# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/12b62567-9ff8-4c1a-b42a-02d6d52e0071/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for SrPr2O4 / Pnma (62) / materials id 29605](https://mdr.nims.go.jp/datasets/51699e00-0eed-426b-bd4a-cf708c8e0a54) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.008857280000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.612575230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.248270249999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.737410490000000, 0.250000000000000, 0.850710170000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.262589510000000, 0.750000000000000, 0.149289830000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.762589510000000, 0.750000000000000, 0.350710170000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.237410490000000, 0.250000000000000, 0.649289830000000 ] mass: 87.620000 - symbol: Pr # 5 coordinates: [ 0.440454760000000, 0.250000000000000, 0.380721220000000 ] mass: 140.907650 - symbol: Pr # 6 coordinates: [ 0.559545240000000, 0.750000000000000, 0.619278780000000 ] mass: 140.907650 - symbol: Pr # 7 coordinates: [ 0.059545240000000, 0.750000000000000, 0.880721220000000 ] mass: 140.907650 - symbol: Pr # 8 coordinates: [ 0.940454760000000, 0.250000000000000, 0.119278780000000 ] mass: 140.907650 - symbol: Pr # 9 coordinates: [ 0.394861460000000, 0.250000000000000, 0.895395390000000 ] mass: 140.907650 - symbol: Pr # 10 coordinates: [ 0.605138540000000, 0.750000000000000, 0.104604610000000 ] mass: 140.907650 - symbol: Pr # 11 coordinates: [ 0.105138540000000, 0.750000000000000, 0.395395390000000 ] mass: 140.907650 - symbol: Pr # 12 coordinates: [ 0.894861460000000, 0.250000000000000, 0.604604610000000 ] mass: 140.907650 - symbol: O # 13 coordinates: [ 0.228596760000000, 0.250000000000000, 0.306595220000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.771403240000000, 0.750000000000000, 0.693404780000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.271403240000000, 0.750000000000000, 0.806595220000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.728596760000000, 0.250000000000000, 0.193404780000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.149506630000000, 0.250000000000000, 0.006828880000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.850493370000000, 0.750000000000000, 0.993171120000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.350493370000000, 0.750000000000000, 0.506828880000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.649506630000000, 0.250000000000000, 0.493171120000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.485465330000000, 0.250000000000000, 0.714948120000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.514534670000000, 0.750000000000000, 0.285051880000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.014534670000000, 0.750000000000000, 0.214948120000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.985465330000000, 0.250000000000000, 0.785051880000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.440324730000000, 0.250000000000000, 0.085748560000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.559675270000000, 0.750000000000000, 0.914251440000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.059675270000000, 0.750000000000000, 0.585748560000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.940324730000000, 0.250000000000000, 0.414251440000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.099911505581984, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.276810844434650, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081644181552901 ] # c*unit_cell: lattice: - [ 10.008857280000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.612575230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.248270249999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.737410490000000, 0.250000000000000, 0.850710170000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.262589510000000, 0.750000000000000, 0.149289830000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.762589510000000, 0.750000000000000, 0.350710170000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.237410490000000, 0.250000000000000, 0.649289830000000 ] mass: 87.620000 reduced_to: 4 - symbol: Pr # 5 coordinates: [ 0.440454760000000, 0.250000000000000, 0.380721220000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 6 coordinates: [ 0.559545240000000, 0.750000000000000, 0.619278780000000 ] mass: 140.907650 reduced_to: 6 - symbol: Pr # 7 coordinates: [ 0.059545240000000, 0.750000000000000, 0.880721220000000 ] mass: 140.907650 reduced_to: 7 - symbol: Pr # 8 coordinates: [ 0.940454760000000, 0.250000000000000, 0.119278780000000 ] mass: 140.907650 reduced_to: 8 - symbol: Pr # 9 coordinates: [ 0.394861460000000, 0.250000000000000, 0.895395390000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 10 coordinates: [ 0.605138540000000, 0.750000000000000, 0.104604610000000 ] mass: 140.907650 reduced_to: 10 - symbol: Pr # 11 coordinates: [ 0.105138540000000, 0.750000000000000, 0.395395390000000 ] mass: 140.907650 reduced_to: 11 - symbol: Pr # 12 coordinates: [ 0.894861460000000, 0.250000000000000, 0.604604610000000 ] mass: 140.907650 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.228596760000000, 0.250000000000000, 0.306595220000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.771403240000000, 0.750000000000000, 0.693404780000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.271403240000000, 0.750000000000000, 0.806595220000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.728596760000000, 0.250000000000000, 0.193404780000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.149506630000000, 0.250000000000000, 0.006828880000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.850493370000000, 0.750000000000000, 0.993171120000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.350493370000000, 0.750000000000000, 0.506828880000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.649506630000000, 0.250000000000000, 0.493171120000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.485465330000000, 0.250000000000000, 0.714948120000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.514534670000000, 0.750000000000000, 0.285051880000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.014534670000000, 0.750000000000000, 0.214948120000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.985465330000000, 0.250000000000000, 0.785051880000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.440324730000000, 0.250000000000000, 0.085748560000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.559675270000000, 0.750000000000000, 0.914251440000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.059675270000000, 0.750000000000000, 0.585748560000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.940324730000000, 0.250000000000000, 0.414251440000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 10.008857280000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.837725689999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.248270249999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.737410490000000, 0.083333333333333, 0.850710170000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.737410490000000, 0.416666666666667, 0.850710170000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.737410490000000, 0.750000000000000, 0.850710170000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.262589510000000, 0.250000000000000, 0.149289830000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.262589510000000, 0.583333333333333, 0.149289830000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 6 coordinates: [ 0.262589510000000, 0.916666666666667, 0.149289830000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 7 coordinates: [ 0.762589510000000, 0.250000000000000, 0.350710170000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.762589510000000, 0.583333333333333, 0.350710170000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.762589510000000, 0.916666666666667, 0.350710170000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 10 coordinates: [ 0.237410490000000, 0.083333333333333, 0.649289830000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.237410490000000, 0.416666666666667, 0.649289830000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 12 coordinates: [ 0.237410490000000, 0.750000000000000, 0.649289830000000 ] mass: 87.620000 reduced_to: 10 - symbol: Pr # 13 coordinates: [ 0.440454760000000, 0.083333333333333, 0.380721220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 14 coordinates: [ 0.440454760000000, 0.416666666666667, 0.380721220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 15 coordinates: [ 0.440454760000000, 0.750000000000000, 0.380721220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 16 coordinates: [ 0.559545240000000, 0.250000000000000, 0.619278780000000 ] mass: 140.907650 reduced_to: 16 - symbol: Pr # 17 coordinates: [ 0.559545240000000, 0.583333333333333, 0.619278780000000 ] mass: 140.907650 reduced_to: 16 - symbol: Pr # 18 coordinates: [ 0.559545240000000, 0.916666666666667, 0.619278780000000 ] mass: 140.907650 reduced_to: 16 - symbol: Pr # 19 coordinates: [ 0.059545240000000, 0.250000000000000, 0.880721220000000 ] mass: 140.907650 reduced_to: 19 - symbol: Pr # 20 coordinates: [ 0.059545240000000, 0.583333333333333, 0.880721220000000 ] mass: 140.907650 reduced_to: 19 - symbol: Pr # 21 coordinates: [ 0.059545240000000, 0.916666666666667, 0.880721220000000 ] mass: 140.907650 reduced_to: 19 - symbol: Pr # 22 coordinates: [ 0.940454760000000, 0.083333333333333, 0.119278780000000 ] mass: 140.907650 reduced_to: 22 - symbol: Pr # 23 coordinates: [ 0.940454760000000, 0.416666666666667, 0.119278780000000 ] mass: 140.907650 reduced_to: 22 - symbol: Pr # 24 coordinates: [ 0.940454760000000, 0.750000000000000, 0.119278780000000 ] mass: 140.907650 reduced_to: 22 - symbol: Pr # 25 coordinates: [ 0.394861460000000, 0.083333333333333, 0.895395390000000 ] mass: 140.907650 reduced_to: 25 - symbol: Pr # 26 coordinates: [ 0.394861460000000, 0.416666666666667, 0.895395390000000 ] mass: 140.907650 reduced_to: 25 - symbol: Pr # 27 coordinates: [ 0.394861460000000, 0.750000000000000, 0.895395390000000 ] mass: 140.907650 reduced_to: 25 - symbol: Pr # 28 coordinates: [ 0.605138540000000, 0.250000000000000, 0.104604610000000 ] mass: 140.907650 reduced_to: 28 - symbol: Pr # 29 coordinates: [ 0.605138540000000, 0.583333333333333, 0.104604610000000 ] mass: 140.907650 reduced_to: 28 - symbol: Pr # 30 coordinates: [ 0.605138540000000, 0.916666666666667, 0.104604610000000 ] mass: 140.907650 reduced_to: 28 - symbol: Pr # 31 coordinates: [ 0.105138540000000, 0.250000000000000, 0.395395390000000 ] mass: 140.907650 reduced_to: 31 - symbol: Pr # 32 coordinates: [ 0.105138540000000, 0.583333333333333, 0.395395390000000 ] mass: 140.907650 reduced_to: 31 - symbol: Pr # 33 coordinates: [ 0.105138540000000, 0.916666666666667, 0.395395390000000 ] mass: 140.907650 reduced_to: 31 - symbol: Pr # 34 coordinates: [ 0.894861460000000, 0.083333333333333, 0.604604610000000 ] mass: 140.907650 reduced_to: 34 - symbol: Pr # 35 coordinates: [ 0.894861460000000, 0.416666666666667, 0.604604610000000 ] mass: 140.907650 reduced_to: 34 - symbol: Pr # 36 coordinates: [ 0.894861460000000, 0.750000000000000, 0.604604610000000 ] mass: 140.907650 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.228596760000000, 0.083333333333333, 0.306595220000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.228596760000000, 0.416666666666667, 0.306595220000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.228596760000000, 0.750000000000000, 0.306595220000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.771403240000000, 0.250000000000000, 0.693404780000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.771403240000000, 0.583333333333333, 0.693404780000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.771403240000000, 0.916666666666667, 0.693404780000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.271403240000000, 0.250000000000000, 0.806595220000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.271403240000000, 0.583333333333333, 0.806595220000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.271403240000000, 0.916666666666667, 0.806595220000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.728596760000000, 0.083333333333333, 0.193404780000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.728596760000000, 0.416666666666667, 0.193404780000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.728596760000000, 0.750000000000000, 0.193404780000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.149506630000000, 0.083333333333333, 0.006828880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.149506630000000, 0.416666666666667, 0.006828880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.149506630000000, 0.750000000000000, 0.006828880000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.850493370000000, 0.250000000000000, 0.993171120000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.850493370000000, 0.583333333333333, 0.993171120000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.850493370000000, 0.916666666666667, 0.993171120000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.350493370000000, 0.250000000000000, 0.506828880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.350493370000000, 0.583333333333333, 0.506828880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.350493370000000, 0.916666666666667, 0.506828880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.649506630000000, 0.083333333333333, 0.493171120000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.649506630000000, 0.416666666666667, 0.493171120000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.649506630000000, 0.750000000000000, 0.493171120000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.485465330000000, 0.083333333333333, 0.714948120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.485465330000000, 0.416666666666667, 0.714948120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.485465330000000, 0.750000000000000, 0.714948120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.514534670000000, 0.250000000000000, 0.285051880000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.514534670000000, 0.583333333333333, 0.285051880000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.514534670000000, 0.916666666666667, 0.285051880000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.014534670000000, 0.250000000000000, 0.214948120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.014534670000000, 0.583333333333333, 0.214948120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.014534670000000, 0.916666666666667, 0.214948120000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.985465330000000, 0.083333333333333, 0.785051880000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.985465330000000, 0.416666666666667, 0.785051880000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.985465330000000, 0.750000000000000, 0.785051880000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.440324730000000, 0.083333333333333, 0.085748560000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.440324730000000, 0.416666666666667, 0.085748560000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.440324730000000, 0.750000000000000, 0.085748560000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.559675270000000, 0.250000000000000, 0.914251440000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.559675270000000, 0.583333333333333, 0.914251440000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.559675270000000, 0.916666666666667, 0.914251440000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.059675270000000, 0.250000000000000, 0.585748560000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.059675270000000, 0.583333333333333, 0.585748560000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.059675270000000, 0.916666666666667, 0.585748560000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.940324730000000, 0.083333333333333, 0.414251440000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.940324730000000, 0.416666666666667, 0.414251440000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.940324730000000, 0.750000000000000, 0.414251440000000 ] mass: 15.999400 reduced_to: 82born_effective_charge:- # 1 (Sr) - [ 2.586202200000000, 0.000000000000000, -0.046415570000000 ] - [ 0.000000000000000, 2.452025570000000, 0.000000000000000 ] - [ -0.117777540000000, 0.000000000000000, 2.521828180000000 ]- # 2 (Sr) - [ 2.586202200000000, 0.000000000000000, -0.046415570000000 ] - [ 0.000000000000000, 2.452025570000000, 0.000000000000000 ] - [ -0.117777540000000, 0.000000000000000, 2.521828180000000 ]- # 3 (Sr) - [ 2.586202200000000, 0.000000000000000, 0.046415570000000 ] - [ 0.000000000000000, 2.452025570000000, 0.000000000000000 ] - [ 0.117777540000000, 0.000000000000000, 2.521828180000000 ]- # 4 (Sr) - [ 2.586202200000000, 0.000000000000000, 0.046415570000000 ] - [ 0.000000000000000, 2.452025570000000, 0.000000000000000 ] - [ 0.117777540000000, 0.000000000000000, 2.521828180000000 ]- # 5 (Pr) - [ 3.846418080000000, 0.000000000000000, 0.167349940000000 ] - [ 0.000000000000000, 4.533579610000000, 0.000000000000000 ] - [ -0.044368510000000, 0.000000000000000, 3.614665340000000 ]- # 6 (Pr) - [ 3.846418080000000, 0.000000000000000, 0.167349940000000 ] - [ 0.000000000000000, 4.533579610000000, 0.000000000000000 ] - [ -0.044368510000000, 0.000000000000000, 3.614665340000000 ]- # 7 (Pr) - [ 3.846418080000000, 0.000000000000000, -0.167349940000000 ] - [ 0.000000000000000, 4.533579610000000, 0.000000000000000 ] - [ 0.044368510000000, 0.000000000000000, 3.614665340000000 ]- # 8 (Pr) - [ 3.846418080000000, 0.000000000000000, -0.167349940000000 ] - [ 0.000000000000000, 4.533579610000000, 0.000000000000000 ] - [ 0.044368510000000, 0.000000000000000, 3.614665340000000 ]- # 9 (Pr) - [ 3.732132990000000, 0.000000000000000, 0.290612520000000 ] - [ 0.000000000000000, 3.992437190000000, 0.000000000000000 ] - [ 0.147830450000000, 0.000000000000000, 4.071595470000000 ]- # 10 (Pr) - [ 3.732132990000000, 0.000000000000000, 0.290612520000000 ] - [ 0.000000000000000, 3.992437190000000, 0.000000000000000 ] - [ 0.147830450000000, 0.000000000000000, 4.071595470000000 ]- # 11 (Pr) - [ 3.732132990000000, 0.000000000000000, -0.290612520000000 ] - [ 0.000000000000000, 3.992437190000000, 0.000000000000000 ] - 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