{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 4,
  "input_formula": "I2Li2",
  "input_spacegroup": "P6_3mc",
  "input_pointgroup": "6mm",
  "input_is_polar_point_group": true,
  "input_energy_eV": -11.828909899682381,
  "input_cartesian_polarization_e_A2": [
    -7.015408058881695e-20,
    -0.0002576026447314582,
    -6.271861063542189e-18
  ],
  "input_reduced_polarization": [
    -1.0835660426648442e-16,
    -0.00465121945982886,
    -2.125944308978958e-16
  ],
  "input_formal_targets": [
    {
      "orbit_id": 0,
      "representative_formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 1,
      "representative_formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 2,
      "representative_formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        -0.5
      ]
    },
    {
      "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": [
        0.5,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 5,
      "representative_formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ]
    },
    {
      "orbit_id": 6,
      "representative_formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        -0.5,
        0.0,
        -0.5
      ]
    },
    {
      "orbit_id": 7,
      "representative_formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        -0.5
      ]
    }
  ],
  "parent_candidates": [
    {
      "candidate_id": "inversion_parent_endpoint_00",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "P6_3/mmc",
      "spacegroup_number": 194,
      "pointgroup": "6/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": 7.47733014740403e-18,
      "parent_symmetrization_rmsd_A": 0.6513378350397896,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -11.484788971373632,
      "reduced_polarization": [
        -4.1279263365705226e-18,
        3.1267217425063055e-19,
        -6.226791019825061e-18
      ],
      "cartesian_polarization_e_A2": [
        -3.4560434782708637e-20,
        1.7317002501503428e-20,
        -1.8369986449368232e-19
      ],
      "ranking_score": 0.6513378350397896
    },
    {
      "candidate_id": "inversion_parent_endpoint_01",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "Fmmm",
      "spacegroup_number": 69,
      "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": 4.563774671062938e-18,
      "parent_symmetrization_rmsd_A": 0.926602568427096,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -10.212065094462286,
      "reduced_polarization": [
        3.152705095959254e-18,
        -1.6195924430262387e-18,
        -2.8749626336076928e-18
      ],
      "cartesian_polarization_e_A2": [
        1.5636668474887191e-19,
        -8.96993359083499e-20,
        -8.481579750093666e-20
      ],
      "ranking_score": 0.926602568427096
    },
    {
      "candidate_id": "inversion_parent_endpoint_02",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "Fmmm",
      "spacegroup_number": 69,
      "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": 3.546967449252162e-18,
      "parent_symmetrization_rmsd_A": 0.9266053775483353,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -10.212065306530135,
      "reduced_polarization": [
        -1.0281099118483989e-18,
        -4.708854452228837e-19,
        -3.36187968147147e-18
      ],
      "cartesian_polarization_e_A2": [
        2.2238932262482778e-20,
        -2.60794695031286e-20,
        -9.918059558512747e-20
      ],
      "ranking_score": 0.9266053775483353
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P6_3mc",
      "spacegroup_number": 186,
      "pointgroup": "6mm",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 4.9366383416803116e-05,
      "parent_symmetrization_rmsd_A": 0.01069521295399224,
      "parent_cell_rmsd_A": 0.008372763436313687,
      "energy_eV": -11.829074417988611,
      "reduced_polarization": [
        6.710256437424023e-16,
        -4.9366383416803116e-05,
        8.254196019381448e-17
      ],
      "cartesian_polarization_e_A2": [
        2.143857195150978e-17,
        -2.737132988721965e-06,
        2.433562657564309e-18
      ],
      "ranking_score": 0.5128871365799043
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "P6_3/mmc",
      "spacegroup_number": 194,
      "pointgroup": "6/mmm",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 1.519641223301232e-15,
      "parent_symmetrization_rmsd_A": 0.6513378350397896,
      "parent_cell_rmsd_A": 0.008372763436313687,
      "energy_eV": -11.484159595813525,
      "reduced_polarization": [
        2.071089101300862e-17,
        -1.4568492547472682e-15,
        4.3182259724595327e-16
      ],
      "cartesian_polarization_e_A2": [
        -6.6449591975701e-18,
        -8.077541595656931e-17,
        1.2730563131111775e-17
      ],
      "ranking_score": 0.653431025898871
    },
    {
      "candidate_id": "bec_projection_01",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P6_3mc",
      "spacegroup_number": 186,
      "pointgroup": "6mm",
      "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": 0.025702149114701922,
      "parent_symmetrization_rmsd_A": 0.8935798822086543,
      "parent_cell_rmsd_A": 0.5193603601834305,
      "energy_eV": 4.766264290139627,
      "reduced_polarization": [
        1.5247592439892209e-13,
        -0.5257021491147019,
        3.013667326239939e-13
      ],
      "cartesian_polarization_e_A2": [
        -8.372794101667974e-16,
        -0.026917732621089187,
        1.0645601511490564e-14
      ],
      "ranking_score": 1.5748242704839157
    },
    {
      "candidate_id": "bec_projection_02",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_residual": 0.14550964137331138,
      "parent_symmetrization_rmsd_A": 0.5621683003027264,
      "parent_cell_rmsd_A": 0.6524097396083995,
      "energy_eV": -7.672630174455701,
      "reduced_polarization": [
        0.00037514484172629885,
        0.019558219164900876,
        -0.3558112658283071
      ],
      "cartesian_polarization_e_A2": [
        0.006136726154471108,
        -0.0001654924770655311,
        -0.010661179405880346
      ],
      "ranking_score": 1.516290017951449
    },
    {
      "candidate_id": "bec_projection_03",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cc",
      "spacegroup_number": 9,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        0.0,
        0.0
      ],
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_residual": 0.15713265006186336,
      "parent_symmetrization_rmsd_A": 0.5686864636323926,
      "parent_cell_rmsd_A": 0.5914636244893086,
      "energy_eV": -7.982797063765769,
      "reduced_polarization": [
        -0.34410455616892344,
        0.019679438715965634,
        -1.4635351647095002e-08
      ],
      "cartesian_polarization_e_A2": [
        -0.011860749270619567,
        -3.3991109349122747e-06,
        7.453269134373937e-10
      ],
      "ranking_score": 1.5308176698784466
    },
    {
      "candidate_id": "bec_projection_04",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cc",
      "spacegroup_number": 9,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 0.46979367924480875,
      "parent_symmetrization_rmsd_A": 0.5429360429593043,
      "parent_cell_rmsd_A": 0.6284327289147823,
      "energy_eV": -9.281349304521227,
      "reduced_polarization": [
        -0.14633214225048002,
        -0.19076683966102828,
        -1.0654150491307798e-07
      ],
      "cartesian_polarization_e_A2": [
        -0.006023658045650339,
        -0.010456422252837449,
        -4.647172869005267e-09
      ],
      "ranking_score": 2.1396315836776174
    },
    {
      "candidate_id": "bec_projection_05",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 0.46713888779747137,
      "parent_symmetrization_rmsd_A": 0.5397548964655082,
      "parent_cell_rmsd_A": 0.6539366200136341,
      "energy_eV": -9.14522502229641,
      "reduced_polarization": [
        0.0001652411582437908,
        -0.19445936359663538,
        -0.14663951452624877
      ],
      "cartesian_polarization_e_A2": [
        0.0030344009464219044,
        -0.01066429124795449,
        -0.0052809948904005526
      ],
      "ranking_score": 2.1375168270638594
    },
    {
      "candidate_id": "bec_projection_06",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        -0.5,
        0.0,
        -0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 0.20458608621561292,
      "parent_symmetrization_rmsd_A": 0.5621705308094733,
      "parent_cell_rmsd_A": 0.4429167997336173,
      "energy_eV": -7.67263140124106,
      "reduced_polarization": [
        -0.3561861195123199,
        0.019558383518672232,
        -0.3558108738973913
      ],
      "cartesian_polarization_e_A2": [
        -0.006136721162767006,
        -0.00016548131542138358,
        -0.010661165888603798
      ],
      "ranking_score": 1.5820719031741035
    },
    {
      "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": 0.5856327081213547,
      "parent_symmetrization_rmsd_A": 0.5397561880484654,
      "parent_cell_rmsd_A": 0.5084490359129391,
      "energy_eV": -9.145230079684872,
      "reduced_polarization": [
        -0.14680487071180012,
        -0.19445913556232497,
        -0.1466394905661896
      ],
      "cartesian_polarization_e_A2": [
        -0.003034406107252192,
        -0.010664281275089884,
        -0.0052809915810225865
      ],
      "ranking_score": 2.3381338632694098
    }
  ],
  "formal_branches": [
    {
      "orbit_id": 0,
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "target_residual": 0.00465121945982886,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.007572116443721174,
            "max_log_strain_component": 0.001249947823265007,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0012507293336272,
              0.9994462678786525,
              0.9994462630298802
            ],
            "cell_volume_ratio": 1.0001421821035288,
            "cell_rmsd_from_input_A": 0.008372763436313687
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              6.710256437424023e-16,
              -4.9366383416803116e-05,
              8.254196019381448e-17
            ],
            "branch_aligned_reduced_polarization": [
              6.710256437424023e-16,
              -4.9366383416803116e-05,
              8.254196019381448e-17
            ],
            "target_residual": 4.9366383416803116e-05,
            "energy_eV": -11.829074417988611
          }
        ],
        "iterations": 1
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 4.9366383416803116e-05,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 0.5128871365799043
      },
      "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": [
          -11.828909899682381,
          -11.828981322391334,
          -11.829037938247298,
          -11.82907988676886,
          -11.82910730627627,
          -11.82912033387975,
          -11.829119105468317,
          -11.829103755699329,
          -11.829074417988615
        ],
        "cartesian_polarizations_e_A2": [
          [
            -7.015408058881695e-20,
            -0.0002576026447314582,
            -6.271861063542189e-18
          ],
          [
            1.6128843624500422e-17,
            -0.00022550325184418046,
            7.78470069710629e-18
          ],
          [
            2.035789548738454e-17,
            -0.00019347023332230609,
            -4.436147129695558e-18
          ],
          [
            2.70269170538456e-18,
            -0.00016150485389084494,
            -3.877849715869969e-18
          ],
          [
            1.5925709941641438e-17,
            -0.00012960838318584698,
            1.150581468136919e-17
          ],
          [
            1.4249369492999833e-17,
            -9.778209541107632e-05,
            -3.7724158716149e-18
          ],
          [
            1.3989376698448947e-17,
            -6.602726899398218e-05,
            6.0335238510919325e-18
          ],
          [
            1.0005700978699642e-17,
            -3.4345186240333835e-05,
            1.4466464331208297e-17
          ],
          [
            1.4338265250224966e-17,
            -2.7371329887142815e-06,
            6.635917516930472e-18
          ]
        ],
        "raw_reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.6384573674427314e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224421e-16
          ],
          [
            1.308919632201675e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.9002430714518224e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152934e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.0453161309281967e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.936638341666454e-05,
            2.250864632245426e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.638457367442732e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224424e-16
          ],
          [
            1.3089196322016718e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.900243071451822e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152931e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.045316130928197e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.9366383416664535e-05,
            2.250864632245426e-16
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.1102230246251565e-16,
            -0.004651219459828881,
            -2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.004071075768471322,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.003492290753907501,
            -1.6653345369377348e-16
          ],
          [
            0.0,
            -0.002914886711241238,
            -1.1102230246251565e-16
          ],
          [
            6.661338147750939e-16,
            -0.002338886011701735,
            4.440892098500626e-16
          ],
          [
            3.3306690738754696e-16,
            -0.0017643110963918018,
            -1.1102230246251565e-16
          ],
          [
            5.551115123125783e-16,
            -0.0011911844700286944,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.0006195286946656386,
            4.440892098500626e-16
          ],
          [
            5.551115123125783e-16,
            -4.9366383416682424e-05,
            2.220446049250313e-16
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -11.829074417988611,
          -11.829072176751136,
          -11.82906118420143,
          -11.829041487180003,
          -11.829013132448114,
          -11.828976166688673,
          -11.828930636507152,
          -11.828876588432502,
          -11.828814068918042
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.300206154887861e-17,
            -2.7371329887271344e-06,
            2.6755571425940763e-18
          ],
          [
            1.804902225881225e-17,
            1.6469999585382427e-05,
            2.153131905595555e-18
          ],
          [
            2.214450111639212e-17,
            3.5589137662680626e-05,
            7.504376714311888e-18
          ],
          [
            2.5136539371099638e-17,
            5.461991667595275e-05,
            1.0760470601411036e-17
          ],
          [
            1.7623677871896675e-17,
            7.356197544104443e-05,
            6.017163870979492e-18
          ],
          [
            2.027150214167145e-17,
            9.241495621916621e-05,
            7.702038512839175e-18
          ],
          [
            2.4018250360149923e-17,
            0.00011117850477851804,
            -1.566813566242775e-18
          ],
          [
            7.309708538579982e-18,
            0.00012985227045475138,
            -4.07663226631496e-18
          ],
          [
            2.472317891458571e-17,
            0.00014843590621094332,
            1.6305278521774355e-17
          ]
        ],
        "raw_reduced_polarization": [
          [
            4.2730139796392353e-16,
            -4.936638341689636e-05,
            9.075044981643653e-17
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308434e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.3067841537436206e-17
          ],
          [
            1.4564123947768145e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            4.2730139796392353e-16,
            -4.936638341689636e-05,
            9.075044981643653e-17
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308434e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.30678415374362e-17
          ],
          [
            1.456412394776814e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          1.175098602326463e-15,
          0.004552377258619948,
          6.624638057786111e-16
        ],
        "actual_opposite_endpoint_branch_residual": 0.001872249590577575
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.6384573674427314e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224421e-16
          ],
          [
            1.308919632201675e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.9002430714518224e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152934e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.0453161309281967e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.936638341666454e-05,
            2.250864632245426e-16
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308434e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.3067841537436206e-17
          ],
          [
            1.4564123947768145e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.638457367442732e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224424e-16
          ],
          [
            1.3089196322016718e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.900243071451822e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152931e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.045316130928197e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.9366383416664535e-05,
            2.250864632245426e-16
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308436e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.30678415374362e-17
          ],
          [
            1.456412394776814e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.1102230246251565e-16,
            -0.004651219459828881,
            -2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.004071075768471322,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.003492290753907501,
            -1.6653345369377348e-16
          ],
          [
            0.0,
            -0.002914886711241238,
            -1.1102230246251565e-16
          ],
          [
            6.661338147750939e-16,
            -0.002338886011701735,
            4.440892098500626e-16
          ],
          [
            3.3306690738754696e-16,
            -0.0017643110963918018,
            -1.1102230246251565e-16
          ],
          [
            5.551115123125783e-16,
            -0.0011911844700286944,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.0006195286946656386,
            4.440892098500626e-16
          ],
          [
            5.551115123125783e-16,
            -4.9366383416682424e-05,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            0.00029709075597594836,
            1.1102230246251565e-16
          ],
          [
            7.771561172376096e-16,
            0.0006420563614308872,
            2.220446049250313e-16
          ],
          [
            8.881784197001252e-16,
            0.0009855232153724858,
            3.3306690738754696e-16
          ],
          [
            6.661338147750939e-16,
            0.0013274841574522078,
            2.220446049250313e-16
          ],
          [
            7.771561172376096e-16,
            0.0016679320857145852,
            2.220446049250313e-16
          ],
          [
            6.661338147750939e-16,
            0.0020068599577509616,
            -5.551115123125783e-17
          ],
          [
            1.1102230246251565e-16,
            0.0023442607918338076,
            -1.1102230246251565e-16
          ],
          [
            9.992007221626409e-16,
            0.002680127668042376,
            5.551115123125783e-16
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ]
    },
    {
      "orbit_id": 1,
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.0835660426648442e-16,
              -0.004651219459828881,
              -2.125944308978958e-16
            ],
            "target_residual": 0.4953487805401711,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.019808694161878103,
            "step_scale": 0.14880574393661816,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0088164800842894,
              1.0088164025223836,
              0.9803862089732402
            ],
            "cell_volume_ratio": 0.9977494489696588,
            "cell_rmsd_from_input_A": 0.13019741509778818
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -4.058649651861648e-15,
              -0.08508342515937121,
              3.9769270938928395e-15
            ],
            "branch_aligned_reduced_polarization": [
              -4.058649651861648e-15,
              -0.08508342515937123,
              3.9769270938928395e-15
            ],
            "target_residual": 0.41491657484062877,
            "energy_eV": -11.635625230949671,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0168409985216191,
            "step_scale": 0.19785313182063363,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0163732019579927,
              1.016373057379402,
              0.9640137772857732
            ],
            "cell_volume_ratio": 0.9958400546526385,
            "cell_rmsd_from_input_A": 0.23730958855981124
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -6.024704659584482e-15,
              -0.17021199601696055,
              5.739795714020117e-15
            ],
            "branch_aligned_reduced_polarization": [
              -6.024704659584482e-15,
              -0.17021199601696058,
              5.739795714020117e-15
            ],
            "target_residual": 0.3297880039830394,
            "energy_eV": -10.810957793657089,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.015172879327417748,
            "step_scale": 0.2686785338260283,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.023229882848705,
              1.0232296770357967,
              0.949497319298362
            ],
            "cell_volume_ratio": 0.9941229171489202,
            "cell_rmsd_from_input_A": 0.3311071212886311
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -6.404968958106327e-15,
              -0.2620261898572594,
              4.436601106475081e-15
            ],
            "branch_aligned_reduced_polarization": [
              -6.404968958106327e-15,
              -0.2620261898572594,
              4.436601106475081e-15
            ],
            "target_residual": 0.2379738101427406,
            "energy_eV": -8.616046300477546,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.01431571274728335,
            "step_scale": 0.38934015253972215,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0297416123025334,
              1.0297413479633102,
              0.9360014206116588
            ],
            "cell_volume_ratio": 0.9925055012587741,
            "cell_rmsd_from_input_A": 0.41733929555705196
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -2.941940153255448e-15,
              -0.35918687445656644,
              -8.713023245606018e-15
            ],
            "branch_aligned_reduced_polarization": [
              -2.941940153255448e-15,
              -0.35918687445656644,
              -8.713023245606018e-15
            ],
            "target_residual": 0.14081312554343356,
            "energy_eV": -3.5170212668410157,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016888473726131708,
            "step_scale": 0.8844489538400828,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.0665106612414492,
            "cell_principal_stretches": [
              1.0400218160034285,
              1.040021492445345,
              0.9203265203478643
            ],
            "cell_volume_ratio": 0.9954666170702916,
            "cell_rmsd_from_input_A": 0.5193603601834305
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              1.5247592439892209e-13,
              -0.5257021491147019,
              3.013667326239939e-13
            ],
            "branch_aligned_reduced_polarization": [
              1.5247592439892209e-13,
              -0.5257021491147019,
              3.013667326239939e-13
            ],
            "target_residual": 0.025702149114701922,
            "energy_eV": 4.766264290139627
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "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": 0.4999506336165832,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 1.512689671046237
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 2,
      "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": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.220446049250313e-16
            ],
            "target_residual": 0.5000216333744604,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01654233811266093,
            "step_scale": 0.23286670161815018,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0193688340491973,
              0.9998710268175512,
              0.9811582111925881
            ],
            "cell_volume_ratio": 1.0000331076719569,
            "cell_rmsd_from_input_A": 0.12027104209334016
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              3.246289422301504e-10,
              0.0017507751418396455,
              -0.10898396458125349
            ],
            "branch_aligned_reduced_polarization": [
              3.246289422301504e-10,
              0.0017507751418396455,
              -0.10898396458125348
            ],
            "target_residual": 0.3910199549488385,
            "energy_eV": -11.714598444600446,
            "max_atomic_step_A": 0.11873532996081469,
            "max_log_strain_component": 0.02,
            "step_scale": 0.2576899835945199,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0418947058840693,
              1.0020488726617072,
              0.9573243379409708
            ],
            "cell_volume_ratio": 0.999474768949334,
            "cell_rmsd_from_input_A": 0.26598508540440574
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -3.504993725063828e-10,
              0.0046875384744858055,
              -0.19476235705505734
            ],
            "branch_aligned_reduced_polarization": [
              -3.504993725063828e-10,
              0.0046875384744858055,
              -0.19476235705505734
            ],
            "target_residual": 0.3052736341178748,
            "energy_eV": -11.270831520389535,
            "max_atomic_step_A": 0.10318104138004588,
            "max_log_strain_component": 0.019999999999999997,
            "step_scale": 0.2576620450972377,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.064593650411889,
              1.0051563836916197,
              0.9332739873402065
            ],
            "cell_volume_ratio": 0.9986807250212827,
            "cell_rmsd_from_input_A": 0.4131280436038416
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -6.950105289653902e-10,
              0.008089264858496986,
              -0.26448162744090326
            ],
            "branch_aligned_reduced_polarization": [
              -6.950105289653902e-10,
              0.008089264858496986,
              -0.26448162744090326
            ],
            "target_residual": 0.23565725114843467,
            "energy_eV": -10.354555816457196,
            "max_atomic_step_A": 0.09595276010135173,
            "max_log_strain_component": 0.02,
            "step_scale": 0.30357024855257564,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0871587640378917,
              1.010116526446202,
              0.9082668767460632
            ],
            "cell_volume_ratio": 0.9974196598343691,
            "cell_rmsd_from_input_A": 0.5632353453616301
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -1.5474324201218505e-09,
              0.016919368454716904,
              -0.32117381206881956
            ],
            "branch_aligned_reduced_polarization": [
              -1.5474324201218505e-09,
              0.016919368454716904,
              -0.32117381206881956
            ],
            "target_residual": 0.1796248048541858,
            "energy_eV": -8.93628466605851,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.017089153514389332,
            "step_scale": 0.22731468451948067,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.844275464939323,
            "cell_principal_stretches": [
              1.0901877281830772,
              1.0218864750878203,
              0.8846404830003134
            ],
            "cell_volume_ratio": 0.9855320446137221,
            "cell_rmsd_from_input_A": 0.6524097396083995
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.00037514484172629885,
              0.019558219164900876,
              -0.3558112658283071
            ],
            "branch_aligned_reduced_polarization": [
              0.00037514484172629885,
              0.019558219164900876,
              -0.3558112658283071
            ],
            "target_residual": 0.14550964137331138,
            "energy_eV": -7.672630174455701
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "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": 0.5000000024370397,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 1.51278840868715
      },
      "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": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.1102230246251565e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "target_residual": 0.5000216333744605,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.019101517382819677,
            "step_scale": 0.23286570666266443,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0193689061143756,
              0.9998710266486349,
              0.9811581418557218
            ],
            "cell_volume_ratio": 1.0000331075305045,
            "cell_rmsd_from_input_A": 0.12027129570610808
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.10898336181007759,
              0.0017509147571260486,
              7.953937234264449e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.10898336181007762,
              0.0017509147571260486,
              7.953937234264449e-08
            ],
            "target_residual": 0.39102055833912586,
            "energy_eV": -11.714601101615326,
            "max_atomic_step_A": 0.10282805546803361,
            "max_log_strain_component": 0.02,
            "step_scale": 0.22316288883473354,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0388381973813556,
              1.001756868452069,
              0.9604927406795897
            ],
            "cell_volume_ratio": 0.9995495446010424,
            "cell_rmsd_from_input_A": 0.24640398264380017
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.18450546395573172,
              0.003861393654294541,
              1.667993343043198e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.18450546395573175,
              0.003861393654294541,
              1.667993343043198e-08
            ],
            "target_residual": 0.3155181653007348,
            "energy_eV": -11.356479534234795,
            "max_atomic_step_A": 0.08950973470871577,
            "max_log_strain_component": 0.02,
            "step_scale": 0.21767632290997463,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0584462864308333,
              1.0043350693197177,
              0.9396591415264787
            ],
            "cell_volume_ratio": 0.9988902965930088,
            "cell_rmsd_from_input_A": 0.3737223522861776
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.24559426135549034,
              0.005537410284608762,
              -2.0206557188632363e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.24559426135549034,
              0.005537410284608762,
              -2.0206557188632363e-08
            ],
            "target_residual": 0.25446599530766195,
            "energy_eV": -10.673000869047256,
            "max_atomic_step_A": 0.08767331911234041,
            "max_log_strain_component": 0.02,
            "step_scale": 0.2619336159813147,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0780368765506025,
              1.0080312019103925,
              0.9183340950121351
            ],
            "cell_volume_ratio": 0.9979488934016316,
            "cell_rmsd_from_input_A": 0.5026964823036526
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.30122733740370045,
              0.01184365256833367,
              -1.816475595203688e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.30122733740370045,
              0.01184365256833367,
              -1.816475595203688e-08
            ],
            "target_residual": 0.19912519554737937,
            "energy_eV": -9.549108854995787,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.013440325389671513,
            "step_scale": 0.25153970498512307,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.8752361378884452,
            "cell_principal_stretches": [
              1.085419652513426,
              1.0155550908563828,
              0.8986700649343861
            ],
            "cell_volume_ratio": 0.9906071164268275,
            "cell_rmsd_from_input_A": 0.5914636244893086
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.34410455616892344,
              0.019679438715965634,
              -1.4635351647095002e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.34410455616892344,
              0.019679438715965634,
              -1.4635351647095002e-08
            ],
            "target_residual": 0.15713265006186336,
            "energy_eV": -7.982797063765769
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "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": 0.5000000024370391,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 1.5127884086871488
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        -0.5,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.1102230246251565e-16,
              -0.004651219459828881,
              -2.125944308978958e-16
            ],
            "target_residual": 0.7038255567842322,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0166922200042278,
            "step_scale": 0.12539434429067808,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0112539837627126,
              1.007424237558453,
              0.9797218691068408
            ],
            "cell_volume_ratio": 0.9981031889766977,
            "cell_rmsd_from_input_A": 0.12684060823828813
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.054307600578052465,
              -0.07018328886716596,
              1.4994083347958154e-07
            ],
            "branch_aligned_reduced_polarization": [
              -0.05430760057805245,
              -0.07018328886716596,
              1.4994083347958154e-07
            ],
            "target_residual": 0.6191801999996135,
            "energy_eV": -11.683029976883125,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016478214034394794,
            "step_scale": 0.13705557475036903,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.026580672249634,
              1.0137931370013304,
              0.9574817234458124
            ],
            "cell_volume_ratio": 0.9964899502513843,
            "cell_rmsd_from_input_A": 0.2576761277693343
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.09975428560191058,
              -0.1267255093501955,
              8.175679604589945e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.09975428560191058,
              -0.1267255093501955,
              8.175679604589945e-08
            ],
            "target_residual": 0.5472937760142303,
            "energy_eV": -11.220421613983977,
            "max_atomic_step_A": 0.08887259167979634,
            "max_log_strain_component": 0.02,
            "step_scale": 0.09740150463817442,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0450921591744284,
              1.0190695730852113,
              0.9344064281765608
            ],
            "cell_volume_ratio": 0.9951630483278154,
            "cell_rmsd_from_input_A": 0.39014582527687675
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.123067450604457,
              -0.159768395810364,
              1.0696828784937537e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.12306745060445701,
              -0.159768395810364,
              1.0696828784937537e-08
            ],
            "target_residual": 0.507775236973286,
            "energy_eV": -10.62604553243639,
            "max_atomic_step_A": 0.05664995678631658,
            "max_log_strain_component": 0.02,
            "step_scale": 0.06216021449989218,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0641869652267477,
              1.0239000028693506,
              0.9122032532852455
            ],
            "cell_volume_ratio": 0.9939558545706557,
            "cell_rmsd_from_input_A": 0.5182303909559961
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.131423169815599,
              -0.17819454277443209,
              -1.1535573444416417e-08
            ],
            "branch_aligned_reduced_polarization": [
              -0.13142316981559898,
              -0.17819454277443209,
              -1.1535573444416417e-08
            ],
            "target_residual": 0.4892929920292521,
            "energy_eV": -10.05593635546194,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.019726374914977283,
            "step_scale": 0.05412669900091016,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.9135532210769256,
            "cell_principal_stretches": [
              1.0801737494217853,
              1.0344247392897716,
              0.8919030323346684
            ],
            "cell_volume_ratio": 0.9965753889867398,
            "cell_rmsd_from_input_A": 0.6284327289147823
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.14633214225048002,
              -0.19076683966102828,
              -1.0654150491307798e-07
            ],
            "branch_aligned_reduced_polarization": [
              -0.14633214225048002,
              -0.19076683966102825,
              -1.0654150491307798e-07
            ],
            "target_residual": 0.46979367924480875,
            "energy_eV": -9.281349304521227
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "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": 0.7070718747437366,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 1.9269321533005437
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 5,
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.0835660426648442e-16,
              -0.004651219459828881,
              -2.220446049250313e-16
            ],
            "target_residual": 0.7038255567842322,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016692265865127804,
            "step_scale": 0.12539468880427238,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0112539977478805,
              1.0074242164332465,
              0.9797218709914968
            ],
            "cell_volume_ratio": 0.9981031837702625,
            "cell_rmsd_from_input_A": 0.1268407533643659
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -1.1881388731229362e-10,
              -0.070183516232934,
              -0.05430802727993482
            ],
            "branch_aligned_reduced_polarization": [
              -1.1881388731229362e-10,
              -0.070183516232934,
              -0.054308027279934834
            ],
            "target_residual": 0.619179735024482,
            "energy_eV": -11.683028881762638,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.014270459407298491,
            "step_scale": 0.13705697876449896,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0265806351473576,
              1.0137931195927503,
              0.9574817599181066
            ],
            "cell_volume_ratio": 0.996489935083371,
            "cell_rmsd_from_input_A": 0.2576764464956465
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -1.38304935966247e-09,
              -0.12672626748672183,
              -0.09975496063389536
            ],
            "branch_aligned_reduced_polarization": [
              -1.38304935966247e-09,
              -0.12672626748672183,
              -0.09975496063389533
            ],
            "target_residual": 0.5472927652742808,
            "energy_eV": -11.22041326682792,
            "max_atomic_step_A": 0.10262041982700522,
            "max_log_strain_component": 0.02,
            "step_scale": 0.11246954585839881,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.048024852210223,
              1.019888247587845,
              0.9308518004119969
            ],
            "cell_volume_ratio": 0.994957916251392,
            "cell_rmsd_from_input_A": 0.4106379429818617
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -1.6519112565706684e-09,
              -0.16429735932355988,
              -0.12465822140355264
            ],
            "branch_aligned_reduced_polarization": [
              -1.6519112565706684e-09,
              -0.16429735932355988,
              -0.12465822140355265
            ],
            "target_residual": 0.5035650044602779,
            "energy_eV": -10.50675580001224,
            "max_atomic_step_A": 0.06022940850391078,
            "max_log_strain_component": 0.02,
            "step_scale": 0.0672327172100872,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0702145416926763,
              1.0254566527522562,
              0.9053355579934282
            ],
            "cell_volume_ratio": 0.9935683136070723,
            "cell_rmsd_from_input_A": 0.5581078441143522
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -2.220681679043753e-09,
              -0.18361666034498636,
              -0.13203430390215412
            ],
            "branch_aligned_reduced_polarization": [
              -2.220681679043753e-09,
              -0.18361666034498636,
              -0.1320343039021541
            ],
            "target_residual": 0.4852805076613237,
            "energy_eV": -9.849239711522204,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.015545669973605208,
            "step_scale": 0.05148782104280951,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.9043896555363927,
            "cell_principal_stretches": [
              1.0800229635877865,
              1.0400226805329271,
              0.8848171191685629
            ],
            "cell_volume_ratio": 0.9938693936032904,
            "cell_rmsd_from_input_A": 0.6539366200136341
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.0001652411582437908,
              -0.19445936359663538,
              -0.14663951452624877
            ],
            "branch_aligned_reduced_polarization": [
              0.0001652411582437908,
              -0.1944593635966354,
              -0.1466395145262488
            ],
            "target_residual": 0.46713888779747137,
            "energy_eV": -9.14522502229641
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "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": 0.707071874743737,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 1.9269321533005446
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 6,
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        -0.5,
        0.0,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": false,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.1102230246251565e-16,
              -0.00465121945982886,
              -2.220446049250313e-16
            ],
            "target_residual": 0.7071220784577888,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.016542355027472568,
            "step_scale": 0.23286570548646035,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.019368905957491,
              0.9998710264356561,
              0.9811581422155513
            ],
            "cell_volume_ratio": 1.000033107530334,
            "cell_rmsd_from_input_A": 0.07613804892799193
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.10898336103901783,
              0.0017509153300197138,
              -0.10898344025407013
            ],
            "branch_aligned_reduced_polarization": [
              -0.10898336103901785,
              0.0017509153300197138,
              -0.10898344025407014
            ],
            "target_residual": 0.5529837498917832,
            "energy_eV": -11.714601112377839,
            "max_atomic_step_A": 0.11873601244618479,
            "max_log_strain_component": 0.02,
            "step_scale": 0.25768718207148045,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0418948263707568,
              1.00204893775243,
              0.9573241527277347
            ],
            "cell_volume_ratio": 0.99947475608592,
            "cell_rmsd_from_input_A": 0.16884988387901795
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.1947609055197308,
              0.0046875470454886105,
              -0.19476088479583287
            ],
            "branch_aligned_reduced_polarization": [
              -0.1947609055197308,
              0.0046875470454886105,
              -0.19476088479583287
            ],
            "target_residual": 0.431698732158274,
            "energy_eV": -11.270844185138722,
            "max_atomic_step_A": 0.1031814310202785,
            "max_log_strain_component": 0.02,
            "step_scale": 0.2576597336264699,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.064593799647222,
              1.0051564550933567,
              0.9332737821198958
            ],
            "cell_volume_ratio": 0.9986807163558176,
            "cell_rmsd_from_input_A": 0.2639452118728913
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.26448000711927144,
              0.008089107477854915,
              -0.2644799539325079
            ],
            "branch_aligned_reduced_polarization": [
              -0.26448000711927144,
              0.008089107477854915,
              -0.2644799539325079
            ],
            "target_residual": 0.33317381770775495,
            "energy_eV": -10.354583336053118,
            "max_atomic_step_A": 0.09595386151799379,
            "max_log_strain_component": 0.02,
            "step_scale": 0.3035715282197158,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0871589247035454,
              1.0101165840271589,
              0.9082666944405595
            ],
            "cell_volume_ratio": 0.9974196638950154,
            "cell_rmsd_from_input_A": 0.36406540024947853
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.3211731153915109,
              0.01691928212252654,
              -0.3211730855844854
            ],
            "branch_aligned_reduced_polarization": [
              -0.3211731153915109,
              0.01691928212252654,
              -0.3211730855844854
            ],
            "target_residual": 0.2534647551153677,
            "energy_eV": -8.936307761318215,
            "max_atomic_step_A": 0.12000000000000001,
            "max_log_strain_component": 0.0170890335302185,
            "step_scale": 0.22731598271267062,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 0.9802007563209764,
            "cell_principal_stretches": [
              1.0901876123392449,
              1.021886455666058,
              0.8846405908313514
            ],
            "cell_volume_ratio": 0.9855320412887809,
            "cell_rmsd_from_input_A": 0.4429167997336173
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.3561861195123199,
              0.019558383518672232,
              -0.3558108738973913
            ],
            "branch_aligned_reduced_polarization": [
              -0.3561861195123199,
              0.019558383518672232,
              -0.3558108738973913
            ],
            "target_residual": 0.20458608621561292,
            "energy_eV": -7.67263140124106
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_06",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          -0.5,
          0.0,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.0,
          0.5
        ],
        "target_residual": 0.20458608621561292,
        "parent_symmetrization_rmsd_A": 0.5621705308094733,
        "parent_cell_rmsd_A": 0.4429167997336173,
        "energy_eV": -7.67263140124106,
        "reduced_polarization": [
          -0.3561861195123199,
          0.019558383518672232,
          -0.3558108738973913
        ],
        "cartesian_polarization_e_A2": [
          -0.006136721162767006,
          -0.00016548131542138358,
          -0.010661165888603798
        ],
        "ranking_score": 1.5820719031741035
      },
      "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": [
              -1.0835660426648442e-16,
              -0.00465121945982886,
              -2.125944308978958e-16
            ],
            "branch_aligned_reduced_polarization": [
              -1.1102230246251565e-16,
              -0.004651219459828881,
              -2.220446049250313e-16
            ],
            "target_residual": 0.8633483737070652,
            "energy_eV": -11.828909899682381,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01669222004720005,
            "step_scale": 0.12539434461346913,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0112539728275265,
              1.0074242499216732,
              0.9797218676730106
            ],
            "cell_volume_ratio": 0.9981031889718176,
            "cell_rmsd_from_input_A": 0.11665492366148776
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.05430760078830765,
              -0.0701832890014435,
              -0.0543077508481083
            ],
            "branch_aligned_reduced_polarization": [
              -0.05430760078830765,
              -0.0701832890014435,
              -0.054307750848108294
            ],
            "target_residual": 0.7629060890586489,
            "energy_eV": -11.683029976223663,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.01427047690988016,
            "step_scale": 0.13705557468666082,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0265806530159645,
              1.0137931600391084,
              0.9574817196188992
            ],
            "cell_volume_ratio": 0.9964899502432347,
            "cell_rmsd_from_input_A": 0.22307394542474865
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.09975428707863812,
              -0.12672550954959294,
              -0.09975437021883166
            ],
            "branch_aligned_reduced_polarization": [
              -0.0997542870786381,
              -0.12672550954959294,
              -0.09975437021883166
            ],
            "target_residual": 0.6780317397377975,
            "energy_eV": -11.220421608036359,
            "max_atomic_step_A": 0.10262140898685854,
            "max_log_strain_component": 0.02,
            "step_scale": 0.11246976513524494,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.0480248985082534,
              1.0198883337984643,
              0.9308516944704481
            ],
            "cell_volume_ratio": 0.994957931070818,
            "cell_rmsd_from_input_A": 0.3335811057564019
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -0.12465796818368714,
              -0.16429676808577706,
              -0.12465795698013
            ],
            "branch_aligned_reduced_polarization": [
              -0.12465796818368713,
              -0.1642967680857771,
              -0.12465795698012999
            ],
            "target_residual": 0.6280604668532979,
            "energy_eV": -10.506769151456044,
            "max_atomic_step_A": 0.060230389422525676,
            "max_log_strain_component": 0.02,
            "step_scale": 0.06723339188749322,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 1.4892786356518144,
            "cell_principal_stretches": [
              1.070214578861104,
              1.0254567863711257,
              0.9053354205917504
            ],
            "cell_volume_ratio": 0.9935683267846694,
            "cell_rmsd_from_input_A": 0.43492058079375173
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              -0.13203429097158575,
              -0.18361628854771178,
              -0.13203425890166454
            ],
            "branch_aligned_reduced_polarization": [
              -0.13203429097158575,
              -0.18361628854771178,
              -0.13203425890166454
            ],
            "target_residual": 0.6090124814116339,
            "energy_eV": -9.849250666503643,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.015545546803307986,
            "step_scale": 0.05148820631492125,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 1.0087859804372403,
            "cell_principal_stretches": [
              1.0800228169013517,
              1.0400228080140037,
              0.8848170990186714
            ],
            "cell_volume_ratio": 0.9938693578085268,
            "cell_rmsd_from_input_A": 0.5084490359129391
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              -0.14680487071180012,
              -0.19445913556232497,
              -0.1466394905661896
            ],
            "branch_aligned_reduced_polarization": [
              -0.14680487071180015,
              -0.19445913556232497,
              -0.14663949056618963
            ],
            "target_residual": 0.5856327081213547,
            "energy_eV": -9.145230079684872
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_06",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          -0.5,
          -0.5,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.5,
          0.5
        ],
        "target_residual": 0.5218209301612479,
        "parent_symmetrization_rmsd_A": 0.5621705308094733,
        "parent_cell_rmsd_A": 0.4429167997336173,
        "energy_eV": -7.67263140124106,
        "reduced_polarization": [
          -0.3561861195123199,
          0.019558383518672232,
          -0.3558108738973913
        ],
        "cartesian_polarization_e_A2": [
          -0.006136721162767006,
          -0.00016548131542138358,
          -0.010661165888603798
        ],
        "ranking_score": 2.2165415910653734
      },
      "branch_status": "awaiting_branch_sampling"
    }
  ],
  "sampled_polarization_branches": [
    {
      "orbit_id": 0,
      "candidate_id": "bec_projection_00",
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "construction": "MACEField-BEC-parent plus variable-cell P-N-P path and symmetric log-strain continuation beyond both polar endpoints",
      "geometry_diagnostics": {
        "collision_aware": false,
        "permutations_tested": 1,
        "selected_order": [
          0,
          1,
          2,
          3
        ],
        "endpoint_rmsd_A": 0.01069521295399224,
        "minimum_distance_A_by_image": [
          2.7906516999999997,
          2.7917677733961908,
          2.791020384240406,
          2.79027372667881,
          2.7895278023203023,
          2.7887826127756044,
          2.7880381596572614,
          2.7872944445796333,
          2.7865514691588964
        ],
        "minimum_distance_A": 2.7865514691588964,
        "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": [
          134.0383365446396,
          134.0407186280472,
          134.04310075378848,
          134.04548292186396,
          134.04786513227467,
          134.05024738502118,
          134.05262968010413,
          134.05501201752458,
          134.05739439728296
        ],
        "cell_deformation_log_strain_norm": 0.0014751112507045891
      },
      "parent_reduced_polarization": [
        5.337213359797442e-16,
        -4.936638341666454e-05,
        2.250864632245426e-16
      ],
      "incoming": {
        "reached": true,
        "construction": "variable_cell_linear_interpolation",
        "continuation_fractions": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "energies_eV": [
          -11.828909899682381,
          -11.828981322391334,
          -11.829037938247298,
          -11.82907988676886,
          -11.82910730627627,
          -11.82912033387975,
          -11.829119105468317,
          -11.829103755699329,
          -11.829074417988615
        ],
        "cartesian_polarizations_e_A2": [
          [
            -7.015408058881695e-20,
            -0.0002576026447314582,
            -6.271861063542189e-18
          ],
          [
            1.6128843624500422e-17,
            -0.00022550325184418046,
            7.78470069710629e-18
          ],
          [
            2.035789548738454e-17,
            -0.00019347023332230609,
            -4.436147129695558e-18
          ],
          [
            2.70269170538456e-18,
            -0.00016150485389084494,
            -3.877849715869969e-18
          ],
          [
            1.5925709941641438e-17,
            -0.00012960838318584698,
            1.150581468136919e-17
          ],
          [
            1.4249369492999833e-17,
            -9.778209541107632e-05,
            -3.7724158716149e-18
          ],
          [
            1.3989376698448947e-17,
            -6.602726899398218e-05,
            6.0335238510919325e-18
          ],
          [
            1.0005700978699642e-17,
            -3.4345186240333835e-05,
            1.4466464331208297e-17
          ],
          [
            1.4338265250224966e-17,
            -2.7371329887142815e-06,
            6.635917516930472e-18
          ]
        ],
        "raw_reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.6384573674427314e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224421e-16
          ],
          [
            1.308919632201675e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.9002430714518224e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152934e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.0453161309281967e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.936638341666454e-05,
            2.250864632245426e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.638457367442732e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224424e-16
          ],
          [
            1.3089196322016718e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.900243071451822e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152931e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.045316130928197e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.9366383416664535e-05,
            2.250864632245426e-16
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.1102230246251565e-16,
            -0.004651219459828881,
            -2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.004071075768471322,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.003492290753907501,
            -1.6653345369377348e-16
          ],
          [
            0.0,
            -0.002914886711241238,
            -1.1102230246251565e-16
          ],
          [
            6.661338147750939e-16,
            -0.002338886011701735,
            4.440892098500626e-16
          ],
          [
            3.3306690738754696e-16,
            -0.0017643110963918018,
            -1.1102230246251565e-16
          ],
          [
            5.551115123125783e-16,
            -0.0011911844700286944,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.0006195286946656386,
            4.440892098500626e-16
          ],
          [
            5.551115123125783e-16,
            -4.9366383416682424e-05,
            2.220446049250313e-16
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -11.829074417988611,
          -11.829072176751136,
          -11.82906118420143,
          -11.829041487180003,
          -11.829013132448114,
          -11.828976166688673,
          -11.828930636507152,
          -11.828876588432502,
          -11.828814068918042
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.300206154887861e-17,
            -2.7371329887271344e-06,
            2.6755571425940763e-18
          ],
          [
            1.804902225881225e-17,
            1.6469999585382427e-05,
            2.153131905595555e-18
          ],
          [
            2.214450111639212e-17,
            3.5589137662680626e-05,
            7.504376714311888e-18
          ],
          [
            2.5136539371099638e-17,
            5.461991667595275e-05,
            1.0760470601411036e-17
          ],
          [
            1.7623677871896675e-17,
            7.356197544104443e-05,
            6.017163870979492e-18
          ],
          [
            2.027150214167145e-17,
            9.241495621916621e-05,
            7.702038512839175e-18
          ],
          [
            2.4018250360149923e-17,
            0.00011117850477851804,
            -1.566813566242775e-18
          ],
          [
            7.309708538579982e-18,
            0.00012985227045475138,
            -4.07663226631496e-18
          ],
          [
            2.472317891458571e-17,
            0.00014843590621094332,
            1.6305278521774355e-17
          ]
        ],
        "raw_reduced_polarization": [
          [
            4.2730139796392353e-16,
            -4.936638341689636e-05,
            9.075044981643653e-17
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308434e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.3067841537436206e-17
          ],
          [
            1.4564123947768145e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            4.2730139796392353e-16,
            -4.936638341689636e-05,
            9.075044981643653e-17
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308434e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.30678415374362e-17
          ],
          [
            1.456412394776814e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          1.175098602326463e-15,
          0.004552377258619948,
          6.624638057786111e-16
        ],
        "actual_opposite_endpoint_branch_residual": 0.001872249590577575
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.6384573674427314e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224421e-16
          ],
          [
            1.308919632201675e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.9002430714518224e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152934e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.0453161309281967e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.936638341666454e-05,
            2.250864632245426e-16
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308434e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.3067841537436206e-17
          ],
          [
            1.4564123947768145e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.0835660426648442e-16,
            -0.00465121945982886,
            -2.125944308978958e-16
          ],
          [
            6.052099100492561e-16,
            -0.004071075768471335,
            2.638457367442732e-16
          ],
          [
            5.220943431367947e-16,
            -0.0034922907539075014,
            -1.5048493532224424e-16
          ],
          [
            1.3089196322016718e-17,
            -0.0029148867112412237,
            -1.3159109050321283e-16
          ],
          [
            6.621710038758196e-16,
            -0.0023388860117017234,
            3.900243071451822e-16
          ],
          [
            3.539778297157246e-16,
            -0.001764311096391818,
            -1.2803957620152931e-16
          ],
          [
            5.127544680984978e-16,
            -0.001191184470028674,
            2.045316130928197e-16
          ],
          [
            5.38967128229092e-16,
            -0.0006195286946656311,
            4.906068266974208e-16
          ],
          [
            5.337213359797442e-16,
            -4.9366383416664535e-05,
            2.250864632245426e-16
          ],
          [
            5.667968692300264e-16,
            0.0002970907559759467,
            7.305462369308436e-17
          ],
          [
            7.778833638070557e-16,
            0.0006420563614309343,
            2.5455422581685807e-16
          ],
          [
            9.209603258484732e-16,
            0.0009855232153724532,
            3.649641010910304e-16
          ],
          [
            6.198656635078156e-16,
            0.001327484157452189,
            2.0409951864288535e-16
          ],
          [
            7.261042381485501e-16,
            0.0016679320857145897,
            2.6120421258362095e-16
          ],
          [
            6.788686623250863e-16,
            0.0020068599577510015,
            -5.30678415374362e-17
          ],
          [
            1.456412394776814e-16,
            0.0023442607918337526,
            -1.3816601259099006e-16
          ],
          [
            1.0021019195713043e-15,
            0.002680127668042373,
            5.526926334701936e-16
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.1102230246251565e-16,
            -0.004651219459828881,
            -2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.004071075768471322,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.003492290753907501,
            -1.6653345369377348e-16
          ],
          [
            0.0,
            -0.002914886711241238,
            -1.1102230246251565e-16
          ],
          [
            6.661338147750939e-16,
            -0.002338886011701735,
            4.440892098500626e-16
          ],
          [
            3.3306690738754696e-16,
            -0.0017643110963918018,
            -1.1102230246251565e-16
          ],
          [
            5.551115123125783e-16,
            -0.0011911844700286944,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            -0.0006195286946656386,
            4.440892098500626e-16
          ],
          [
            5.551115123125783e-16,
            -4.9366383416682424e-05,
            2.220446049250313e-16
          ],
          [
            5.551115123125783e-16,
            0.00029709075597594836,
            1.1102230246251565e-16
          ],
          [
            7.771561172376096e-16,
            0.0006420563614308872,
            2.220446049250313e-16
          ],
          [
            8.881784197001252e-16,
            0.0009855232153724858,
            3.3306690738754696e-16
          ],
          [
            6.661338147750939e-16,
            0.0013274841574522078,
            2.220446049250313e-16
          ],
          [
            7.771561172376096e-16,
            0.0016679320857145852,
            2.220446049250313e-16
          ],
          [
            6.661338147750939e-16,
            0.0020068599577509616,
            -5.551115123125783e-17
          ],
          [
            1.1102230246251565e-16,
            0.0023442607918338076,
            -1.1102230246251565e-16
          ],
          [
            9.992007221626409e-16,
            0.002680127668042376,
            5.551115123125783e-16
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ],
      "positive_extension_structure_ids": [
        "extension_plus_00_000",
        "extension_plus_00_001",
        "extension_plus_00_002",
        "extension_plus_00_003"
      ],
      "negative_extension_structure_ids": [
        "extension_minus_00_000",
        "extension_minus_00_001",
        "extension_minus_00_002",
        "extension_minus_00_003"
      ],
      "extension": {
        "enabled": true,
        "fraction_beyond_polar_endpoint": 0.35,
        "images_per_side": 4,
        "construction": "continue fractional atomic displacements and symmetric log strain beyond +P; reflect these structures about N for the -P side",
        "positive_path_coordinates": [
          1.35,
          1.2625,
          1.175,
          1.0875
        ],
        "negative_path_coordinates": [
          -1.0875,
          -1.175,
          -1.2625,
          -1.35
        ]
      },
      "branch_coordinates": [
        1.35,
        1.2625,
        1.175,
        1.0875,
        1.0,
        0.875,
        0.75,
        0.625,
        0.5,
        0.375,
        0.25,
        0.125,
        0.0,
        -0.125,
        -0.25,
        -0.375,
        -0.5,
        -0.625,
        -0.75,
        -0.875,
        -1.0,
        -1.0875,
        -1.175,
        -1.2625,
        -1.35
      ],
      "parent": {
        "candidate_id": "bec_projection_00",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P6_3mc",
        "spacegroup_number": 186,
        "pointgroup": "6mm",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 4.9366383416803116e-05,
        "parent_symmetrization_rmsd_A": 0.01069521295399224,
        "parent_cell_rmsd_A": 0.008372763436313687,
        "energy_eV": -11.829074417988611,
        "reduced_polarization": [
          6.710256437424023e-16,
          -4.9366383416803116e-05,
          8.254196019381448e-17
        ],
        "cartesian_polarization_e_A2": [
          2.143857195150978e-17,
          -2.737132988721965e-06,
          2.433562657564309e-18
        ],
        "ranking_score": 0.5128871365799043
      }
    }
  ],
  "path_sampling": {
    "num_images": 17,
    "images_per_leg_including_parent": 9,
    "extension_fraction_beyond_polar_endpoint": 0.35,
    "extension_images_per_side": 4,
    "total_images_per_sampled_branch": 25,
    "construction": "linear polar-to-parent interpolation plus parent-reflected second leg and symmetric log-strain continuation beyond both polar endpoints"
  },
  "branch_folding": "componentwise integer unwrap with per-image shifts, then reduced-coordinate fold [-0.5, 0.5)",
  "bec_backprojection_settings": {
    "variable_cell": true,
    "max_strain_step_log_component": 0.02,
    "strain_response_refresh_iterations": 4,
    "cell_principal_stretch_bounds": [
      0.85,
      1.15
    ],
    "cell_volume_ratio_bounds": [
      0.7,
      1.3
    ],
    "strain_jacobian": "branch-matched finite differences of reduced polarization in six symmetric log-strain coordinates at fixed fractional positions"
  },
  "model_input_contract": "one polar endpoint structure; no reference parent or path frame",
  "run": {
    "model_file": "MACEField-MH-0-omat-dielectric.model",
    "model_sha256": "f92e043aaf2cd8879919db8452503553fe7b608cb749d8d169dd96d4aa094aa2",
    "model_head": "mp-ferroelectric",
    "device": "cpu",
    "dtype": "float64",
    "num_images": 17,
    "compute_becs_for_every_image": true,
    "compute_polarizability_for_every_image": true,
    "initial_structure_relaxation": {
      "enabled": false
    },
    "model_evaluations_for_recovery": {
      "total": 155,
      "full_response": 37,
      "energy_polarization": 118
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 180,
      "full_response": 62,
      "energy_polarization": 118
    },
    "elapsed_seconds": 98.07980043202406
  }
}
