{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 44,
  "input_formula": "Li8Mn4O24Si8",
  "input_spacegroup": "Cc",
  "input_pointgroup": "m",
  "input_is_polar_point_group": true,
  "input_energy_eV": -302.26310855519534,
  "input_cartesian_polarization_e_A2": [
    0.002662785763992386,
    -3.3943173024960116e-17,
    -0.0014023227628569635
  ],
  "input_reduced_polarization": [
    0.24488276760297878,
    -1.8582490780782634e-15,
    -0.08178094789583036
  ],
  "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": [
        0.5,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        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,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        -0.5
      ]
    },
    {
      "orbit_id": 4,
      "representative_formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 5,
      "representative_formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 6,
      "representative_formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -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": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 2.6426178473746736e-15,
      "parent_symmetrization_rmsd_A": 0.26872318620574437,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -300.7077858135187,
      "reduced_polarization": [
        1.5152528384627722e-15,
        -1.585183086951465e-15,
        -1.4746635221760548e-15
      ],
      "cartesian_polarization_e_A2": [
        1.6479373641072885e-17,
        -2.895529153297276e-17,
        -2.5246045295909448e-17
      ],
      "ranking_score": 0.26872318620574964
    },
    {
      "candidate_id": "bec_projection_00",
      "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": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 0.0005364680261671323,
      "parent_symmetrization_rmsd_A": 0.016607789537113043,
      "parent_cell_rmsd_A": 0.004297885447870365,
      "energy_eV": -302.0188015878083,
      "reduced_polarization": [
        -0.0005215790669763514,
        3.5451005577067394e-15,
        -0.00012551183207864386
      ],
      "cartesian_polarization_e_A2": [
        -5.67157299256377e-06,
        6.472622079440722e-17,
        -2.1355228240827483e-06
      ],
      "ranking_score": 0.5187551969514149
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "C2/c",
      "spacegroup_number": 15,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 2.2274067858260934e-15,
      "parent_symmetrization_rmsd_A": 0.26872535974726885,
      "parent_cell_rmsd_A": 0.004297885447870365,
      "energy_eV": -300.7030665978723,
      "reduced_polarization": [
        -1.7865567783929103e-15,
        -1.316290567608545e-16,
        -1.3237181189886011e-15
      ],
      "cartesian_polarization_e_A2": [
        -1.94163056170673e-17,
        -2.4038975719771944e-18,
        -2.2594615141619e-17
      ],
      "ranking_score": 0.2697998311092409
    },
    {
      "candidate_id": "bec_projection_01",
      "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": 4.0424149345318914e-07,
      "parent_symmetrization_rmsd_A": 0.019185904643962443,
      "parent_cell_rmsd_A": 0.005827580942295567,
      "energy_eV": -302.01783556345936,
      "reduced_polarization": [
        0.49999959928439003,
        -2.1587096977704294e-15,
        5.327461829322649e-08
      ],
      "cartesian_polarization_e_A2": [
        0.0054363320386359255,
        -4.679325907582431e-17,
        -1.7519233356314997e-06
      ],
      "ranking_score": 0.5206436083625232
    },
    {
      "candidate_id": "bec_projection_02",
      "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": [
        0.0,
        0.0,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_residual": 2.211892821174881e-06,
      "parent_symmetrization_rmsd_A": 0.045915108896539276,
      "parent_cell_rmsd_A": 0.012357742563403972,
      "energy_eV": -300.9637176011594,
      "reduced_polarization": [
        -8.031138711548743e-07,
        -1.068327988345113e-15,
        -0.500002060941038
      ],
      "cartesian_polarization_e_A2": [
        1.6747136417813448e-05,
        -1.4455470836887506e-16,
        -0.008564413887985066
      ],
      "ranking_score": 0.5490089683230326
    },
    {
      "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,
        -0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 6.910752375134746e-06,
      "parent_symmetrization_rmsd_A": 0.04238662743873455,
      "parent_cell_rmsd_A": 0.009390452092189411,
      "energy_eV": -300.8574059517134,
      "reduced_polarization": [
        0.4999930975616853,
        1.148485190664806e-15,
        -0.4999996611140276
      ],
      "cartesian_polarization_e_A2": [
        0.005434409337605537,
        -1.48786630360714e-16,
        -0.008578085806174494
      ],
      "ranking_score": 0.5447480619665321
    },
    {
      "candidate_id": "bec_projection_04",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_residual": 3.2914330263058895e-06,
      "parent_symmetrization_rmsd_A": 0.05458993589382297,
      "parent_cell_rmsd_A": 0.027358973918717153,
      "energy_eV": -299.71204843095177,
      "reduced_polarization": [
        -2.9458137510982193e-09,
        -0.5000024277555625,
        2.2225043571880696e-06
      ],
      "cartesian_polarization_e_A2": [
        -2.51322883935888e-05,
        -0.009131447529644565,
        1.8354906985325024e-05
      ],
      "ranking_score": 0.5614362622395549
    },
    {
      "candidate_id": "bec_projection_05",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 5.308971493205358e-06,
      "parent_symmetrization_rmsd_A": 0.055691389705782295,
      "parent_cell_rmsd_A": 0.027597060174647532,
      "energy_eV": -299.61430322907705,
      "reduced_polarization": [
        0.4999955150392623,
        -0.5000016929709359,
        2.2812616919939852e-06
      ],
      "cartesian_polarization_e_A2": [
        0.005411167994676012,
        -0.009117160029614615,
        1.6614418596491498e-05
      ],
      "ranking_score": 0.5626012726924305
    },
    {
      "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": [
        0.0,
        -0.5,
        -0.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 4.590660312565343e-06,
      "parent_symmetrization_rmsd_A": 0.06965437085731112,
      "parent_cell_rmsd_A": 0.02978306002315357,
      "energy_eV": -298.59575689018334,
      "reduced_polarization": [
        -4.5161489461842815e-06,
        -0.4999991920026951,
        -0.49999983968419753
      ],
      "cartesian_polarization_e_A2": [
        -8.477372765464182e-06,
        -0.009123159318880336,
        -0.008546153182688313
      ],
      "ranking_score": 0.5771093171837246
    },
    {
      "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": 1.9967881114206208e-05,
      "parent_symmetrization_rmsd_A": 0.0677610487187326,
      "parent_cell_rmsd_A": 0.02871062452826282,
      "energy_eV": -298.39518593698796,
      "reduced_polarization": [
        0.4999817629666167,
        -0.4999944123168625,
        -0.49999409198115075
      ],
      "cartesian_polarization_e_A2": [
        0.005409021495722073,
        -0.009108712008102532,
        -0.008559757722707412
      ],
      "ranking_score": 0.5749786406130267
    }
  ],
  "formal_branches": [
    {
      "orbit_id": 0,
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "target_residual": 0.25817763905426633,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.025189788735327567,
            "max_log_strain_component": 0.0005786378924425048,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0007956092930799,
              1.0000209250638816,
              0.9993990470198422
            ],
            "cell_volume_ratio": 1.0002151073162189,
            "cell_rmsd_from_input_A": 0.004297885447870365
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.0005215790669763514,
              3.5451005577067394e-15,
              -0.00012551183207864386
            ],
            "branch_aligned_reduced_polarization": [
              -0.0005215790669763514,
              3.5451005577067394e-15,
              -0.00012551183207864386
            ],
            "target_residual": 0.0005364680261671323,
            "energy_eV": -302.0188015878083
          }
        ],
        "iterations": 1
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "C2/c",
        "spacegroup_number": 15,
        "pointgroup": "2/m",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 2.6426178473746736e-15,
        "parent_symmetrization_rmsd_A": 0.26872318620574437,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -300.7077858135187,
        "reduced_polarization": [
          1.5152528384627722e-15,
          -1.585183086951465e-15,
          -1.4746635221760548e-15
        ],
        "cartesian_polarization_e_A2": [
          1.6479373641072885e-17,
          -2.895529153297276e-17,
          -2.5246045295909448e-17
        ],
        "ranking_score": 0.26872318620574964
      },
      "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": [
          -302.26310855519534,
          -302.21634147832907,
          -302.1005327295712,
          -301.9159235698378,
          -301.66842467887994,
          -301.37234404244657,
          -301.0621330278535,
          -300.8086846690098,
          -300.7077858135187
        ],
        "cartesian_polarizations_e_A2": [
          [
            0.0026627857639923815,
            -1.7905215612262307e-19,
            -0.0014023227628570123
          ],
          [
            0.0023697437491259923,
            -3.7434690069351263e-17,
            -0.0012136251383842744
          ],
          [
            0.002059524116555954,
            6.2796149040148514e-18,
            -0.001030902358590751
          ],
          [
            0.0017327349410544337,
            3.036212990250765e-17,
            -0.0008580748574172688
          ],
          [
            0.0013918040497194124,
            -7.72482159271888e-18,
            -0.0006981843521885974
          ],
          [
            0.0010396490935572409,
            5.857563393154383e-18,
            -0.0005477936251025054
          ],
          [
            0.000684266168710132,
            8.313135819978928e-18,
            -0.0003898039383352244
          ],
          [
            0.0003368399752874517,
            -8.466609096655462e-18,
            -0.0002059868539002188
          ],
          [
            3.600961881862824e-17,
            -2.1089786103300387e-17,
            -1.8442520071363386e-17
          ]
        ],
        "raw_reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252863e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3116287194340854e-15,
            -1.1545790240207447e-15,
            -1.0754604176358654e-15
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252854e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3133218391157016e-15,
            -1.1545790240207447e-15,
            -1.0755285551056204e-15
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.24488276760297834,
            0.0,
            -0.08178094789583323
          ],
          [
            0.21793375618219368,
            -2.0539125955565396e-15,
            -0.07077154602650287
          ],
          [
            0.1894047617687168,
            3.3306690738754696e-16,
            -0.06011272563216152
          ],
          [
            0.15935164704989524,
            1.6653345369377348e-15,
            -0.05003363211071837
          ],
          [
            0.12799765803501428,
            -4.440892098500626e-16,
            -0.04071190405703484
          ],
          [
            0.09561119742429036,
            3.3306690738754696e-16,
            -0.03194638075516898
          ],
          [
            0.06292797346955792,
            4.440892098500626e-16,
            -0.02273685965010297
          ],
          [
            0.030976979901051305,
            -4.440892098500626e-16,
            -0.01201685606412295
          ],
          [
            3.3306690738754696e-15,
            -1.1657341758564144e-15,
            -1.0547118733938987e-15
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -300.7077858135187,
          -300.80868466900984,
          -301.0621330278534,
          -301.37234404244646,
          -301.6684246788799,
          -301.9159235698377,
          -302.1005327295711,
          -302.2163414783291,
          -302.26310855519534
        ],
        "cartesian_polarizations_e_A2": [
          [
            5.04881166948383e-17,
            -2.334072749455622e-17,
            3.2159890407307854e-20
          ],
          [
            -0.0003368399752874538,
            -2.924944864660278e-17,
            0.00020598685390020162
          ],
          [
            -0.0006842661687101408,
            -1.172791622603181e-17,
            0.00038980393833520916
          ],
          [
            -0.0010396490935571526,
            1.3671911063934575e-17,
            0.0005477936251024848
          ],
          [
            -0.0013918040497193328,
            4.017163017008279e-17,
            0.0006981843521885762
          ],
          [
            -0.0017327349410543556,
            3.2932807286839597e-18,
            0.0008580748574171872
          ],
          [
            -0.0020595241165559013,
            2.427435659433847e-17,
            0.0010309023585906994
          ],
          [
            -0.002369743749125995,
            -8.311856876006623e-17,
            0.0012136251383842557
          ],
          [
            -0.0026627857639922752,
            2.770832115997592e-17,
            0.0014023227628569529
          ]
        ],
        "raw_reduced_polarization": [
          [
            4.643568530783988e-15,
            -1.2778088046318126e-15,
            5.666757831329424e-18
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519848e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448862e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697653e-15,
            0.08178094789582974
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            4.643568530783988e-15,
            -1.2778088046318126e-15,
            5.666757831329424e-18
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519849e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448867e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697657e-15,
            0.08178094789582974
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -0.24488276760297176,
          -2.2993556791292454e-15,
          0.08178094789583105
        ],
        "actual_opposite_endpoint_branch_residual": 5.129701748006424e-15
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252863e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3116287194340854e-15,
            -1.1545790240207447e-15,
            -1.0754604176358654e-15
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519848e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448862e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697653e-15,
            0.08178094789582974
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252854e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3133218391157016e-15,
            -1.1545790240207447e-15,
            -1.0755285551056204e-15
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519849e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448867e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697657e-15,
            0.08178094789582974
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.24488276760297834,
            0.0,
            -0.08178094789583323
          ],
          [
            0.21793375618219368,
            -2.0539125955565396e-15,
            -0.07077154602650287
          ],
          [
            0.1894047617687168,
            3.3306690738754696e-16,
            -0.06011272563216152
          ],
          [
            0.15935164704989524,
            1.6653345369377348e-15,
            -0.05003363211071837
          ],
          [
            0.12799765803501428,
            -4.440892098500626e-16,
            -0.04071190405703484
          ],
          [
            0.09561119742429036,
            3.3306690738754696e-16,
            -0.03194638075516898
          ],
          [
            0.06292797346955792,
            4.440892098500626e-16,
            -0.02273685965010297
          ],
          [
            0.030976979901051305,
            -4.440892098500626e-16,
            -0.01201685606412295
          ],
          [
            3.3306690738754696e-15,
            -1.1657341758564144e-15,
            -1.0547118733938987e-15
          ],
          [
            -0.030976979901051527,
            -1.609823385706477e-15,
            0.01201685606412195
          ],
          [
            -0.0629279734695587,
            -6.661338147750939e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428226,
            7.771561172376096e-16,
            0.03194638075516776
          ],
          [
            -0.12799765803500696,
            2.220446049250313e-15,
            0.04071190405703362
          ],
          [
            -0.15935164704988802,
            2.220446049250313e-16,
            0.050033632110713655
          ],
          [
            -0.18940476176871196,
            1.3322676295501878e-15,
            0.060112725632158526
          ],
          [
            -0.2179337561821939,
            -4.551914400963142e-15,
            0.07077154602650182
          ],
          [
            -0.24488276760296857,
            1.5543122344752192e-15,
            0.08178094789582979
          ]
        ]
      },
      "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": [
        0.5,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "target_residual": 0.2679046951896444,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.02879588707415081,
            "max_log_strain_component": 0.0009552817205789822,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.001016479013843,
              0.9999495189755437,
              0.9991057104604684
            ],
            "cell_volume_ratio": 1.0000707933009447,
            "cell_rmsd_from_input_A": 0.0057957402838976066
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.4983647744263294,
              6.5990384978785806e-15,
              -0.0001245158281548692
            ],
            "branch_aligned_reduced_polarization": [
              0.4983647744263294,
              6.5990384978785806e-15,
              -0.0001245158281548692
            ],
            "target_residual": 0.0016399594105487333,
            "energy_eV": -302.02051738279863,
            "max_atomic_step_A": 0.00016547281464218604,
            "max_log_strain_component": 5.211079836025604e-06,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0010216890987882,
              0.9999492582365295,
              0.9991005193964952
            ],
            "cell_volume_ratio": 1.0000705415878421,
            "cell_rmsd_from_input_A": 0.005827580942295567
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.49999959928439003,
              -2.1587096977704294e-15,
              5.327461829322649e-08
            ],
            "branch_aligned_reduced_polarization": [
              0.49999959928439003,
              -2.1587096977704294e-15,
              5.327461829322649e-08
            ],
            "target_residual": 4.0424149345318914e-07,
            "energy_eV": -302.01783556345936
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "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": 4.0424149345318914e-07,
        "parent_symmetrization_rmsd_A": 0.019185904643962443,
        "parent_cell_rmsd_A": 0.005827580942295567,
        "energy_eV": -302.01783556345936,
        "reduced_polarization": [
          0.49999959928439003,
          -2.1587096977704294e-15,
          5.327461829322649e-08
        ],
        "cartesian_polarization_e_A2": [
          0.0054363320386359255,
          -4.679325907582431e-17,
          -1.7519233356314997e-06
        ],
        "ranking_score": 0.5206436083625232
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583035
            ],
            "target_residual": 0.48463877827904434,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.0660305057556228,
            "max_log_strain_component": 0.0017889005781340614,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0016875062616635,
              1.0001068179923216,
              0.9975422796598409
            ],
            "cell_volume_ratio": 0.9993323737796221,
            "cell_rmsd_from_input_A": 0.012338178201042325
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.0068633391982724085,
              1.1806597897579477e-15,
              -0.4955826639515509
            ],
            "branch_aligned_reduced_polarization": [
              -0.0068633391982724085,
              1.1806597897579477e-15,
              -0.4955826639515509
            ],
            "target_residual": 0.008162002371689847,
            "energy_eV": -300.975675536519,
            "max_atomic_step_A": 0.0008621285189729591,
            "max_log_strain_component": 2.578162958059348e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0016863433076881,
              1.0001066536390362,
              0.9975333942663442
            ],
            "cell_volume_ratio": 0.9993221480075397,
            "cell_rmsd_from_input_A": 0.012357742563403972
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -8.031138711548743e-07,
              -1.068327988345113e-15,
              -0.500002060941038
            ],
            "branch_aligned_reduced_polarization": [
              -8.031138711548743e-07,
              -1.068327988345113e-15,
              -0.500002060941038
            ],
            "target_residual": 2.211892821174881e-06,
            "energy_eV": -300.9637176011594
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_02",
        "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": [
          0.0,
          0.0,
          -0.5
        ],
        "formal_class": [
          0.0,
          0.0,
          0.5
        ],
        "target_residual": 2.211892821174881e-06,
        "parent_symmetrization_rmsd_A": 0.045915108896539276,
        "parent_cell_rmsd_A": 0.012357742563403972,
        "energy_eV": -300.9637176011594,
        "reduced_polarization": [
          -8.031138711548743e-07,
          -1.068327988345113e-15,
          -0.500002060941038
        ],
        "cartesian_polarization_e_A2": [
          1.6747136417813448e-05,
          -1.4455470836887506e-16,
          -0.008564413887985066
        ],
        "ranking_score": 0.5490089683230326
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 3,
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583035
            ],
            "target_residual": 0.48988976087363356,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.06036076445892752,
            "max_log_strain_component": 0.0019443897049462042,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0011324655011364,
              1.000035405770834,
              0.9980225852052054
            ],
            "cell_volume_ratio": 0.9991881871277726,
            "cell_rmsd_from_input_A": 0.00928320340501145
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.4970268173963631,
              -6.330604033979591e-16,
              -0.4954166172220323
            ],
            "branch_aligned_reduced_polarization": [
              0.4970268173963631,
              -6.330604033979591e-16,
              -0.4954166172220323
            ],
            "target_residual": 0.005463260243109423,
            "energy_eV": -300.889921506787,
            "max_atomic_step_A": 0.0006801615923603793,
            "max_log_strain_component": 2.2522191973641308e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0011455481579925,
              1.0000357967815745,
              0.9979997808534923
            ],
            "cell_volume_ratio": 0.9991788037692069,
            "cell_rmsd_from_input_A": 0.009390452092189411
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4999930975616853,
              1.148485190664806e-15,
              -0.4999996611140276
            ],
            "branch_aligned_reduced_polarization": [
              0.4999930975616853,
              1.148485190664806e-15,
              -0.4999996611140276
            ],
            "target_residual": 6.910752375134746e-06,
            "energy_eV": -300.8574059517134
          }
        ],
        "iterations": 2
      },
      "parent": {
        "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,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.0,
          0.5
        ],
        "target_residual": 6.910752375134746e-06,
        "parent_symmetrization_rmsd_A": 0.04238662743873455,
        "parent_cell_rmsd_A": 0.009390452092189411,
        "energy_eV": -300.8574059517134,
        "reduced_polarization": [
          0.4999930975616853,
          1.148485190664806e-15,
          -0.4999996611140276
        ],
        "cartesian_polarization_e_A2": [
          0.005434409337605537,
          -1.48786630360714e-16,
          -0.008578085806174494
        ],
        "ranking_score": 0.5447480619665321
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8318679906315083e-15,
              -0.08178094789583036
            ],
            "target_residual": 0.5627216837013065,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.08571169092208102,
            "max_log_strain_component": 0.0027399344506405356,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0038013711578984,
              0.9994732505839704,
              0.9969524613783249
            ],
            "cell_volume_ratio": 1.000215107316226,
            "cell_rmsd_from_input_A": 0.027262829024625925
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.004218426482327093,
              -0.4980347623907519,
              0.0006204753608014061
            ],
            "branch_aligned_reduced_polarization": [
              -0.004218426482327093,
              -0.4980347623907519,
              0.0006204753608014061
            ],
            "target_residual": 0.004694919650107271,
            "energy_eV": -299.72353300650474,
            "max_atomic_step_A": 0.0005302860517696048,
            "max_log_strain_component": 1.1118138835554228e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0038075567392544,
              0.9994840747674918,
              0.9969331849699073
            ],
            "cell_volume_ratio": 1.0002127632615754,
            "cell_rmsd_from_input_A": 0.027358973918717153
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -2.9458137510982193e-09,
              -0.5000024277555625,
              2.2225043571880696e-06
            ],
            "branch_aligned_reduced_polarization": [
              -2.9458137510982193e-09,
              -0.5000024277555625,
              2.2225043571880696e-06
            ],
            "target_residual": 3.2914330263058895e-06,
            "energy_eV": -299.71204843095177
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_04",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.0,
          0.5,
          0.0
        ],
        "target_residual": 3.2914330263058895e-06,
        "parent_symmetrization_rmsd_A": 0.05458993589382297,
        "parent_cell_rmsd_A": 0.027358973918717153,
        "energy_eV": -299.71204843095177,
        "reduced_polarization": [
          -2.9458137510982193e-09,
          -0.5000024277555625,
          2.2225043571880696e-06
        ],
        "cartesian_polarization_e_A2": [
          -2.51322883935888e-05,
          -0.009131447529644565,
          1.8354906985325024e-05
        ],
        "ranking_score": 0.5614362622395549
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 5,
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8318679906315083e-15,
              -0.08178094789583036
            ],
            "target_residual": 0.5672503201450436,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.08696400820110062,
            "max_log_strain_component": 0.0027399344506353115,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.002990144450628,
              1.000958326105525,
              0.9961347301914033
            ],
            "cell_volume_ratio": 1.0000707933009518,
            "cell_rmsd_from_input_A": 0.02748499986968108
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.49410208440893216,
              -0.4982845629757511,
              0.0014633304258492904
            ],
            "branch_aligned_reduced_polarization": [
              0.49410208440893216,
              -0.4982845629757511,
              0.0014633304258492904
            ],
            "target_residual": 0.00631422746175186,
            "energy_eV": -299.6409634616216,
            "max_atomic_step_A": 0.0006651228379528116,
            "max_log_strain_component": 1.3888523394638475e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0029932269720698,
              1.0009730384596087,
              0.9961127287447643
            ],
            "cell_volume_ratio": 1.0000664774300274,
            "cell_rmsd_from_input_A": 0.027597060174647532
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4999955150392623,
              -0.5000016929709359,
              2.2812616919939852e-06
            ],
            "branch_aligned_reduced_polarization": [
              0.4999955150392623,
              -0.5000016929709359,
              2.2812616919939852e-06
            ],
            "target_residual": 5.308971493205358e-06,
            "energy_eV": -299.61430322907705
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_05",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.5,
          0.5,
          0.0
        ],
        "target_residual": 5.308971493205358e-06,
        "parent_symmetrization_rmsd_A": 0.055691389705782295,
        "parent_cell_rmsd_A": 0.027597060174647532,
        "energy_eV": -299.61430322907705,
        "reduced_polarization": [
          0.4999955150392623,
          -0.5000016929709359,
          2.2812616919939852e-06
        ],
        "cartesian_polarization_e_A2": [
          0.005411167994676012,
          -0.009117160029614615,
          1.6614418596491498e-05
        ],
        "ranking_score": 0.5626012726924305
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 6,
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8318679906315083e-15,
              -0.08178094789583035
            ],
            "target_residual": 0.6963294804988532,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.10587127882220183,
            "max_log_strain_component": 0.0027399344506326044,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0042111525791049,
              0.9986580194906776,
              0.9964789356355233
            ],
            "cell_volume_ratio": 0.9993323737796292,
            "cell_rmsd_from_input_A": 0.029657557579586054
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.011173327988280647,
              -0.49788120185982765,
              -0.4931538924906946
            ],
            "branch_aligned_reduced_polarization": [
              -0.011173327988280647,
              -0.49788120185982765,
              -0.4931538924906946
            ],
            "target_residual": 0.013274100795212514,
            "energy_eV": -298.63627324413574,
            "max_atomic_step_A": 0.0014126662473036601,
            "max_log_strain_component": 4.103039572892701e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0042171297532996,
              0.9986727733556934,
              0.9964421107598134
            ],
            "cell_volume_ratio": 0.999316154740474,
            "cell_rmsd_from_input_A": 0.02978306002315357
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -4.5161489461842815e-06,
              -0.4999991920026951,
              -0.49999983968419753
            ],
            "branch_aligned_reduced_polarization": [
              -4.5161489461842815e-06,
              -0.4999991920026951,
              -0.49999983968419753
            ],
            "target_residual": 4.590660312565343e-06,
            "energy_eV": -298.59575689018334
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_06",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          -0.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 4.590660312565343e-06,
        "parent_symmetrization_rmsd_A": 0.06965437085731112,
        "parent_cell_rmsd_A": 0.02978306002315357,
        "energy_eV": -298.59575689018334,
        "reduced_polarization": [
          -4.5161489461842815e-06,
          -0.4999991920026951,
          -0.49999983968419753
        ],
        "cartesian_polarization_e_A2": [
          -8.477372765464182e-06,
          -0.009123159318880336,
          -0.008546153182688313
        ],
        "ranking_score": 0.5771093171837246
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 7,
      "formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        -0.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.24488276760297878,
              -1.8582490780782634e-15,
              -0.08178094789583036
            ],
            "branch_aligned_reduced_polarization": [
              0.24488276760297878,
              -1.8318679906315083e-15,
              -0.08178094789583035
            ],
            "target_residual": 0.6999942698399924,
            "energy_eV": -302.26310855519534,
            "max_atomic_step_A": 0.10207220842302092,
            "max_log_strain_component": 0.0027399344506273803,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.00344881157595,
              0.9997815793048093,
              0.995971559940284
            ],
            "cell_volume_ratio": 0.9991881871277795,
            "cell_rmsd_from_input_A": 0.02847026925473004
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.4921999859793016,
              -0.49680654080602865,
              -0.49219278965015256
            ],
            "branch_aligned_reduced_polarization": [
              0.4921999859793016,
              -0.49680654080602865,
              -0.49219278965015256
            ],
            "target_residual": 0.011488730730303364,
            "energy_eV": -298.4924867332213,
            "max_atomic_step_A": 0.0013971781282425496,
            "max_log_strain_component": 4.185470061576899e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 0.7792787737173538,
            "cell_principal_stretches": [
              1.0034733369157465,
              0.9997857085803596,
              0.9959261017616351
            ],
            "cell_volume_ratio": 0.9991711289639655,
            "cell_rmsd_from_input_A": 0.02871062452826282
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4999817629666167,
              -0.4999944123168625,
              -0.49999409198115075
            ],
            "branch_aligned_reduced_polarization": [
              0.4999817629666167,
              -0.4999944123168625,
              -0.49999409198115075
            ],
            "target_residual": 1.9967881114206208e-05,
            "energy_eV": -298.39518593698796
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_07",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          -0.5,
          -0.5
        ],
        "formal_class": [
          0.5,
          0.5,
          0.5
        ],
        "target_residual": 1.9967881114206208e-05,
        "parent_symmetrization_rmsd_A": 0.0677610487187326,
        "parent_cell_rmsd_A": 0.02871062452826282,
        "energy_eV": -298.39518593698796,
        "reduced_polarization": [
          0.4999817629666167,
          -0.4999944123168625,
          -0.49999409198115075
        ],
        "cartesian_polarization_e_A2": [
          0.005409021495722073,
          -0.009108712008102532,
          -0.008559757722707412
        ],
        "ranking_score": 0.5749786406130267
      },
      "branch_status": "awaiting_branch_sampling"
    }
  ],
  "sampled_polarization_branches": [
    {
      "orbit_id": 0,
      "candidate_id": "inversion_parent_endpoint_00",
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "construction": "MACEField-BEC-parent plus variable-cell P-N-P path and symmetric log-strain continuation beyond both polar endpoints",
      "geometry_diagnostics": {
        "collision_aware": false,
        "permutations_tested": 1,
        "selected_order": [
          0,
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43
        ],
        "endpoint_rmsd_A": 0.26872318620574437,
        "minimum_distance_A_by_image": [
          1.6190982170668486,
          1.617396580272233,
          1.616004983629933,
          1.6129390667697983,
          1.6083992048594193,
          1.6049126210575564,
          1.6024861903381569,
          1.6011247325478457,
          1.6008309648696728
        ],
        "minimum_distance_A": 1.6008309648696728,
        "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": [
          542.5487006600036,
          542.5487006600036,
          542.5487006600036,
          542.5487006600036,
          542.5487006600036,
          542.5487006600036,
          542.5487006600036,
          542.5487006600036,
          542.5487006600036
        ],
        "cell_deformation_log_strain_norm": 0.0
      },
      "parent_reduced_polarization": [
        3.3116287194340854e-15,
        -1.1545790240207447e-15,
        -1.0754604176358654e-15
      ],
      "incoming": {
        "reached": true,
        "construction": "variable_cell_linear_interpolation",
        "continuation_fractions": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "energies_eV": [
          -302.26310855519534,
          -302.21634147832907,
          -302.1005327295712,
          -301.9159235698378,
          -301.66842467887994,
          -301.37234404244657,
          -301.0621330278535,
          -300.8086846690098,
          -300.7077858135187
        ],
        "cartesian_polarizations_e_A2": [
          [
            0.0026627857639923815,
            -1.7905215612262307e-19,
            -0.0014023227628570123
          ],
          [
            0.0023697437491259923,
            -3.7434690069351263e-17,
            -0.0012136251383842744
          ],
          [
            0.002059524116555954,
            6.2796149040148514e-18,
            -0.001030902358590751
          ],
          [
            0.0017327349410544337,
            3.036212990250765e-17,
            -0.0008580748574172688
          ],
          [
            0.0013918040497194124,
            -7.72482159271888e-18,
            -0.0006981843521885974
          ],
          [
            0.0010396490935572409,
            5.857563393154383e-18,
            -0.0005477936251025054
          ],
          [
            0.000684266168710132,
            8.313135819978928e-18,
            -0.0003898039383352244
          ],
          [
            0.0003368399752874517,
            -8.466609096655462e-18,
            -0.0002059868539002188
          ],
          [
            3.600961881862824e-17,
            -2.1089786103300387e-17,
            -1.8442520071363386e-17
          ]
        ],
        "raw_reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252863e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3116287194340854e-15,
            -1.1545790240207447e-15,
            -1.0754604176358654e-15
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252854e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3133218391157016e-15,
            -1.1545790240207447e-15,
            -1.0755285551056204e-15
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.24488276760297834,
            0.0,
            -0.08178094789583323
          ],
          [
            0.21793375618219368,
            -2.0539125955565396e-15,
            -0.07077154602650287
          ],
          [
            0.1894047617687168,
            3.3306690738754696e-16,
            -0.06011272563216152
          ],
          [
            0.15935164704989524,
            1.6653345369377348e-15,
            -0.05003363211071837
          ],
          [
            0.12799765803501428,
            -4.440892098500626e-16,
            -0.04071190405703484
          ],
          [
            0.09561119742429036,
            3.3306690738754696e-16,
            -0.03194638075516898
          ],
          [
            0.06292797346955792,
            4.440892098500626e-16,
            -0.02273685965010297
          ],
          [
            0.030976979901051305,
            -4.440892098500626e-16,
            -0.01201685606412295
          ],
          [
            3.3306690738754696e-15,
            -1.1657341758564144e-15,
            -1.0547118733938987e-15
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -300.7077858135187,
          -300.80868466900984,
          -301.0621330278534,
          -301.37234404244646,
          -301.6684246788799,
          -301.9159235698377,
          -302.1005327295711,
          -302.2163414783291,
          -302.26310855519534
        ],
        "cartesian_polarizations_e_A2": [
          [
            5.04881166948383e-17,
            -2.334072749455622e-17,
            3.2159890407307854e-20
          ],
          [
            -0.0003368399752874538,
            -2.924944864660278e-17,
            0.00020598685390020162
          ],
          [
            -0.0006842661687101408,
            -1.172791622603181e-17,
            0.00038980393833520916
          ],
          [
            -0.0010396490935571526,
            1.3671911063934575e-17,
            0.0005477936251024848
          ],
          [
            -0.0013918040497193328,
            4.017163017008279e-17,
            0.0006981843521885762
          ],
          [
            -0.0017327349410543556,
            3.2932807286839597e-18,
            0.0008580748574171872
          ],
          [
            -0.0020595241165559013,
            2.427435659433847e-17,
            0.0010309023585906994
          ],
          [
            -0.002369743749125995,
            -8.311856876006623e-17,
            0.0012136251383842557
          ],
          [
            -0.0026627857639922752,
            2.770832115997592e-17,
            0.0014023227628569529
          ]
        ],
        "raw_reduced_polarization": [
          [
            4.643568530783988e-15,
            -1.2778088046318126e-15,
            5.666757831329424e-18
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519848e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448862e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697653e-15,
            0.08178094789582974
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            4.643568530783988e-15,
            -1.2778088046318126e-15,
            5.666757831329424e-18
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519849e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448867e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697657e-15,
            0.08178094789582974
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -0.24488276760297176,
          -2.2993556791292454e-15,
          0.08178094789583105
        ],
        "actual_opposite_endpoint_branch_residual": 5.129701748006424e-15
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252863e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3116287194340854e-15,
            -1.1545790240207447e-15,
            -1.0754604176358654e-15
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519848e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448862e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697653e-15,
            0.08178094789582974
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.24488276760297836,
            -9.802368912244041e-18,
            -0.0817809478958332
          ],
          [
            0.21793375618219368,
            -2.049395271867022e-15,
            -0.07077154602650289
          ],
          [
            0.18940476176871682,
            3.437830811365589e-16,
            -0.06011272563216154
          ],
          [
            0.1593516470498952,
            1.6622016998333825e-15,
            -0.05003363211071839
          ],
          [
            0.12799765803501428,
            -4.2290220164252854e-16,
            -0.04071190405703486
          ],
          [
            0.0956111974242904,
            3.2067749727198367e-16,
            -0.03194638075516896
          ],
          [
            0.06292797346955789,
            4.551099852113305e-16,
            -0.022736859650102977
          ],
          [
            0.030976979901051353,
            -4.635120157075397e-16,
            -0.012016856064122953
          ],
          [
            3.3133218391157016e-15,
            -1.1545790240207447e-15,
            -1.0755285551056204e-15
          ],
          [
            -0.03097697990105155,
            -1.6012869787358662e-15,
            0.012016856064121945
          ],
          [
            -0.0629279734695587,
            -6.420551637519849e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428228,
            7.4848088337063435e-16,
            0.031946380755167765
          ],
          [
            -0.12799765803500696,
            2.199231482382753e-15,
            0.04071190405703363
          ],
          [
            -0.15935164704988805,
            1.8029357106448867e-16,
            0.05003363211071361
          ],
          [
            -0.18940476176871196,
            1.3289211568170852e-15,
            0.060112725632158526
          ],
          [
            -0.21793375618219393,
            -4.550399682905287e-15,
            0.0707715460265018
          ],
          [
            -0.2448827676029686,
            1.5169165891697657e-15,
            0.08178094789582974
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            0.24488276760297834,
            0.0,
            -0.08178094789583323
          ],
          [
            0.21793375618219368,
            -2.0539125955565396e-15,
            -0.07077154602650287
          ],
          [
            0.1894047617687168,
            3.3306690738754696e-16,
            -0.06011272563216152
          ],
          [
            0.15935164704989524,
            1.6653345369377348e-15,
            -0.05003363211071837
          ],
          [
            0.12799765803501428,
            -4.440892098500626e-16,
            -0.04071190405703484
          ],
          [
            0.09561119742429036,
            3.3306690738754696e-16,
            -0.03194638075516898
          ],
          [
            0.06292797346955792,
            4.440892098500626e-16,
            -0.02273685965010297
          ],
          [
            0.030976979901051305,
            -4.440892098500626e-16,
            -0.01201685606412295
          ],
          [
            3.3306690738754696e-15,
            -1.1657341758564144e-15,
            -1.0547118733938987e-15
          ],
          [
            -0.030976979901051527,
            -1.609823385706477e-15,
            0.01201685606412195
          ],
          [
            -0.0629279734695587,
            -6.661338147750939e-16,
            0.02273685965010208
          ],
          [
            -0.09561119742428226,
            7.771561172376096e-16,
            0.03194638075516776
          ],
          [
            -0.12799765803500696,
            2.220446049250313e-15,
            0.04071190405703362
          ],
          [
            -0.15935164704988802,
            2.220446049250313e-16,
            0.050033632110713655
          ],
          [
            -0.18940476176871196,
            1.3322676295501878e-15,
            0.060112725632158526
          ],
          [
            -0.2179337561821939,
            -4.551914400963142e-15,
            0.07077154602650182
          ],
          [
            -0.24488276760296857,
            1.5543122344752192e-15,
            0.08178094789582979
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ],
      "positive_extension_structure_ids": [
        "extension_plus_00_000",
        "extension_plus_00_001",
        "extension_plus_00_002",
        "extension_plus_00_003"
      ],
      "negative_extension_structure_ids": [
        "extension_minus_00_000",
        "extension_minus_00_001",
        "extension_minus_00_002",
        "extension_minus_00_003"
      ],
      "extension": {
        "enabled": true,
        "fraction_beyond_polar_endpoint": 0.35,
        "images_per_side": 4,
        "construction": "continue fractional atomic displacements and symmetric log strain beyond +P; reflect these structures about N for the -P side",
        "positive_path_coordinates": [
          1.35,
          1.2625,
          1.175,
          1.0875
        ],
        "negative_path_coordinates": [
          -1.0875,
          -1.175,
          -1.2625,
          -1.35
        ]
      },
      "branch_coordinates": [
        1.35,
        1.2625,
        1.175,
        1.0875,
        1.0,
        0.875,
        0.75,
        0.625,
        0.5,
        0.375,
        0.25,
        0.125,
        0.0,
        -0.125,
        -0.25,
        -0.375,
        -0.5,
        -0.625,
        -0.75,
        -0.875,
        -1.0,
        -1.0875,
        -1.175,
        -1.2625,
        -1.35
      ],
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "C2/c",
        "spacegroup_number": 15,
        "pointgroup": "2/m",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 2.6426178473746736e-15,
        "parent_symmetrization_rmsd_A": 0.26872318620574437,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -300.7077858135187,
        "reduced_polarization": [
          1.5152528384627722e-15,
          -1.585183086951465e-15,
          -1.4746635221760548e-15
        ],
        "cartesian_polarization_e_A2": [
          1.6479373641072885e-17,
          -2.895529153297276e-17,
          -2.5246045295909448e-17
        ],
        "ranking_score": 0.26872318620574964
      }
    }
  ],
  "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": 48,
      "full_response": 16,
      "energy_polarization": 32
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 73,
      "full_response": 41,
      "energy_polarization": 32
    },
    "elapsed_seconds": 1065.529474059993
  }
}
