{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 44,
  "input_formula": "Ca8Na16P16Si4",
  "input_spacegroup": "Cc",
  "input_pointgroup": "m",
  "input_is_polar_point_group": true,
  "input_energy_eV": -173.64338772867512,
  "input_cartesian_polarization_e_A2": [
    0.00039954108354914157,
    -8.748370044140128e-12,
    0.0003276613282768228
  ],
  "input_reduced_polarization": [
    0.0454172757433586,
    -5.627185554377107e-10,
    0.047724419386531505
  ],
  "input_formal_targets": [
    {
      "orbit_id": 0,
      "representative_formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 1,
      "representative_formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.5
      ]
    },
    {
      "orbit_id": 2,
      "representative_formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ]
    },
    {
      "orbit_id": 3,
      "representative_formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 4,
      "representative_formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.5
      ]
    },
    {
      "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,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ]
    },
    {
      "orbit_id": 7,
      "representative_formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.5
      ]
    }
  ],
  "parent_candidates": [
    {
      "candidate_id": "inversion_parent_endpoint_00",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "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": 9.016073265887745e-15,
      "parent_symmetrization_rmsd_A": 0.582920082113967,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -167.30131221049038,
      "reduced_polarization": [
        5.328591430190366e-15,
        -2.1731652694894676e-15,
        6.940680313733106e-15
      ],
      "cartesian_polarization_e_A2": [
        4.656285625298776e-17,
        -3.3785368832878e-17,
        4.765259713949277e-17
      ],
      "ranking_score": 0.5829200821139849
    },
    {
      "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": 5.636328175237361e-05,
      "parent_symmetrization_rmsd_A": 0.005987311179253319,
      "parent_cell_rmsd_A": 0.004423267805128097,
      "energy_eV": -173.64308856906612,
      "reduced_polarization": [
        1.2756980192924978e-05,
        -5.771177833326139e-13,
        -5.49006282865212e-05
      ],
      "cartesian_polarization_e_A2": [
        1.2820359169518524e-07,
        -8.970654805824844e-15,
        -3.7718365752401473e-07
      ],
      "ranking_score": 0.5072058546940401
    },
    {
      "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": 7.601747834990746e-15,
      "parent_symmetrization_rmsd_A": 0.5829201491348903,
      "parent_cell_rmsd_A": 0.004423267805128097,
      "energy_eV": -167.29765264992216,
      "reduced_polarization": [
        2.5673766954409836e-15,
        2.2316128940644704e-15,
        -6.798165262888084e-15
      ],
      "cartesian_polarization_e_A2": [
        2.480491616403688e-17,
        3.46916483885272e-17,
        -4.670649390571637e-17
      ],
      "ranking_score": 0.5840259660861875
    },
    {
      "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": [
        0.0,
        0.0,
        0.5
      ],
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_residual": 2.3609008676828906e-05,
      "parent_symmetrization_rmsd_A": 0.035422723522601056,
      "parent_cell_rmsd_A": 0.031020395180792835,
      "energy_eV": -173.60057749017216,
      "reduced_polarization": [
        -3.720962453368026e-06,
        9.860865351692624e-16,
        0.4999766860614841
      ],
      "cartesian_polarization_e_A2": [
        -0.00010343799781340554,
        -4.360635901926285e-14,
        0.0034244498524587607
      ],
      "ranking_score": 0.543225040335153
    },
    {
      "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": [
        0.5,
        0.0,
        0.0
      ],
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "target_residual": 3.307879814755462e-05,
      "parent_symmetrization_rmsd_A": 0.05395821883543148,
      "parent_cell_rmsd_A": 0.0327683492826077,
      "energy_eV": -173.24664476100367,
      "reduced_polarization": [
        0.4999727179392978,
        -1.273880999280513e-14,
        1.870550856643765e-05
      ],
      "cartesian_polarization_e_A2": [
        0.00450159123030534,
        2.542453731959281e-14,
        -1.4609656923202466e-05
      ],
      "ranking_score": 0.5622164637523785
    },
    {
      "candidate_id": "bec_projection_03",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_residual": 0.0001648280795628253,
      "parent_symmetrization_rmsd_A": 0.09125048762008368,
      "parent_cell_rmsd_A": 0.03766237812186197,
      "energy_eV": -172.87054923253143,
      "reduced_polarization": [
        -3.5157586366696736e-05,
        -0.4998809591863561,
        0.00010845056302407182
      ],
      "cartesian_polarization_e_A2": [
        -6.943396168424123e-07,
        -0.007768933803563411,
        -3.0683686826071695e-05
      ],
      "ranking_score": 0.6009957383096748
    },
    {
      "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,
        0.0,
        0.5
      ],
      "formal_class": [
        0.5,
        0.0,
        0.5
      ],
      "target_residual": 3.02670848103034e-05,
      "parent_symmetrization_rmsd_A": 0.05917024443502764,
      "parent_cell_rmsd_A": 0.04349724738288375,
      "energy_eV": -173.24968243166668,
      "reduced_polarization": [
        0.5000089444802397,
        3.460462667760052e-15,
        0.49997108473247304
      ],
      "cartesian_polarization_e_A2": [
        0.00441541208053473,
        -2.909882325338548e-13,
        0.0034159857132679576
      ],
      "ranking_score": 0.5701050904503692
    },
    {
      "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": 0.0006462328005487467,
      "parent_symmetrization_rmsd_A": 0.09554360907777465,
      "parent_cell_rmsd_A": 0.04659008784343717,
      "energy_eV": -172.79989936933018,
      "reduced_polarization": [
        -0.0002764478370952983,
        -0.49994829927680884,
        0.5005818251121187
      ],
      "cartesian_polarization_e_A2": [
        -0.00010725810474224874,
        -0.00779265256302843,
        0.0033982793369051476
      ],
      "ranking_score": 0.6084835966397314
    },
    {
      "candidate_id": "bec_projection_06",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P1",
      "spacegroup_number": 1,
      "pointgroup": "1",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 0.0008291948596381267,
      "parent_symmetrization_rmsd_A": 0.10713015811893725,
      "parent_cell_rmsd_A": 0.05106684444404277,
      "energy_eV": -172.473462939582,
      "reduced_polarization": [
        0.4994962674367547,
        -0.49965353206635205,
        0.0005601585408884803
      ],
      "cartesian_polarization_e_A2": [
        0.004494820690753631,
        -0.007731523332499811,
        -4.401385846759576e-05
      ],
      "ranking_score": 0.6215552589492241
    },
    {
      "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": 6.077296109060668e-06,
      "parent_symmetrization_rmsd_A": 0.10763338169399811,
      "parent_cell_rmsd_A": 0.0565577675942518,
      "energy_eV": -172.4528526634384,
      "reduced_polarization": [
        0.4999983411899972,
        -0.49999808893071834,
        0.5000055253680034
      ],
      "cartesian_polarization_e_A2": [
        0.004411884195332701,
        -0.0077603489362003545,
        0.0033841012078130017
      ],
      "ranking_score": 0.6217849781847792
    }
  ],
  "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": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "target_residual": 0.06588132619892995,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.008073922591049696,
            "max_log_strain_component": 0.00044390071798794937,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0004613213811953,
              0.9997460538884818,
              0.9996075591180884
            ],
            "cell_volume_ratio": 0.9998147359004352,
            "cell_rmsd_from_input_A": 0.004423267805128097
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              1.2756980192924978e-05,
              -5.771177833326139e-13,
              -5.49006282865212e-05
            ],
            "branch_aligned_reduced_polarization": [
              1.2756980192924978e-05,
              -5.771177833326139e-13,
              -5.49006282865212e-05
            ],
            "target_residual": 5.636328175237361e-05,
            "energy_eV": -173.64308856906612
          }
        ],
        "iterations": 1
      },
      "parent": {
        "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": 5.636328175237361e-05,
        "parent_symmetrization_rmsd_A": 0.005987311179253319,
        "parent_cell_rmsd_A": 0.004423267805128097,
        "energy_eV": -173.64308856906612,
        "reduced_polarization": [
          1.2756980192924978e-05,
          -5.771177833326139e-13,
          -5.49006282865212e-05
        ],
        "cartesian_polarization_e_A2": [
          1.2820359169518524e-07,
          -8.970654805824844e-15,
          -3.7718365752401473e-07
        ],
        "ranking_score": 0.5072058546940401
      },
      "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": [
          -173.6433877286751,
          -173.64375518119058,
          -173.64400707867424,
          -173.64414336413412,
          -173.64416397988944,
          -173.64406886758727,
          -173.64385796821887,
          -173.6435312221359,
          -173.64308856906612
        ],
        "cartesian_polarizations_e_A2": [
          [
            0.0003995410835491504,
            -8.748394449228994e-12,
            0.00032766132827677467
          ],
          [
            0.0003495692758245078,
            -7.65439724218086e-12,
            0.00028672425524315016
          ],
          [
            0.0002996099782933706,
            -6.560854496123766e-12,
            0.0002457677915468878
          ],
          [
            0.00024966339375313536,
            -5.467859208337522e-12,
            0.00020479195396455209
          ],
          [
            0.00019972972408182867,
            -4.375159627490029e-12,
            0.00016379676024441334
          ],
          [
            0.00014980917031073596,
            -3.2829363126442623e-12,
            0.00012278222916729394
          ],
          [
            9.990193269928393e-05,
            -2.1911481996781304e-12,
            8.174838060629482e-05
          ],
          [
            5.000821081102443e-05,
            -1.0998375114187557e-12,
            4.0695235586203644e-05
          ],
          [
            1.2820359169848277e-07,
            -8.910408067389108e-15,
            -3.771836575439353e-07
          ]
        ],
        "raw_reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214533e-05,
            -5.732422857830799e-13,
            -5.490062828942077e-05
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214841e-05,
            -5.732422857830838e-13,
            -5.490062828942058e-05
          ]
        ],
        "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": [
          [
            0.04541727574335941,
            -5.627201482560906e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900125,
            -4.923636498510575e-10,
            0.041759347905747535
          ],
          [
            0.03406024944293107,
            -4.220328531090445e-10,
            0.03579217171053051
          ],
          [
            0.02838315456359186,
            -3.517337532343845e-10,
            0.029822893896955582
          ],
          [
            0.02270703511368799,
            -2.8145014097091803e-10,
            0.023851517703483704
          ],
          [
            0.017031913418442457,
            -2.1119367366040365e-10,
            0.01787804651974856
          ],
          [
            0.011357811724099665,
            -1.4096168676758225e-10,
            0.011902483895184557
          ],
          [
            0.005684752206551624,
            -7.075690033886417e-11,
            0.0059248335476045355
          ],
          [
            1.2756980193207035e-05,
            -5.732636587651996e-13,
            -5.4900628289444864e-05
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -173.64308856906612,
          -173.64102895476327,
          -173.63885348149753,
          -173.63656215912147,
          -173.63415499648693,
          -173.63163200145436,
          -173.6289931809384,
          -173.6262385409399,
          -173.62336808657568
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.2820359165543526e-07,
            -8.926608412627146e-15,
            -3.7718365753790194e-07
          ],
          [
            -4.97007809768013e-05,
            1.0818375719805104e-12,
            -3.955674066286425e-05
          ],
          [
            -9.952874729397258e-05,
            2.172410013772186e-12,
            -7.873172526584554e-05
          ],
          [
            -0.0001493554836795009,
            3.262754512091898e-12,
            -0.00011790209476881515
          ],
          [
            -0.00019918077402369282,
            4.352868953901191e-12,
            -0.00015706779706429328
          ],
          [
            -0.0002490043977407702,
            5.4426072672341106e-12,
            -0.00019622877092628468
          ],
          [
            -0.0002988261331065379,
            6.532204130679197e-12,
            -0.0002353849535195093
          ],
          [
            -0.00034864575719756454,
            7.62153662416697e-12,
            -0.0002745362807022311
          ],
          [
            -0.00039846304568192466,
            8.710717000452919e-12,
            -0.00031368268701347716
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.2756980188475861e-05,
            -5.742844068986978e-13,
            -5.490062828854331e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.2756980188475861e-05,
            -5.742844068986978e-13,
            -5.490062828854331e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -0.04539175903351527,
          5.615738426894841e-10,
          -0.047834294245135606
        ],
        "actual_opposite_endpoint_branch_residual": 0.002150868878093247
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214533e-05,
            -5.732422857830799e-13,
            -5.490062828942077e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214841e-05,
            -5.732422857830838e-13,
            -5.490062828942058e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "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": [
          [
            0.04541727574335941,
            -5.627201482560906e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900125,
            -4.923636498510575e-10,
            0.041759347905747535
          ],
          [
            0.03406024944293107,
            -4.220328531090445e-10,
            0.03579217171053051
          ],
          [
            0.02838315456359186,
            -3.517337532343845e-10,
            0.029822893896955582
          ],
          [
            0.02270703511368799,
            -2.8145014097091803e-10,
            0.023851517703483704
          ],
          [
            0.017031913418442457,
            -2.1119367366040365e-10,
            0.01787804651974856
          ],
          [
            0.011357811724099665,
            -1.4096168676758225e-10,
            0.011902483895184557
          ],
          [
            0.005684752206551624,
            -7.075690033886417e-11,
            0.0059248335476045355
          ],
          [
            1.2756980193207035e-05,
            -5.732636587651996e-13,
            -5.4900628289444864e-05
          ],
          [
            -0.005646453401916773,
            6.959899323533136e-11,
            -0.005759096413132825
          ],
          [
            -0.011305159454416347,
            1.3975642865204918e-10,
            -0.011463305391676615
          ],
          [
            -0.016963337635942433,
            2.0989565641116315e-10,
            -0.017167521286429066
          ],
          [
            -0.022620963882293843,
            2.800165654903708e-10,
            -0.022871736449620206
          ],
          [
            -0.028278013602486995,
            3.5010960797166035e-10,
            -0.028575941905128188
          ],
          [
            -0.033934462076278704,
            4.2019010493277165e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860607,
            4.902500627679274e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642219,
            5.602965869044851e-10,
            -0.045688406953772964
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ]
    },
    {
      "orbit_id": 1,
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.04772441938653149
            ],
            "target_residual": 0.45455024997814963,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.05380399101988687,
            "max_log_strain_component": 0.0062055431575487666,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0033596513282457,
              1.0005768957506747,
              0.9920967484262943
            ],
            "cell_volume_ratio": 0.9960041068340593,
            "cell_rmsd_from_input_A": 0.0306478873703624
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.004312489174434521,
              1.1331174055175917e-11,
              0.49424691012115757
            ],
            "branch_aligned_reduced_polarization": [
              -0.004312489174434521,
              1.1331174055175917e-11,
              0.49424691012115757
            ],
            "target_residual": 0.007189965648989859,
            "energy_eV": -173.6036598867526,
            "max_atomic_step_A": 0.0008473301227671208,
            "max_log_strain_component": 6.457215396478132e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0034042989743663,
              1.000603982963744,
              0.9920307657186404
            ],
            "cell_volume_ratio": 0.9960091444716537,
            "cell_rmsd_from_input_A": 0.031020395180792835
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -3.720962453368026e-06,
              9.860865351692624e-16,
              0.4999766860614841
            ],
            "branch_aligned_reduced_polarization": [
              -3.720962453368026e-06,
              9.860865351692624e-16,
              0.4999766860614841
            ],
            "target_residual": 2.3609008676828906e-05,
            "energy_eV": -173.60057749017216
          }
        ],
        "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": [
          0.0,
          0.0,
          0.5
        ],
        "formal_class": [
          0.0,
          0.0,
          0.5
        ],
        "target_residual": 2.3609008676828906e-05,
        "parent_symmetrization_rmsd_A": 0.035422723522601056,
        "parent_cell_rmsd_A": 0.031020395180792835,
        "energy_eV": -173.60057749017216,
        "reduced_polarization": [
          -3.720962453368026e-06,
          9.860865351692624e-16,
          0.4999766860614841
        ],
        "cartesian_polarization_e_A2": [
          -0.00010343799781340554,
          -4.360635901926285e-14,
          0.0034244498524587607
        ],
        "ranking_score": 0.543225040335153
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 2,
      "formal_class": [
        0.5,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.0,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.045417275743358576,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "target_residual": 0.4570810359207339,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.05887644303434472,
            "max_log_strain_component": 0.003194133599100278,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0053381726722066,
              1.00167056329153,
              0.9988745723009309
            ],
            "cell_volume_ratio": 1.0058843281580996,
            "cell_rmsd_from_input_A": 0.03237331425503386
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.4955688285425818,
              -1.6576807655845362e-11,
              0.0056271363405436614
            ],
            "branch_aligned_reduced_polarization": [
              0.4955688285425818,
              -1.6576807655845362e-11,
              0.0056271363405436614
            ],
            "target_residual": 0.0071623979141140345,
            "energy_eV": -173.25463892835532,
            "max_atomic_step_A": 0.0009590301998294336,
            "max_log_strain_component": 9.752611813662581e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0054701004324318,
              1.0016791170269173,
              0.9988368161134805
            ],
            "cell_volume_ratio": 1.0059868919732822,
            "cell_rmsd_from_input_A": 0.0327683492826077
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4999727179392978,
              -1.273880999280513e-14,
              1.870550856643765e-05
            ],
            "branch_aligned_reduced_polarization": [
              0.4999727179392978,
              -1.273880999280513e-14,
              1.870550856643765e-05
            ],
            "target_residual": 3.307879814755462e-05,
            "energy_eV": -173.24664476100367
          }
        ],
        "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": [
          0.5,
          0.0,
          0.0
        ],
        "formal_class": [
          0.5,
          0.0,
          0.0
        ],
        "target_residual": 3.307879814755462e-05,
        "parent_symmetrization_rmsd_A": 0.05395821883543148,
        "parent_cell_rmsd_A": 0.0327683492826077,
        "energy_eV": -173.24664476100367,
        "reduced_polarization": [
          0.4999727179392978,
          -1.273880999280513e-14,
          1.870550856643765e-05
        ],
        "cartesian_polarization_e_A2": [
          0.00450159123030534,
          2.542453731959281e-14,
          -1.4609656923202466e-05
        ],
        "ranking_score": 0.5622164637523785
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 3,
      "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": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.0454172757433586,
              -5.627185384327049e-10,
              0.047724419386531505
            ],
            "target_residual": 0.5043216717324482,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.003821425214448202,
            "step_scale": 0.959335505959327,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0039356021250117,
              0.9996429883513293,
              0.9962584675964421
            ],
            "cell_volume_ratio": 0.9998222688618156,
            "cell_rmsd_from_input_A": 0.03544779876775249
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -0.0012711643373723932,
              -0.47447186403046193,
              0.023032237844522185
            ],
            "branch_aligned_reduced_polarization": [
              -0.0012711643373723932,
              -0.47447186403046193,
              0.023032237844522185
            ],
            "target_residual": 0.03440618498146039,
            "energy_eV": -172.95552262152847,
            "max_atomic_step_A": 0.00783992274301885,
            "max_log_strain_component": 0.00036991906283885816,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0043557417885554,
              0.9995466779528934,
              0.9961639425432361
            ],
            "cell_volume_ratio": 1.0000494253990537,
            "cell_rmsd_from_input_A": 0.03766237812186197
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -3.5157586366696736e-05,
              -0.4998809591863561,
              0.00010845056302407182
            ],
            "branch_aligned_reduced_polarization": [
              -3.5157586366696736e-05,
              -0.4998809591863561,
              0.00010845056302407182
            ],
            "target_residual": 0.0001648280795628253,
            "energy_eV": -172.87054923253143
          }
        ],
        "iterations": 2
      },
      "parent": {
        "candidate_id": "bec_projection_03",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P1",
        "spacegroup_number": 1,
        "pointgroup": "1",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.0,
          0.5,
          0.0
        ],
        "target_residual": 0.0001648280795628253,
        "parent_symmetrization_rmsd_A": 0.09125048762008368,
        "parent_cell_rmsd_A": 0.03766237812186197,
        "energy_eV": -172.87054923253143,
        "reduced_polarization": [
          -3.5157586366696736e-05,
          -0.4998809591863561,
          0.00010845056302407182
        ],
        "cartesian_polarization_e_A2": [
          -6.943396168424123e-07,
          -0.007768933803563411,
          -3.0683686826071695e-05
        ],
        "ranking_score": 0.6009957383096748
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "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": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.045417275743358576,
              -5.627185554377107e-10,
              0.04772441938653149
            ],
            "target_residual": 0.6412477321689642,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.07944291820931236,
            "max_log_strain_component": 0.004105230277745711,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0037857511704251,
              1.0025030045228531,
              0.9957789197361571
            ],
            "cell_volume_ratio": 1.0020505658412848,
            "cell_rmsd_from_input_A": 0.04320840028948687
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.49893933675327373,
              3.8487216765184495e-11,
              0.49510654276472676
            ],
            "branch_aligned_reduced_polarization": [
              0.49893933675327373,
              3.8487216765184495e-11,
              0.49510654276472676
            ],
            "target_residual": 0.005007087999666461,
            "energy_eV": -173.2528935777556,
            "max_atomic_step_A": 0.0005554993994405905,
            "max_log_strain_component": 6.47212093544357e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0038187982214661,
              1.0025157203714594,
              0.9957066516083486
            ],
            "cell_volume_ratio": 1.0020235396882204,
            "cell_rmsd_from_input_A": 0.04349724738288375
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.5000089444802397,
              3.460462667760052e-15,
              0.49997108473247304
            ],
            "branch_aligned_reduced_polarization": [
              0.5000089444802397,
              3.460462667760052e-15,
              0.49997108473247304
            ],
            "target_residual": 3.02670848103034e-05,
            "energy_eV": -173.24968243166668
          }
        ],
        "iterations": 2
      },
      "parent": {
        "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,
          0.0,
          0.5
        ],
        "formal_class": [
          0.5,
          0.0,
          0.5
        ],
        "target_residual": 3.02670848103034e-05,
        "parent_symmetrization_rmsd_A": 0.05917024443502764,
        "parent_cell_rmsd_A": 0.04349724738288375,
        "energy_eV": -173.24968243166668,
        "reduced_polarization": [
          0.5000089444802397,
          3.460462667760052e-15,
          0.49997108473247304
        ],
        "cartesian_polarization_e_A2": [
          0.00441541208053473,
          -2.909882325338548e-13,
          0.0034159857132679576
        ],
        "ranking_score": 0.5701050904503692
      },
      "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": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.0454172757433586,
              -5.627185384327049e-10,
              0.04772441938653149
            ],
            "target_residual": 0.6757336229554364,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.005170343447180805,
            "step_scale": 0.8331814501731473,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0036049741495896,
              1.0008218154943953,
              0.9922740562845522
            ],
            "cell_volume_ratio": 0.9966695845354571,
            "cell_rmsd_from_input_A": 0.039757504153237234
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.0019888865129810067,
              -0.419266299089231,
              0.4371572851342856
            ],
            "branch_aligned_reduced_polarization": [
              0.0019888865129810067,
              -0.419266299089231,
              0.4371572851342856
            ],
            "target_residual": 0.10232835845455794,
            "energy_eV": -173.07742218507659,
            "max_atomic_step_A": 0.02168110941065336,
            "max_log_strain_component": 0.000725747042011533,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0042070009115196,
              1.0009834789623695,
              0.9911007887622633
            ],
            "cell_volume_ratio": 0.9962491781357621,
            "cell_rmsd_from_input_A": 0.04659008784343717
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -0.0002764478370952983,
              -0.49994829927680884,
              0.5005818251121187
            ],
            "branch_aligned_reduced_polarization": [
              -0.0002764478370952983,
              -0.49994829927680884,
              0.5005818251121187
            ],
            "target_residual": 0.0006462328005487467,
            "energy_eV": -172.79989936933018
          }
        ],
        "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": [
          0.0,
          -0.5,
          0.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 0.0006462328005487467,
        "parent_symmetrization_rmsd_A": 0.09554360907777465,
        "parent_cell_rmsd_A": 0.04659008784343717,
        "energy_eV": -172.79989936933018,
        "reduced_polarization": [
          -0.0002764478370952983,
          -0.49994829927680884,
          0.5005818251121187
        ],
        "cartesian_polarization_e_A2": [
          -0.00010725810474224874,
          -0.00779265256302843,
          0.0033982793369051476
        ],
        "ranking_score": 0.6084835966397314
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 6,
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        -0.5,
        0.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.045417275743358576,
              -5.627185384327049e-10,
              0.047724419386531505
            ],
            "target_residual": 0.6774386118576743,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.003724136714602226,
            "step_scale": 0.9349120810530853,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0067618102908396,
              1.0015946754905631,
              0.9971567992876933
            ],
            "cell_volume_ratio": 1.0055002781379832,
            "cell_rmsd_from_input_A": 0.04595979255546338
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.45765943963263117,
              -0.45937530546852984,
              0.02906069557275086
            ],
            "branch_aligned_reduced_polarization": [
              0.45765943963263117,
              -0.45937530546852984,
              0.02906069557275086
            ],
            "target_residual": 0.06547986625803512,
            "energy_eV": -172.66166521653028,
            "max_atomic_step_A": 0.012946881644932769,
            "max_log_strain_component": 0.0007151286746931058,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0078752369400612,
              1.0016755235156634,
              0.9968470576821603
            ],
            "cell_volume_ratio": 1.0063808586822303,
            "cell_rmsd_from_input_A": 0.05106684444404277
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4994962674367547,
              -0.49965353206635205,
              0.0005601585408884803
            ],
            "branch_aligned_reduced_polarization": [
              0.4994962674367547,
              -0.49965353206635205,
              0.0005601585408884803
            ],
            "target_residual": 0.0008291948596381267,
            "energy_eV": -172.473462939582
          }
        ],
        "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": [
          0.5,
          -0.5,
          0.0
        ],
        "formal_class": [
          0.5,
          0.5,
          0.0
        ],
        "target_residual": 0.0008291948596381267,
        "parent_symmetrization_rmsd_A": 0.10713015811893725,
        "parent_cell_rmsd_A": 0.05106684444404277,
        "energy_eV": -172.473462939582,
        "reduced_polarization": [
          0.4994962674367547,
          -0.49965353206635205,
          0.0005601585408884803
        ],
        "cartesian_polarization_e_A2": [
          0.004494820690753631,
          -0.007731523332499811,
          -4.401385846759576e-05
        ],
        "ranking_score": 0.6215552589492241
      },
      "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": [
              0.0454172757433586,
              -5.627185554377107e-10,
              0.047724419386531505
            ],
            "branch_aligned_reduced_polarization": [
              0.045417275743358576,
              -5.627185384327049e-10,
              0.04772441938653149
            ],
            "target_residual": 0.8131412260174251,
            "energy_eV": -173.64338772867512,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.003465693732840399,
            "step_scale": 0.8442142092648709,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0039024492717457,
              1.0029519721173048,
              0.9948999160678832
            ],
            "cell_volume_ratio": 1.0017308405014167,
            "cell_rmsd_from_input_A": 0.047924218235755725
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.42195616529529295,
              -0.42265441449799424,
              0.4436818087174613
            ],
            "branch_aligned_reduced_polarization": [
              0.42195616529529295,
              -0.42265441449799424,
              0.4436818087174613
            ],
            "target_residual": 0.12347031384669084,
            "energy_eV": -172.80696422644445,
            "max_atomic_step_A": 0.022129725437725168,
            "max_log_strain_component": 0.0006318852682497921,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0045995562112462,
              1.0035216982981845,
              0.9942900237277384
            ],
            "cell_volume_ratio": 1.0023810118242826,
            "cell_rmsd_from_input_A": 0.05654459922634932
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.49936977903193724,
              -0.4997673524986912,
              0.5007506529879714
            ],
            "branch_aligned_reduced_polarization": [
              0.49936977903193724,
              -0.4997673524986912,
              0.5007506529879714
            ],
            "target_residual": 0.001007364500467215,
            "energy_eV": -172.4541309610586,
            "max_atomic_step_A": 0.0001465618043983254,
            "max_log_strain_component": 1.4153373510035638e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 2.0384287667558034,
            "cell_principal_stretches": [
              1.0046011689622028,
              1.0035235791683992,
              0.9943011485909146
            ],
            "cell_volume_ratio": 1.0023957151791871,
            "cell_rmsd_from_input_A": 0.0565577675942518
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.4999983411899972,
              -0.49999808893071834,
              0.5000055253680034
            ],
            "branch_aligned_reduced_polarization": [
              0.4999983411899972,
              -0.49999808893071834,
              0.5000055253680034
            ],
            "target_residual": 6.077296109060668e-06,
            "energy_eV": -172.4528526634384
          }
        ],
        "iterations": 3
      },
      "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": 6.077296109060668e-06,
        "parent_symmetrization_rmsd_A": 0.10763338169399811,
        "parent_cell_rmsd_A": 0.0565577675942518,
        "energy_eV": -172.4528526634384,
        "reduced_polarization": [
          0.4999983411899972,
          -0.49999808893071834,
          0.5000055253680034
        ],
        "cartesian_polarization_e_A2": [
          0.004411884195332701,
          -0.0077603489362003545,
          0.0033841012078130017
        ],
        "ranking_score": 0.6217849781847792
      },
      "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,
          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": 0.005987311179253319,
        "minimum_distance_A_by_image": [
          2.267316737064365,
          2.267445067629596,
          2.267573968594129,
          2.2677034397890776,
          2.267833481045192,
          2.26796409219288,
          2.2680952730621797,
          2.268227023482779,
          2.2683593432840126
        ],
        "minimum_distance_A": 2.267316737064365,
        "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": [
          1017.8713264275109,
          1017.8477526398726,
          1017.8241793981998,
          1017.8006067024806,
          1017.7770345527034,
          1017.7534629488538,
          1017.7298918909198,
          1017.7063213788898,
          1017.6827514127485
        ],
        "cell_deformation_log_strain_norm": 0.0006567302310182542
      },
      "parent_reduced_polarization": [
        1.2756980193214533e-05,
        -5.732422857830799e-13,
        -5.490062828942077e-05
      ],
      "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": [
          -173.6433877286751,
          -173.64375518119058,
          -173.64400707867424,
          -173.64414336413412,
          -173.64416397988944,
          -173.64406886758727,
          -173.64385796821887,
          -173.6435312221359,
          -173.64308856906612
        ],
        "cartesian_polarizations_e_A2": [
          [
            0.0003995410835491504,
            -8.748394449228994e-12,
            0.00032766132827677467
          ],
          [
            0.0003495692758245078,
            -7.65439724218086e-12,
            0.00028672425524315016
          ],
          [
            0.0002996099782933706,
            -6.560854496123766e-12,
            0.0002457677915468878
          ],
          [
            0.00024966339375313536,
            -5.467859208337522e-12,
            0.00020479195396455209
          ],
          [
            0.00019972972408182867,
            -4.375159627490029e-12,
            0.00016379676024441334
          ],
          [
            0.00014980917031073596,
            -3.2829363126442623e-12,
            0.00012278222916729394
          ],
          [
            9.990193269928393e-05,
            -2.1911481996781304e-12,
            8.174838060629482e-05
          ],
          [
            5.000821081102443e-05,
            -1.0998375114187557e-12,
            4.0695235586203644e-05
          ],
          [
            1.2820359169848277e-07,
            -8.910408067389108e-15,
            -3.771836575439353e-07
          ]
        ],
        "raw_reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214533e-05,
            -5.732422857830799e-13,
            -5.490062828942077e-05
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214841e-05,
            -5.732422857830838e-13,
            -5.490062828942058e-05
          ]
        ],
        "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": [
          [
            0.04541727574335941,
            -5.627201482560906e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900125,
            -4.923636498510575e-10,
            0.041759347905747535
          ],
          [
            0.03406024944293107,
            -4.220328531090445e-10,
            0.03579217171053051
          ],
          [
            0.02838315456359186,
            -3.517337532343845e-10,
            0.029822893896955582
          ],
          [
            0.02270703511368799,
            -2.8145014097091803e-10,
            0.023851517703483704
          ],
          [
            0.017031913418442457,
            -2.1119367366040365e-10,
            0.01787804651974856
          ],
          [
            0.011357811724099665,
            -1.4096168676758225e-10,
            0.011902483895184557
          ],
          [
            0.005684752206551624,
            -7.075690033886417e-11,
            0.0059248335476045355
          ],
          [
            1.2756980193207035e-05,
            -5.732636587651996e-13,
            -5.4900628289444864e-05
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -173.64308856906612,
          -173.64102895476327,
          -173.63885348149753,
          -173.63656215912147,
          -173.63415499648693,
          -173.63163200145436,
          -173.6289931809384,
          -173.6262385409399,
          -173.62336808657568
        ],
        "cartesian_polarizations_e_A2": [
          [
            1.2820359165543526e-07,
            -8.926608412627146e-15,
            -3.7718365753790194e-07
          ],
          [
            -4.97007809768013e-05,
            1.0818375719805104e-12,
            -3.955674066286425e-05
          ],
          [
            -9.952874729397258e-05,
            2.172410013772186e-12,
            -7.873172526584554e-05
          ],
          [
            -0.0001493554836795009,
            3.262754512091898e-12,
            -0.00011790209476881515
          ],
          [
            -0.00019918077402369282,
            4.352868953901191e-12,
            -0.00015706779706429328
          ],
          [
            -0.0002490043977407702,
            5.4426072672341106e-12,
            -0.00019622877092628468
          ],
          [
            -0.0002988261331065379,
            6.532204130679197e-12,
            -0.0002353849535195093
          ],
          [
            -0.00034864575719756454,
            7.62153662416697e-12,
            -0.0002745362807022311
          ],
          [
            -0.00039846304568192466,
            8.710717000452919e-12,
            -0.00031368268701347716
          ]
        ],
        "raw_reduced_polarization": [
          [
            1.2756980188475861e-05,
            -5.742844068986978e-13,
            -5.490062828854331e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            1.2756980188475861e-05,
            -5.742844068986978e-13,
            -5.490062828854331e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -0.04539175903351527,
          5.615738426894841e-10,
          -0.047834294245135606
        ],
        "actual_opposite_endpoint_branch_residual": 0.002150868878093247
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214533e-05,
            -5.732422857830799e-13,
            -5.490062828942077e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            0.04541727574335939,
            -5.627201252382887e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900123,
            -4.923636334934048e-10,
            0.041759347905747535
          ],
          [
            0.034060249442931075,
            -4.220328489958774e-10,
            0.035792171710530535
          ],
          [
            0.028383154563591823,
            -3.5173375596142397e-10,
            0.029822893896955593
          ],
          [
            0.022707035113688025,
            -2.814501629213998e-10,
            0.023851517703483704
          ],
          [
            0.01703191341844247,
            -2.1119368642983716e-10,
            0.01787804651974859
          ],
          [
            0.011357811724099694,
            -1.4096168733342887e-10,
            0.01190248389518453
          ],
          [
            0.0056847522065515904,
            -7.075688397343084e-11,
            0.0059248335476045424
          ],
          [
            1.2756980193214841e-05,
            -5.732422857830838e-13,
            -5.490062828942058e-05
          ],
          [
            -0.005646453401916753,
            6.95990210941305e-11,
            -0.005759096413132818
          ],
          [
            -0.011305159454416342,
            1.3975644264514444e-10,
            -0.011463305391676629
          ],
          [
            -0.01696333763594241,
            2.0989565187094162e-10,
            -0.01716752128642908
          ],
          [
            -0.022620963882293833,
            2.8001651346322856e-10,
            -0.0228717364496202
          ],
          [
            -0.028278013602486995,
            3.5010963208142056e-10,
            -0.02857594190512819
          ],
          [
            -0.03393446207627868,
            4.2019010404720614e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860608,
            4.902500232894718e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642221,
            5.602966109789607e-10,
            -0.045688406953772985
          ]
        ],
        "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": [
          [
            0.04541727574335941,
            -5.627201482560906e-10,
            0.0477244193865245
          ],
          [
            0.03973829733900125,
            -4.923636498510575e-10,
            0.041759347905747535
          ],
          [
            0.03406024944293107,
            -4.220328531090445e-10,
            0.03579217171053051
          ],
          [
            0.02838315456359186,
            -3.517337532343845e-10,
            0.029822893896955582
          ],
          [
            0.02270703511368799,
            -2.8145014097091803e-10,
            0.023851517703483704
          ],
          [
            0.017031913418442457,
            -2.1119367366040365e-10,
            0.01787804651974856
          ],
          [
            0.011357811724099665,
            -1.4096168676758225e-10,
            0.011902483895184557
          ],
          [
            0.005684752206551624,
            -7.075690033886417e-11,
            0.0059248335476045355
          ],
          [
            1.2756980193207035e-05,
            -5.732636587651996e-13,
            -5.4900628289444864e-05
          ],
          [
            -0.005646453401916773,
            6.959899323533136e-11,
            -0.005759096413132825
          ],
          [
            -0.011305159454416347,
            1.3975642865204918e-10,
            -0.011463305391676615
          ],
          [
            -0.016963337635942433,
            2.0989565641116315e-10,
            -0.017167521286429066
          ],
          [
            -0.022620963882293843,
            2.800165654903708e-10,
            -0.022871736449620206
          ],
          [
            -0.028278013602486995,
            3.5010960797166035e-10,
            -0.028575941905128188
          ],
          [
            -0.033934462076278704,
            4.2019010493277165e-10,
            -0.03428012844158074
          ],
          [
            -0.03959028444860607,
            4.902500627679274e-10,
            -0.039984286656378765
          ],
          [
            -0.04524545570642219,
            5.602965869044851e-10,
            -0.045688406953772964
          ]
        ]
      },
      "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": "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": 5.636328175237361e-05,
        "parent_symmetrization_rmsd_A": 0.005987311179253319,
        "parent_cell_rmsd_A": 0.004423267805128097,
        "energy_eV": -173.64308856906612,
        "reduced_polarization": [
          1.2756980192924978e-05,
          -5.771177833326139e-13,
          -5.49006282865212e-05
        ],
        "cartesian_polarization_e_A2": [
          1.2820359169518524e-07,
          -8.970654805824844e-15,
          -3.7718365752401473e-07
        ],
        "ranking_score": 0.5072058546940401
      }
    }
  ],
  "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": 49,
      "full_response": 17,
      "energy_polarization": 32
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 74,
      "full_response": 42,
      "energy_polarization": 32
    },
    "elapsed_seconds": 607.7030432330212
  }
}
