2",
        "spacegroup_number": 44,
        "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": 0.34319112061764656,
        "parent_symmetrization_rmsd_A": 0.05042702668384961,
        "parent_cell_rmsd_A": 0.24108497050456934,
        "energy_eV": -11.473097421204745,
        "reduced_polarization": [
          3.873241592906442e-15,
          3.4229745381254985e-15,
          0.1568088793823534
        ],
        "cartesian_polarization_e_A2": [
          3.792527479333182e-16,
          2.844226926501057e-16,
          0.006386828230691719
        ],
        "ranking_score": 1.297080510545285
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              -5.27723543150305e-19,
              0.0,
              0.12837869458099577
            ],
            "target_residual": 0.5162180636342752,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.004682460428361026,
            "step_scale": 0.0394374006539219,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.007147995068569,
              0.999606523147851,
              0.9976192371572925
            ],
            "cell_volume_ratio": 1.004354868593187,
            "cell_rmsd_from_input_A": 0.023928109086709712
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -5.40857735703163e-17,
              0.01817439861054963,
              0.12021905819928512
            ],
            "branch_aligned_reduced_polarization": [
              -5.40857735703163e-17,
              0.018174398610549647,
              0.12021905819928512
            ],
            "target_residual": 0.4965969513686412,
            "energy_eV": -12.899334834639111,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.006040500869400442,
            "step_scale": 0.0375038165555695,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0157286479162209,
              0.9990991560251462,
              0.9952574119810551
            ],
            "cell_volume_ratio": 1.010000791897398,
            "cell_rmsd_from_input_A": 0.05180487662891832
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -1.7004464511847687e-16,
              0.03454192558927558,
              0.11304841519605557
            ],
            "branch_aligned_reduced_polarization": [
              -1.7004464511847687e-16,
              0.0345419255892756,
              0.11304841519605557
            ],
            "target_residual": 0.47898973184451377,
            "energy_eV": -12.804343492420074,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.007592029999199113,
            "step_scale": 0.03680369841890147,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0258476354444455,
              0.9984618346532216,
              0.9930411084728547
            ],
            "cell_volume_ratio": 1.0171419303390645,
            "cell_rmsd_from_input_A": 0.08378644356458545
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -4.25026333254799e-16,
              0.05013205862816907,
              0.1060724624320756
            ],
            "branch_aligned_reduced_polarization": [
              -4.25026333254799e-16,
              0.05013205862816905,
              0.1060724624320756
            ],
            "target_residual": 0.4622039938820663,
            "energy_eV": -12.819521286606578,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.007251441207173482,
            "step_scale": 0.03687484661143395,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0359538079187818,
              0.9978534839851446,
              0.9905968979502823
            ],
            "cell_volume_ratio": 1.024009846702311,
            "cell_rmsd_from_input_A": 0.11653156861745358
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -7.468805860157272e-16,
              0.06592452864404365,
              0.09968890510146378
            ],
            "branch_aligned_reduced_polarization": [
              -7.468805860157272e-16,
              0.06592452864404363,
              0.09968890510146378
            ],
            "target_residual": 0.44537556357890173,
            "energy_eV": -12.966829007127421,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.012183473780312683,
            "step_scale": 0.04134371893081848,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.3954736957380509,
            "cell_principal_stretches": [
              1.0445271058422543,
              0.9965630488937994,
              0.9766303296427244
            ],
            "cell_volume_ratio": 1.0166107599575795,
            "cell_rmsd_from_input_A": 0.1675577302229403
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              4.482015317523046e-16,
              0.08267032064421008,
              0.091228590003381
            ],
            "branch_aligned_reduced_polarization": [
              4.482015317523046e-16,
              0.0826703206442101,
              0.091228590003381
            ],
            "target_residual": 0.42718464029645475,
            "energy_eV": -12.992453865436566
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Immm",
        "spacegroup_number": 71,
        "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": 0.5,
        "parent_symmetrization_rmsd_A": 0.6441323250156171,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -6.5476477112697715,
        "reduced_polarization": [
          -1.3213733232682948e-19,
          1.0199350825009556e-19,
          2.624800748907152e-18
        ],
        "cartesian_polarization_e_A2": [
          -5.283978406571914e-21,
          5.465933267292602e-21,
          1.078993694300866e-19
        ],
        "ranking_score": 1.644132325015617
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "target_residual": 0.5162180636342752,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.005995764222732563,
            "step_scale": 0.05049852732255202,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0066136956723177,
              1.0000723588817853,
              0.9989005123203618
            ],
            "cell_volume_ratio": 1.0055796936733103,
            "cell_rmsd_from_input_A": 0.01772149742611608
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.02221827206483727,
              1.444216174152443e-16,
              0.11840060053645109
            ],
            "branch_aligned_reduced_polarization": [
              0.022218272064837286,
              1.444216174152443e-16,
              0.11840060053645109
            ],
            "target_residual": 0.4922337673871045,
            "energy_eV": -12.870618984345711,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.007414895282301836,
            "step_scale": 0.04634342095396662,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0147551677706597,
              1.000161851551768,
              0.9976389345635883
            ],
            "cell_volume_ratio": 1.0125231163355088,
            "cell_rmsd_from_input_A": 0.03966726417543565
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.041834945484464016,
              -1.3154384049782925e-16,
              0.1101496095962176
            ],
            "branch_aligned_reduced_polarization": [
              0.04183494548446404,
              -1.3154384049782925e-16,
              0.1101496095962176
            ],
            "target_residual": 0.47121985704490765,
            "energy_eV": -12.738430825150303,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.00985872639133275,
            "step_scale": 0.046770272146779764,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0253305737517702,
              1.0002808519796378,
              0.9963053967173379
            ],
            "cell_volume_ratio": 1.0218292862490168,
            "cell_rmsd_from_input_A": 0.06836083235588093
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.06108868671789368,
              -5.207623740286509e-16,
              0.10212823302026684
            ],
            "branch_aligned_reduced_polarization": [
              0.06108868671789369,
              -5.207623740286509e-16,
              0.10212823302026684
            ],
            "target_residual": 0.45063656854150796,
            "energy_eV": -12.721333898686652,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.008525108909344836,
            "step_scale": 0.050446471660221676,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0346981092900283,
              1.0003837663022686,
              0.9950249263067217
            ],
            "cell_volume_ratio": 1.0299455166998384,
            "cell_rmsd_from_input_A": 0.0940442354082858
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.08207397542776934,
              -8.87982299618182e-17,
              0.09423629042426075
            ],
            "branch_aligned_reduced_polarization": [
              0.08207397542776934,
              -8.87982299618182e-17,
              0.09423629042426075
            ],
            "target_residual": 0.4284187676184067,
            "energy_eV": -12.901118915156697,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.007071576224074167,
            "step_scale": 0.05787050338389876,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.4214883853804408,
            "cell_principal_stretches": [
              1.0366355187318221,
              0.9991119452880496,
              0.9847718229332192
            ],
            "cell_volume_ratio": 1.019942879335038,
            "cell_rmsd_from_input_A": 0.10541073259326128
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.10493186163292062,
              -8.16296927995096e-16,
              0.0848949004959265
            ],
            "branch_aligned_reduced_polarization": [
              0.10493186163292062,
              -8.16296927995096e-16,
              0.0848949004959265
            ],
            "target_residual": 0.40408659725737384,
            "energy_eV": -13.024842076414448
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Immm",
        "spacegroup_number": 71,
        "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": 0.6441323250156171,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -6.5476477112697715,
        "reduced_polarization": [
          -1.3213733232682948e-19,
          1.0199350825009556e-19,
          2.624800748907152e-18
        ],
        "cartesian_polarization_e_A2": [
          -5.283978406571914e-21,
          5.465933267292602e-21,
          1.078993694300866e-19
        ],
        "ranking_score": 1.644132325015617
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              -5.27723543150305e-19,
              0.0,
              0.12837869458099577
            ],
            "target_residual": 0.62297864701876,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01232290776310468,
            "step_scale": 0.03585417345842042,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0010362597996554,
              1.0009272940369962,
              0.986690876432815
            ],
            "cell_volume_ratio": 0.9886292452173868,
            "cell_rmsd_from_input_A": 0.037088958883632395
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              2.742640939951414e-16,
              0.020315011524293086,
              0.13500638392270162
            ],
            "branch_aligned_reduced_polarization": [
              2.742640939951414e-16,
              0.020315011524293103,
              0.1350063839227016
            ],
            "target_residual": 0.6027586813527627,
            "energy_eV": -12.551618603928484,
            "max_atomic_step_A": 0.032745797771743024,
            "max_log_strain_component": 0.02,
            "step_scale": 0.01253444087495257,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0027203889889067,
              1.0004399147083014,
              0.9673907355835638
            ],
            "cell_volume_ratio": 0.9704491418162194,
            "cell_rmsd_from_input_A": 0.08670730100471849
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              7.058755861591646e-16,
              0.026763570306673465,
              0.13796336760966296
            ],
            "branch_aligned_reduced_polarization": [
              7.058755861591646e-16,
              0.02676357030667348,
              0.137963367609663
            ],
            "target_residual": 0.5958382679733006,
            "energy_eV": -12.248682176123019,
            "max_atomic_step_A": 0.03844332976648499,
            "max_log_strain_component": 0.02,
            "step_scale": 0.013390564797459219,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0044073515331922,
              1.000258258003215,
              0.9481784463678623
            ],
            "cell_volume_ratio": 0.9526033560182143,
            "cell_rmsd_from_input_A": 0.13570701455299383
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              1.3875004648836504e-15,
              0.03336332596056787,
              0.14117198119639685
            ],
            "branch_aligned_reduced_polarization": [
              1.3875004648836504e-15,
              0.03336332596056785,
              0.14117198119639685
            ],
            "target_residual": 0.5886487345073479,
            "energy_eV": -12.462684026977534,
            "max_atomic_step_A": 0.028897258367450315,
            "max_log_strain_component": 0.02,
            "step_scale": 0.011130158381856586,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0060971521993083,
              1.0001353090418976,
              0.9292931895370404
            ],
            "cell_volume_ratio": 0.9350857399892631,
            "cell_rmsd_from_input_A": 0.18303050780590868
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              1.5196801578754507e-15,
              0.03921877518859905,
              0.14401145727419498
            ],
            "branch_aligned_reduced_polarization": [
              1.5196801578754507e-15,
              0.039218775188599064,
              0.14401145727419495
            ],
            "target_residual": 0.5822775795878948,
            "energy_eV": -12.150653236951033,
            "max_atomic_step_A": 0.03622957282600544,
            "max_log_strain_component": 0.02,
            "step_scale": 0.01624811458662134,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.28461501501913894,
            "cell_principal_stretches": [
              1.0079372418894215,
              1.0061977959650703,
              0.9051218349780603
            ],
            "cell_volume_ratio": 0.9179602924040885,
            "cell_rmsd_from_input_A": 0.2527626067362703
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -2.1735075672323437e-14,
              0.0461899623376207,
              0.1483020519510828
            ],
            "branch_aligned_reduced_polarization": [
              -2.1735075672323437e-14,
              0.04618996233762068,
              0.14830205195108281
            ],
            "target_residual": 0.5741384823759412,
            "energy_eV": -12.314407687059711
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Imm2",
        "spacegroup_number": 44,
        "pointgroup": "mm2",
        "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": 0.6064487985566404,
        "parent_symmetrization_rmsd_A": 0.05042702668384961,
        "parent_cell_rmsd_A": 0.24108497050456934,
        "energy_eV": -11.473097421204745,
        "reduced_polarization": [
          3.873241592906442e-15,
          3.4229745381254985e-15,
          0.1568088793823534
        ],
        "cartesian_polarization_e_A2": [
          3.792527479333182e-16,
          2.844226926501057e-16,
          0.006386828230691719
        ],
        "ranking_score": 1.8235958664232728
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "target_residual": 0.62297864701876,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.014970514547106701,
            "step_scale": 0.04355753006127633,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.001450970676218,
              0.9998193536935858,
              0.9849521844807201
            ],
            "cell_volume_ratio": 0.9862031350754821,
            "cell_rmsd_from_input_A": 0.03970689748567162
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.024997134435051794,
              -1.4087483974086457e-16,
              0.13500783908128677
            ],
            "branch_aligned_reduced_polarization": [
              0.024997134435051804,
              -1.4087483974086457e-16,
              0.13500783908128677
            ],
            "target_residual": 0.5990383959539022,
            "energy_eV": -12.301679335285302,
            "max_atomic_step_A": 0.03676580846305084,
            "max_log_strain_component": 0.02,
            "step_scale": 0.015050648016938848,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0031054923004625,
              0.9995780684767923,
              0.9654779921048525
            ],
            "cell_volume_ratio": 0.9680676459050344,
            "cell_rmsd_from_input_A": 0.09019411274187741
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.032288738840397575,
              5.4142169854828796e-18,
              0.13836510260951126
            ],
            "branch_aligned_reduced_polarization": [
              0.03228873884039757,
              5.4142169854828796e-18,
              0.1383651026095113
            ],
            "target_residual": 0.5912136862642264,
            "energy_eV": -12.541473085718707,
            "max_atomic_step_A": 0.02627133960600837,
            "max_log_strain_component": 0.02,
            "step_scale": 0.01251581967469155,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.004803275508919,
              0.9993368414890739,
              0.9463506658817845
            ],
            "cell_volume_ratio": 0.9502656539176256,
            "cell_rmsd_from_input_A": 0.1388206459834066
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.038734803587955814,
              6.667609003753543e-16,
              0.1413005038031059
            ],
            "branch_aligned_reduced_polarization": [
              0.038734803587955835,
              6.667609003753543e-16,
              0.14130050380310588
            ],
            "target_residual": 0.584320896419893,
            "energy_eV": -12.173181262589212,
            "max_atomic_step_A": 0.036635942875508705,
            "max_log_strain_component": 0.02,
            "step_scale": 0.014302854583998189,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0065244538209497,
              0.9990956727163773,
              0.9275833634554289
            ],
            "cell_volume_ratio": 0.9327910263660184,
            "cell_rmsd_from_input_A": 0.18560486696353942
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.04551025645378111,
              8.976828359753787e-16,
              0.144551683656009
            ],
            "branch_aligned_reduced_polarization": [
              0.045510256453781095,
              8.976828359753787e-16,
              0.144551683656009
            ],
            "target_residual": 0.576978710682193,
            "energy_eV": -12.504049671106163,
            "max_atomic_step_A": 0.025398581407913165,
            "max_log_strain_component": 0.02,
            "step_scale": 0.015191372719173212,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.28976694295765654,
            "cell_principal_stretches": [
              1.0099889085207896,
              1.0003127855201757,
              0.906474203631091
            ],
            "cell_volume_ratio": 0.9158152557081902,
            "cell_rmsd_from_input_A": 0.23709765872346014
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.052021579096568224,
              -2.8835561052085387e-15,
              0.14869232087612586
            ],
            "branch_aligned_reduced_polarization": [
              0.05202157909656824,
              -2.8835561052085387e-15,
              0.14869232087612583
            ],
            "target_residual": 0.5692993509626857,
            "energy_eV": -11.997560117912393
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Imm2",
        "spacegroup_number": 44,
        "pointgroup": "mm2",
        "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": 0.60644879855664,
        "parent_symmetrization_rmsd_A": 0.05042702668384961,
        "parent_cell_rmsd_A": 0.24108497050456934,
        "energy_eV": -11.473097421204745,
        "reduced_polarization": [
          3.873241592906442e-15,
          3.4229745381254985e-15,
          0.1568088793823534
        ],
        "cartesian_polarization_e_A2": [
          3.792527479333182e-16,
          2.844226926501057e-16,
          0.006386828230691719
        ],
        "ranking_score": 1.8235958664232719
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              0.0,
              0.12837869458099577
            ],
            "target_residual": 0.7186661876158643,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0037234438079024857,
            "step_scale": 0.03136021062243404,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0058791256114024,
              0.9997386911584242,
              0.9978571588389676
            ],
            "cell_volume_ratio": 1.0034614045442583,
            "cell_rmsd_from_input_A": 0.01957227297513397
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.014335489217731553,
              0.01462979406687426,
              0.12120634042929006
            ],
            "branch_aligned_reduced_polarization": [
              0.014335489217731534,
              0.014629794066874258,
              0.12120634042929006
            ],
            "target_residual": 0.6972411568469019,
            "energy_eV": -12.919729421715376,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.005331717162308311,
            "step_scale": 0.029901546217576593,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0132162950919898,
              0.9993762217928513,
              0.9959060183456706
            ],
            "cell_volume_ratio": 1.0084387714114804,
            "cell_rmsd_from_input_A": 0.04263327306793748
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.027625639029099026,
              0.027832526931930508,
              0.11438999985613948
            ],
            "branch_aligned_reduced_polarization": [
              0.027625639029099036,
              0.0278325269319305,
              0.11438999985613948
            ],
            "target_residual": 0.6776169504913826,
            "energy_eV": -12.86808076743903,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.006342277459565388,
            "step_scale": 0.029120879623099994,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0216318568097957,
              0.9989469162924919,
              0.9939598653403433
            ],
            "cell_volume_ratio": 1.0143916973212028,
            "cell_rmsd_from_input_A": 0.06874794492613867
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.04048314747075431,
              0.04059339580532022,
              0.10736410213417627
            ],
            "branch_aligned_reduced_polarization": [
              0.04048314747075432,
              0.04059339580532023,
              0.10736410213417627
            ],
            "target_residual": 0.6585872881882474,
            "energy_eV": -12.915145308879136,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.004271441419087717,
            "step_scale": 0.02896005664312758,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0286467100090455,
              0.9986405939471545,
              0.9914065031878521
            ],
            "cell_volume_ratio": 1.0184207059258559,
            "cell_rmsd_from_input_A": 0.09257342043948677
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.05338589096807283,
              0.05332275987228794,
              0.10037279055733402
            ],
            "branch_aligned_reduced_polarization": [
              0.053385890968072836,
              0.05332275987228796,
              0.10037279055733402
            ],
            "target_residual": 0.639577529560536,
            "energy_eV": -12.971460439917749,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.015058646444592845,
            "step_scale": 0.035761523882072314,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.3978350504366821,
            "cell_principal_stretches": [
              1.039452423515647,
              1.0029294150754795,
              0.9669124369207369
            ],
            "cell_volume_ratio": 1.0080037122650902,
            "cell_rmsd_from_input_A": 0.1669906483073555
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.06855301056416269,
              0.06841682210738483,
              0.09084109569763413
            ],
            "branch_aligned_reduced_polarization": [
              0.06855301056416269,
              0.06841682210738481,
              0.09084109569763413
            ],
            "target_residual": 0.6169786453360302,
            "energy_eV": -12.613353338848071
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "Immm",
        "spacegroup_number": 71,
        "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": 0.7071067811865476,
        "parent_symmetrization_rmsd_A": 0.6441323250156171,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -6.5476477112697715,
        "reduced_polarization": [
          -1.3213733232682948e-19,
          1.0199350825009556e-19,
          2.624800748907152e-18
        ],
        "cartesian_polarization_e_A2": [
          -5.283978406571914e-21,
          5.465933267292602e-21,
          1.078993694300866e-19
        ],
        "ranking_score": 2.0583458873887124
      },
      "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": [
              -5.27723543150305e-19,
              9.324792870430576e-19,
              0.12837869458099577
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              0.0,
              0.12837869458099577
            ],
            "target_residual": 0.7988131162176325,
            "energy_eV": -12.953426516248085,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.010127314921752815,
            "step_scale": 0.029465976119672985,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0012052061639596,
              1.0005199048967792,
              0.9889390334872242
            ],
            "cell_volume_ratio": 0.9906456828141565,
            "cell_rmsd_from_input_A": 0.030854874660263407
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.016272619540937165,
              0.016350378917452665,
              0.13395376515256602
            ],
            "branch_aligned_reduced_polarization": [
              0.016272619540937172,
              0.016350378917452668,
              0.13395376515256602
            ],
            "target_residual": 0.7758214876020523,
            "energy_eV": -12.711398831634027,
            "max_atomic_step_A": 0.05646377403127762,
            "max_log_strain_component": 0.02,
            "step_scale": 0.014921896786286323,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0026694039855764,
              1.0003213945660945,
              0.9695280039944786
            ],
            "cell_volume_ratio": 0.9724284987336663,
            "cell_rmsd_from_input_A": 0.08102168220901
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.02386893227844014,
              0.023901908443579353,
              0.1355858400540443
            ],
            "branch_aligned_reduced_polarization": [
              0.023868932278440114,
              0.023901908443579367,
              0.13558584005404428
            ],
            "target_residual": 0.7656160045365138,
            "energy_eV": -12.03190692589113,
            "max_atomic_step_A": 0.06913057119144628,
            "max_log_strain_component": 0.02,
            "step_scale": 0.01750073885149603,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.0043737064866936,
              1.0002123644979948,
              0.950187802874275
            ],
            "cell_volume_ratio": 0.9545463141404594,
            "cell_rmsd_from_input_A": 0.13057273951491805
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.031461216571062156,
              0.03149234091820015,
              0.13731525076006987
            ],
            "branch_aligned_reduced_polarization": [
              0.031461216571062156,
              0.031492340918200135,
              0.1373152507600699
            ],
            "target_residual": 0.7553596795743125,
            "energy_eV": -12.73235335733514,
            "max_atomic_step_A": 0.05876410240608204,
            "max_log_strain_component": 0.02,
            "step_scale": 0.013696216280469239,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.2750070425015419,
            "cell_principal_stretches": [
              1.006097694744769,
              1.0001681035259224,
              0.9311575686999549
            ],
            "cell_volume_ratio": 0.9369929686611227,
            "cell_rmsd_from_input_A": 0.17849590194403162
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.03811884153721511,
              0.03815301313054033,
              0.13711352295166607
            ],
            "branch_aligned_reduced_polarization": [
              0.03811884153721512,
              0.038153013130540314,
              0.13711352295166607
            ],
            "target_residual": 0.7472104382621231,
            "energy_eV": -11.79682687729376,
            "max_atomic_step_A": 0.0902533625262222,
            "max_log_strain_component": 0.02,
            "step_scale": 0.023331969848384343,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.253687398688316,
            "cell_principal_stretches": [
              1.011775786591223,
              1.0037333741863235,
              0.9039870899432821
            ],
            "cell_volume_ratio": 0.9180469134240543,
            "cell_rmsd_from_input_A": 0.2573798222139517
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.0462115211364029,
              0.04608124799700729,
              0.13880684537278928
            ],
            "branch_aligned_reduced_polarization": [
              0.04621152113640292,
              0.0460812479970073,
              0.1388068453727893
            ],
            "target_residual": 0.736496240261176,
            "energy_eV": -12.855544106021965
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Imm2",
        "spacegroup_number": 44,
        "pointgroup": "mm2",
        "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": 0.7859899142296858,
        "parent_symmetrization_rmsd_A": 0.05042702668384961,
        "parent_cell_rmsd_A": 0.24108497050456934,
        "energy_eV": -11.473097421204745,
        "reduced_polarization": [
          3.873241592906442e-15,
          3.4229745381254985e-15,
          0.1568088793823534
        ],
        "cartesian_polarization_e_A2": [
          3.792527479333182e-16,
          2.844226926501057e-16,
          0.006386828230691719
        ],
        "ranking_score": 2.1826780977693634
      },
      "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
        ],
        "endpoint_rmsd_A": 0.6441323250156171,
        "minimum_distance_A_by_image": [
          1.2789258299999997,
          1.3927934137499998,
          1.5066609975,
          1.6205285812499999,
          1.734396165,
          1.8482637487499998,
          1.9621313324999994,
          2.075998916249999,
          2.1898665
        ],
        "minimum_distance_A": 1.2789258299999997,
        "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": [
          106.54303652684601,
          106.54303652684601,
          106.54303652684601,
          106.54303652684601,
          106.54303652684601,
          106.54303652684601,
          106.54303652684601,
          106.54303652684601,
          106.54303652684601
        ],
        "cell_deformation_log_strain_norm": 0.0
      },
      "parent_reduced_polarization": [
        -2.5970829108687006e-18,
        2.4067485467461045e-19,
        1.0751975778397429e-17
      ],
      "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": [
          -12.953426516248086,
          -12.740509705576812,
          -12.144987736298429,
          -11.280978601348453,
          -10.074538727689152,
          -8.625976849075537,
          -7.464525384010498,
          -6.780816255543885,
          -6.547647711269775
        ],
        "cartesian_polarizations_e_A2": [
          [
            6.279711002795998e-21,
            3.674381103091634e-20,
            0.005277345413481177
          ],
          [
            -2.4713912133516214e-20,
            7.934030508517869e-20,
            0.004763272341215141
          ],
          [
            -2.788891069557149e-20,
            -6.375556867218943e-20,
            0.0043352224703747015
          ],
          [
            -1.4305240108492707e-19,
            -2.2275180396621e-19,
            0.004189469073343439
          ],
          [
            -3.2572151719834225e-20,
            6.593474473706568e-20,
            0.0038649414934534628
          ],
          [
            -8.219277608788816e-20,
            -3.342982048856006e-20,
            0.0033780736310236787
          ],
          [
            -1.0634707739337962e-19,
            -2.1958651079634146e-19,
            0.0042293010294624
          ],
          [
            1.4299969293496844e-19,
            7.32145923293804e-22,
            0.003795488523077563
          ],
          [
            -1.0385354221594808e-19,
            1.2898004170432414e-20,
            4.419883707743047e-19
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657523e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912877e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295131e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303158e-18,
            1.3661734897968886e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.0751975778397429e-17
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657525e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912879e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295132e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303159e-18,
            1.3661734897968988e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.3877787807814457e-17
          ]
        ],
        "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,
            0.0,
            0.1283786945809957
          ],
          [
            0.0,
            0.0,
            0.11587315917143814
          ],
          [
            0.0,
            0.0,
            0.10546025659854963
          ],
          [
            0.0,
            0.0,
            0.10191460449970846
          ],
          [
            0.0,
            0.0,
            0.09402002421406397
          ],
          [
            0.0,
            0.0,
            0.08217629299789075
          ],
          [
            0.0,
            0.0,
            0.10288357168463003
          ],
          [
            0.0,
            0.0,
            0.09233048506643615
          ],
          [
            0.0,
            0.0,
            0.0
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -6.547647711269771,
          -6.780816255543884,
          -7.464525384010498,
          -8.625976849075537,
          -10.074538727689152,
          -11.280978601348457,
          -12.144987736298425,
          -12.740509705576809,
          -12.953426516248086
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.090354245623918e-19,
            -1.5373991637994919e-19,
            3.5956218691128045e-19
          ],
          [
            -1.88072145469604e-19,
            -2.3821575149442334e-20,
            -0.0037954885230775523
          ],
          [
            -8.929843357599851e-20,
            1.407409696384765e-20,
            -0.004229301029462404
          ],
          [
            1.6211923418899438e-17,
            -2.278558084505967e-17,
            -0.00337807363102366
          ],
          [
            -4.606986173433706e-20,
            -1.4006427398578086e-21,
            -0.0038649414934534636
          ],
          [
            -8.09449361168743e-20,
            3.6689863948926095e-20,
            -0.004189469073343441
          ],
          [
            -1.1069727668147846e-19,
            -1.3052310733356658e-19,
            -0.0043352224703747015
          ],
          [
            -7.795662079427158e-20,
            -2.403582219424857e-19,
            -0.004763272341215131
          ],
          [
            -1.4016000125709565e-19,
            1.9070655355974583e-19,
            -0.005277345413481179
          ]
        ],
        "raw_reduced_polarization": [
          [
            2.726667109933358e-18,
            -2.8687641547870997e-18,
            8.746845347367338e-18
          ],
          [
            -4.703151617052063e-18,
            -4.44507077331805e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425298012e-18,
            -2.6135786856008185e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005405e-18,
            -0.12837869458099582
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            2.726667109933358e-18,
            -2.8687641547870997e-18,
            8.746845347367338e-18
          ],
          [
            -4.703151617052063e-18,
            -4.445070773318052e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425297927e-18,
            -2.6135786855993714e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005406e-18,
            -0.12837869458099582
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -5.351203605741375e-18,
          -2.0428438280975692e-19,
          -0.12837869458099577
        ],
        "actual_opposite_endpoint_branch_residual": 5.566915960056552e-17
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657523e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912877e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295131e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303158e-18,
            1.3661734897968886e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.0751975778397429e-17
          ],
          [
            -4.703151617052063e-18,
            -4.44507077331805e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425298012e-18,
            -2.6135786856008185e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005405e-18,
            -0.12837869458099582
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.5703778400397388e-19,
            6.856340921589777e-19,
            0.12837869458099577
          ],
          [
            -6.180249367826501e-19,
            1.4804783859497277e-18,
            0.1158731591714381
          ],
          [
            -6.9742265718395e-19,
            -1.1896695040657525e-18,
            0.10546025659854959
          ],
          [
            -3.57733533483028e-18,
            -4.1565157942011706e-18,
            0.1019146044997085
          ],
          [
            -8.145372492534368e-19,
            1.2303326078912879e-18,
            0.09402002421406398
          ],
          [
            -2.0554085072115345e-18,
            -6.237955176295132e-19,
            0.08217629299789077
          ],
          [
            -2.6594391623626718e-18,
            -4.097451890701509e-18,
            0.10288357168463007
          ],
          [
            3.576017253303159e-18,
            1.3661734897968988e-20,
            0.09233048506643615
          ],
          [
            -2.5970829108687006e-18,
            2.4067485467461045e-19,
            1.3877787807814457e-17
          ],
          [
            -4.703151617052063e-18,
            -4.44507077331805e-19,
            -0.09233048506643589
          ],
          [
            -2.2331008732021458e-18,
            2.626205726631307e-19,
            -0.10288357168463018
          ],
          [
            4.054142821242185e-16,
            -4.2517557647661015e-16,
            -0.08217629299789031
          ],
          [
            -1.1520767425297927e-18,
            -2.6135786855993714e-20,
            -0.094020024214064
          ],
          [
            -2.0242035642209492e-18,
            6.846274475691205e-19,
            -0.10191460449970853
          ],
          [
            -2.768225323998859e-18,
            -2.4355419237030336e-18,
            -0.10546025659854959
          ],
          [
            -1.9494742628314888e-18,
            -4.48504895574988e-18,
            -0.11587315917143784
          ],
          [
            -3.505004608270748e-18,
            3.558556150005406e-18,
            -0.12837869458099582
          ]
        ],
        "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,
            0.0,
            0.1283786945809957
          ],
          [
            0.0,
            0.0,
            0.11587315917143814
          ],
          [
            0.0,
            0.0,
            0.10546025659854963
          ],
          [
            0.0,
            0.0,
            0.10191460449970846
          ],
          [
            0.0,
            0.0,
            0.09402002421406397
          ],
          [
            0.0,
            0.0,
            0.08217629299789075
          ],
          [
            0.0,
            0.0,
            0.10288357168463003
          ],
          [
            0.0,
            0.0,
            0.09233048506643615
          ],
          [
            0.0,
            0.0,
            0.0
          ],
          [
            0.0,
            0.0,
            -0.09233048506643587
          ],
          [
            0.0,
            0.0,
            -0.10288357168463019
          ],
          [
            4.440892098500626e-16,
            -4.440892098500626e-16,
            -0.08217629299789031
          ],
          [
            0.0,
            0.0,
            -0.09402002421406397
          ],
          [
            0.0,
            0.0,
            -0.10191460449970852
          ],
          [
            0.0,
            0.0,
            -0.10546025659854957
          ],
          [
            0.0,
            0.0,
            -0.11587315917143781
          ],
          [
            0.0,
            0.0,
            -0.12837869458099582
          ]
        ]
      },
      "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": "Immm",
        "spacegroup_number": 71,
        "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": 2.630103024937076e-18,
        "parent_symmetrization_rmsd_A": 0.6441323250156171,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -6.5476477112697715,
        "reduced_polarization": [
          -1.3213733232682948e-19,
          1.0199350825009556e-19,
          2.624800748907152e-18
        ],
        "cartesian_polarization_e_A2": [
          -5.283978406571914e-21,
          5.465933267292602e-21,
          1.078993694300866e-19
        ],
        "ranking_score": 0.6441323250156171
      }
    }
  ],
  "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": 170,
      "full_response": 41,
      "energy_polarization": 129
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 195,
      "full_response": 66,
      "energy_polarization": 129
    },
    "elapsed_seconds": 95.26509598997654
  }
}
