# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/8d9acaab-eda3-4cb0-922b-e24f95f297c0/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 [First-principles lattice thermal conductivity calculation for Tl5Se2Cl / P4/ncc (130) / materials id 28920](https://mdr.nims.go.jp/datasets/452a466b-9fcc-4347-883b-646a9c042282) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P4/ncc" number: 130 Hall_symbol: "P 4ab 2n -1ab"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 1.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Tl # 94 coordinates: [ 0.684844264775863, 0.168685955437683, 0.102118049062581 ] mass: 204.383300 reduced_to: 93 - symbol: Tl # 95 coordinates: [ 0.184844264775863, 0.668685955437683, 0.102118049062581 ] mass: 204.383300 reduced_to: 93 - symbol: Tl # 96 coordinates: [ 0.684844264775863, 0.668685955437683, 0.102118049062581 ] mass: 204.383300 reduced_to: 93 - symbol: Tl # 97 coordinates: [ 0.315155735224136, 0.331314044562317, 0.102118049062581 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 98 coordinates: [ 0.815155735224137, 0.331314044562317, 0.102118049062581 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 99 coordinates: [ 0.315155735224136, 0.831314044562317, 0.102118049062581 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 100 coordinates: [ 0.815155735224137, 0.831314044562317, 0.102118049062581 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 101 coordinates: [ 0.168685955437683, 0.184844264775863, 0.397881950937419 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 102 coordinates: [ 0.668685955437683, 0.184844264775863, 0.397881950937419 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 103 coordinates: [ 0.168685955437683, 0.684844264775863, 0.397881950937419 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 104 coordinates: [ 0.668685955437683, 0.684844264775863, 0.397881950937419 ] mass: 204.383300 reduced_to: 101 - symbol: Tl # 105 coordinates: [ 0.331314044562317, 0.315155735224136, 0.397881950937419 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 106 coordinates: [ 0.831314044562317, 0.315155735224136, 0.397881950937419 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 107 coordinates: [ 0.331314044562317, 0.815155735224137, 0.397881950937419 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 108 coordinates: [ 0.831314044562317, 0.815155735224137, 0.397881950937419 ] mass: 204.383300 reduced_to: 105 - symbol: Tl # 109 coordinates: [ 0.065155735224136, 0.418685955437683, 0.397881950937419 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 110 coordinates: [ 0.565155735224137, 0.418685955437683, 0.397881950937419 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 111 coordinates: [ 0.065155735224136, 0.918685955437683, 0.397881950937419 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 112 coordinates: [ 0.565155735224137, 0.918685955437683, 0.397881950937419 ] mass: 204.383300 reduced_to: 109 - symbol: Tl # 113 coordinates: [ 0.250000000000000, 0.000000000000000, 0.801897543897515 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 114 coordinates: [ 0.750000000000000, 0.000000000000000, 0.801897543897515 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 115 coordinates: [ 0.250000000000000, 0.500000000000000, 0.801897543897515 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 116 coordinates: [ 0.750000000000000, 0.500000000000000, 0.801897543897515 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 117 coordinates: [ 0.000000000000000, 0.250000000000000, 0.698102456102485 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 118 coordinates: [ 0.500000000000000, 0.250000000000000, 0.698102456102485 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 119 coordinates: [ 0.000000000000000, 0.750000000000000, 0.698102456102485 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 120 coordinates: [ 0.500000000000000, 0.750000000000000, 0.698102456102485 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 121 coordinates: [ 0.000000000000000, 0.250000000000000, 0.198102456102485 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 122 coordinates: [ 0.500000000000000, 0.250000000000000, 0.198102456102485 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 123 coordinates: [ 0.000000000000000, 0.750000000000000, 0.198102456102485 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 124 coordinates: [ 0.500000000000000, 0.750000000000000, 0.198102456102485 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 125 coordinates: [ 0.250000000000000, 0.000000000000000, 0.301897543897515 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 126 coordinates: [ 0.750000000000000, 0.000000000000000, 0.301897543897515 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 127 coordinates: [ 0.250000000000000, 0.500000000000000, 0.301897543897515 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 128 coordinates: [ 0.750000000000000, 0.500000000000000, 0.301897543897515 ] mass: 204.383300 reduced_to: 125nac: born_effective_charge: - # 1 (Cl) - [ -2.442942488750000, 0.094416540000000, 0.000000000000000 ] - [ -0.094416540000000, -2.442942488750000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.524263681250000 ] - # 2 (Cl) - [ -2.442942488750000, -0.094416540000000, 0.000000000000000 ] - [ 0.094416540000000, -2.442942488750000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.524263681250000 ] - # 3 (Cl) - [ -2.442942488750000, 0.094416540000000, 0.000000000000000 ] - [ -0.094416540000000, -2.442942488750000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.524263681250000 ] - # 4 (Cl) - [ -2.442942488750000, -0.094416540000000, 0.000000000000000 ] - [ 0.094416540000000, -2.442942488750000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.524263681250000 ] - # 5 (Se) - [ -4.315315908750000, 0.604013670000000, -0.351295680000000 ] - [ 0.604013670000000, -4.315315908750001, -0.351295680000000 ] - [ -0.923497630000000, -0.923497630000000, -1.855397831250001 ] - # 6 (Se) - [ -4.315315908750000, -0.604013670000000, 0.351295680000000 ] - [ -0.604013670000000, -4.315315908750001, -0.351295680000000 ] - [ 0.923497630000000, -0.923497630000000, -1.855397831250001 ] - # 7 (Se) - [ -4.315315908750000, -0.604013670000000, -0.351295680000000 ] - [ -0.604013670000000, -4.315315908750001, 0.351295680000000 ] - [ -0.923497630000000, 0.923497630000000, -1.855397831250001 ] - # 8 (Se) - [ -4.315315908750000, 0.604013670000000, 0.351295680000000 ] - [ 0.604013670000000, -4.315315908750001, 0.351295680000000 ] - [ 0.923497630000000, 0.923497630000000, -1.855397831250001 ] - # 9 (Se) - [ -4.315315908750000, 0.604013670000000, 0.351295680000000 ] - [ 0.604013670000000, -4.315315908750001, 0.351295680000000 ] - [ 0.923497630000000, 0.923497630000000, -1.855397831250001 ] - # 10 (Se) - [ -4.315315908750000, -0.604013670000000, -0.351295680000000 ] - [ -0.604013670000000, -4.315315908750001, 0.351295680000000 ] - [ -0.923497630000000, 0.923497630000000, -1.855397831250001 ] - # 11 (Se) - [ -4.315315908750000, -0.604013670000000, 0.351295680000000 ] - [ -0.604013670000000, -4.315315908750001, -0.351295680000000 ] - [ 0.923497630000000, -0.923497630000000, -1.855397831250001 ] - # 12 (Se) - [ -4.315315908750000, 0.604013670000000, -0.351295680000000 ] - [ 0.604013670000000, -4.315315908750001, -0.351295680000000 ] - [ -0.923497630000000, -0.923497630000000, -1.855397831250001 ] - # 13 (Tl) - [ 2.170409221250000, -0.213557230000000, -0.077651940000000 ] - [ -0.076362660000000, 2.150583671250001, -0.073125720000000 ] - [ 0.012154670000000, -0.025895190000000, 1.179276458750000 ] - # 14 (Tl) - [ 2.150583671250001, 0.076362660000000, 0.073125720000000 ] - [ 0.213557230000000, 2.170409221250000, -0.077651940000000 ] - [ 0.025895190000000, 0.012154670000000, 1.179276458750000 ] - # 15 (Tl) - [ 2.150583671250001, 0.076362660000000, -0.073125720000000 ] - [ 0.213557230000000, 2.170409221250000, 0.077651940000000 ] - [ -0.025895190000000, -0.012154670000000, 1.179276458750000 ] - # 16 (Tl) - [ 2.170409221250000, 0.213557230000000, 0.077651940000000 ] - [ 0.076362660000000, 2.150583671250001, -0.073125720000000 ] - [ -0.012154670000000, -0.025895190000000, 1.179276458750000 ] - # 17 (Tl) - [ 2.170409221250000, 0.213557230000000, -0.077651940000000 ] - [ 0.076362660000000, 2.150583671250001, 0.073125720000000 ] - [ 0.012154670000000, 0.025895190000000, 1.179276458750000 ] - # 18 (Tl) - [ 2.170409221250000, -0.213557230000000, 0.077651940000000 ] - [ -0.076362660000000, 2.150583671250001, 0.073125720000000 ] - [ -0.012154670000000, 0.025895190000000, 1.179276458750000 ] - # 19 (Tl) - [ 2.150583671250001, -0.076362660000000, 0.073125720000000 ] - [ -0.213557230000000, 2.170409221250000, 0.077651940000000 ] - [ 0.025895190000000, -0.012154670000000, 1.179276458750000 ] - # 20 (Tl) - [ 2.150583671250001, -0.076362660000000, -0.073125720000000 ] - [ -0.213557230000000, 2.170409221250000, -0.077651940000000 ] - [ -0.025895190000000, 0.012154670000000, 1.179276458750000 ] - # 21 (Tl) - [ 2.150583671250001, -0.076362660000000, -0.073125720000000 ] - [ -0.213557230000000, 2.170409221250000, -0.077651940000000 ] - [ -0.025895190000000, 0.012154670000000, 1.179276458750000 ] - # 22 (Tl) - [ 2.150583671250001, -0.076362660000000, 0.073125720000000 ] - [ -0.213557230000000, 2.170409221250000, 0.077651940000000 ] - [ 0.025895190000000, -0.012154670000000, 1.179276458750000 ] - # 23 (Tl) - [ 2.170409221250000, -0.213557230000000, 0.077651940000000 ] - [ -0.076362660000000, 2.150583671250001, 0.073125720000000 ] - [ -0.012154670000000, 0.025895190000000, 1.179276458750000 ] - # 24 (Tl) - [ 2.170409221250000, 0.213557230000000, -0.077651940000000 ] - [ 0.076362660000000, 2.150583671250001, 0.073125720000000 ] - [ 0.012154670000000, 0.025895190000000, 1.179276458750000 ] - # 25 (Tl) - [ 2.170409221250000, 0.213557230000000, 0.077651940000000 ] - [ 0.076362660000000, 2.150583671250001, -0.073125720000000 ] - [ -0.012154670000000, -0.025895190000000, 1.179276458750000 ] - # 26 (Tl) - [ 2.150583671250001, 0.076362660000000, -0.073125720000000 ] - [ 0.213557230000000, 2.170409221250000, 0.077651940000000 ] - [ -0.025895190000000, -0.012154670000000, 1.179276458750000 ] - # 27 (Tl) - [ 2.150583671250001, 0.076362660000000, 0.073125720000000 ] - [ 0.213557230000000, 2.170409221250000, -0.077651940000000 ] - [ 0.025895190000000, 0.012154670000000, 1.179276458750000 ] - # 28 (Tl) - [ 2.170409221250000, -0.213557230000000, -0.077651940000000 ] - [ -0.076362660000000, 2.150583671250001, -0.073125720000000 ] - [ 0.012154670000000, -0.025895190000000, 1.179276458750000 ] - # 29 (Tl) - [ 2.431588521250000, -0.102472540000000, 0.000000000000000 ] - [ 0.102472540000000, 2.431588521249999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.517953508750000 ] - # 30 (Tl) - [ 2.431588521250000, 0.102472540000000, 0.000000000000000 ] - [ -0.102472540000000, 2.431588521249999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.517953508750000 ] - # 31 (Tl) - [ 2.431588521250000, -0.102472540000000, 0.000000000000000 ] - [ 0.102472540000000, 2.431588521249999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.517953508750000 ] - # 32 (Tl) - [ 2.431588521250000, 0.102472540000000, 0.000000000000000 ] - [ -0.102472540000000, 2.431588521249999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.517953508750000 ] dielectric_constant: - [ 14.445434820000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 14.445434820000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 36.307022309999994 ] unit_conversion_factor: 14.399652displacement_pairs:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 1 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 19, 20, 21, 22, 23, 24 ] - atom: 2 pair_distance: 8.46060444 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 25, 26, 27, 28, 29, 30 ] - atom: 3 pair_distance: 8.46060444 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 31, 32, 33, 34, 35, 36 ] - atom: 4 pair_distance: 11.96510154 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 37, 38, 39, 40, 41, 42 ] - atom: 5 pair_distance: 7.75419087 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 43, 44, 45, 46, 47, 48 ] - atom: 6 pair_distance: 7.75419087 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 49, 50, 51, 52, 53, 54 ] - atom: 7 pair_distance: 7.75419087 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 55, 56, 57, 58, 59, 60 ] - atom: 8 pair_distance: 7.75419087 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 61, 62, 63, 64, 65, 66 ] - atom: 9 pair_distance: 6.13744505 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 67, 68, 69, 70, 71, 72 ] - atom: 10 pair_distance: 6.13744505 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 73, 74, 75, 76, 77, 78 ] - atom: 11 pair_distance: 6.13744505 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 79, 80, 81, 82, 83, 84 ] - atom: 12 pair_distance: 6.13744505 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 85, 86, 87, 88, 89, 90 ] - atom: 13 pair_distance: 6.30336268 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 91, 92, 93, 94, 95, 96 ] - atom: 14 pair_distance: 10.55055489 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 97, 98, 99, 100, 101, 102 ] - atom: 15 pair_distance: 10.55055489 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 103, 104, 105, 106, 107, 108 ] - 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