# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/65e9a76d-9a19-4565-99f7-f312ad22d895/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 TbCuS2 / P2_1/c (14) / materials id 5737](https://mdr.nims.go.jp/datasets/3d860bb1-80c9-4817-bcbd-c9600c81c97d) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.242525340000000, 0.000000000000000, 0.008904590000000 ] # a - [ 0.000000000000000, 6.935007760000000, 0.000000000000000 ] # b - [ -0.826076660000000, 0.000000000000000, 6.598499220000000 ] # c points: - symbol: S # 1 coordinates: [ 0.577964120000000, 0.275286460000000, 0.498945680000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.422035880000000, 0.775286460000000, 0.001054320000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.422035880000000, 0.724713540000000, 0.501054320000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.577964120000000, 0.224713540000000, 0.998945680000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.902977290000000, 0.610090200000000, 0.219795580000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.902977290000000, 0.889909800000000, 0.719795580000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.097022710000000, 0.389909800000000, 0.780204420000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.097022710000000, 0.110090200000000, 0.280204420000000 ] mass: 32.065000 - symbol: Cu # 9 coordinates: [ 0.925246100000000, 0.163228820000000, 0.949949790000000 ] mass: 63.546000 - symbol: Cu # 10 coordinates: [ 0.074753900000000, 0.836771180000000, 0.050050210000000 ] mass: 63.546000 - symbol: Cu # 11 coordinates: [ 0.074753900000000, 0.663228820000000, 0.550050210000000 ] mass: 63.546000 - symbol: Cu # 12 coordinates: [ 0.925246100000000, 0.336771180000000, 0.449949790000000 ] mass: 63.546000 - symbol: Tb # 13 coordinates: [ 0.692427390000000, 0.952057140000000, 0.301603270000000 ] mass: 158.925350 - symbol: Tb # 14 coordinates: [ 0.307572610000000, 0.452057140000000, 0.198396730000000 ] mass: 158.925350 - symbol: Tb # 15 coordinates: [ 0.307572610000000, 0.047942860000000, 0.698396730000000 ] mass: 158.925350 - symbol: Tb # 16 coordinates: [ 0.692427390000000, 0.547942860000000, 0.801603270000000 ] mass: 158.925350 reciprocal_lattice: # without 2pi - [ 0.160162978775936, 0.000000000000000, 0.020051059210836 ] # a* - [ 0.000000000000000, 0.144195945355366, 0.000000000000000 ] # b* - [ -0.000216137884029, 0.000000000000000, 0.151522553872282 ] # c*unit_cell: lattice: - [ 6.242525340000000, 0.000000000000000, 0.008904590000000 ] # a - [ 0.000000000000000, 6.935007760000000, 0.000000000000000 ] # b - [ -0.826076660000000, 0.000000000000000, 6.598499220000000 ] # c points: - symbol: S # 1 coordinates: [ 0.577964120000000, 0.275286460000000, 0.498945680000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.422035880000000, 0.775286460000000, 0.001054320000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.422035880000000, 0.724713540000000, 0.501054320000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.577964120000000, 0.224713540000000, 0.998945680000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.902977290000000, 0.610090200000000, 0.219795580000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.902977290000000, 0.889909800000000, 0.719795580000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.097022710000000, 0.389909800000000, 0.780204420000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.097022710000000, 0.110090200000000, 0.280204420000000 ] mass: 32.065000 reduced_to: 8 - symbol: Cu # 9 coordinates: [ 0.925246100000000, 0.163228820000000, 0.949949790000000 ] mass: 63.546000 reduced_to: 9 - symbol: Cu # 10 coordinates: [ 0.074753900000000, 0.836771180000000, 0.050050210000000 ] mass: 63.546000 reduced_to: 10 - symbol: Cu # 11 coordinates: [ 0.074753900000000, 0.663228820000000, 0.550050210000000 ] mass: 63.546000 reduced_to: 11 - symbol: Cu # 12 coordinates: [ 0.925246100000000, 0.336771180000000, 0.449949790000000 ] mass: 63.546000 reduced_to: 12 - symbol: Tb # 13 coordinates: [ 0.692427390000000, 0.952057140000000, 0.301603270000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 14 coordinates: [ 0.307572610000000, 0.452057140000000, 0.198396730000000 ] mass: 158.925350 reduced_to: 14 - symbol: Tb # 15 coordinates: [ 0.307572610000000, 0.047942860000000, 0.698396730000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 16 coordinates: [ 0.692427390000000, 0.547942860000000, 0.801603270000000 ] mass: 158.925350 reduced_to: 16supercell: lattice: - [ 12.485050680000001, 0.000000000000000, 0.017809180000000 ] # a - [ 0.000000000000000, 13.870015520000001, 0.000000000000000 ] # b - [ -1.652153320000000, 0.000000000000000, 13.196998440000000 ] # c points: - symbol: S # 1 coordinates: [ 0.288982060000000, 0.137643230000000, 0.249472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.788982060000000, 0.137643230000000, 0.249472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.288982060000000, 0.637643230000000, 0.249472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.788982060000000, 0.637643230000000, 0.249472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.288982060000000, 0.137643230000000, 0.749472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.788982060000000, 0.137643230000000, 0.749472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.288982060000000, 0.637643230000000, 0.749472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.788982060000000, 0.637643230000000, 0.749472840000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.211017940000000, 0.387643230000000, 0.000527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.711017940000000, 0.387643230000000, 0.000527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.211017940000000, 0.887643230000000, 0.000527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.711017940000000, 0.887643230000000, 0.000527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.211017940000000, 0.387643230000000, 0.500527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 14 coordinates: [ 0.711017940000000, 0.387643230000000, 0.500527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 15 coordinates: [ 0.211017940000000, 0.887643230000000, 0.500527160000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 16 coordinates: [ 0.711017940000000, 0.887643230000000, 0.500527160000000 ] mass: 32.065000 reduced_to: 9 - 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symbol: S # 53 coordinates: [ 0.048511355000000, 0.194954900000000, 0.890102210000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.548511355000000, 0.194954900000000, 0.890102210000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.048511355000000, 0.694954900000000, 0.890102210000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 56 coordinates: [ 0.548511355000000, 0.694954900000000, 0.890102210000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 57 coordinates: [ 0.048511355000000, 0.055045100000000, 0.140102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.548511355000000, 0.055045100000000, 0.140102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.048511355000000, 0.555045100000000, 0.140102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.548511355000000, 0.555045100000000, 0.140102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.048511355000000, 0.055045100000000, 0.640102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 62 coordinates: [ 0.548511355000000, 0.055045100000000, 0.640102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 63 coordinates: [ 0.048511355000000, 0.555045100000000, 0.640102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 64 coordinates: [ 0.548511355000000, 0.555045100000000, 0.640102210000000 ] mass: 32.065000 reduced_to: 57 - symbol: Cu # 65 coordinates: [ 0.462623050000000, 0.081614410000000, 0.474974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 66 coordinates: [ 0.962623050000000, 0.081614410000000, 0.474974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 67 coordinates: [ 0.462623050000000, 0.581614410000000, 0.474974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 68 coordinates: [ 0.962623050000000, 0.581614410000000, 0.474974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 69 coordinates: [ 0.462623050000000, 0.081614410000000, 0.974974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 70 coordinates: [ 0.962623050000000, 0.081614410000000, 0.974974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 71 coordinates: [ 0.462623050000000, 0.581614410000000, 0.974974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 72 coordinates: [ 0.962623050000000, 0.581614410000000, 0.974974895000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 73 coordinates: [ 0.037376950000000, 0.418385590000000, 0.025025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 74 coordinates: [ 0.537376950000000, 0.418385590000000, 0.025025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 75 coordinates: [ 0.037376950000000, 0.918385590000000, 0.025025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 76 coordinates: [ 0.537376950000000, 0.918385590000000, 0.025025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 77 coordinates: [ 0.037376950000000, 0.418385590000000, 0.525025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 78 coordinates: [ 0.537376950000000, 0.418385590000000, 0.525025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 79 coordinates: [ 0.037376950000000, 0.918385590000000, 0.525025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 80 coordinates: [ 0.537376950000000, 0.918385590000000, 0.525025105000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 81 coordinates: [ 0.037376950000000, 0.331614410000000, 0.275025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 82 coordinates: [ 0.537376950000000, 0.331614410000000, 0.275025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 83 coordinates: [ 0.037376950000000, 0.831614410000000, 0.275025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 84 coordinates: [ 0.537376950000000, 0.831614410000000, 0.275025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 85 coordinates: [ 0.037376950000000, 0.331614410000000, 0.775025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 86 coordinates: [ 0.537376950000000, 0.331614410000000, 0.775025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 87 coordinates: [ 0.037376950000000, 0.831614410000000, 0.775025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 88 coordinates: [ 0.537376950000000, 0.831614410000000, 0.775025105000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 89 coordinates: [ 0.462623050000000, 0.168385590000000, 0.224974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 90 coordinates: [ 0.962623050000000, 0.168385590000000, 0.224974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 91 coordinates: [ 0.462623050000000, 0.668385590000000, 0.224974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 92 coordinates: [ 0.962623050000000, 0.668385590000000, 0.224974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 93 coordinates: [ 0.462623050000000, 0.168385590000000, 0.724974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 94 coordinates: [ 0.962623050000000, 0.168385590000000, 0.724974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 95 coordinates: [ 0.462623050000000, 0.668385590000000, 0.724974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 96 coordinates: [ 0.962623050000000, 0.668385590000000, 0.724974895000000 ] mass: 63.546000 reduced_to: 89 - symbol: Tb # 97 coordinates: [ 0.346213695000000, 0.476028570000000, 0.150801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 98 coordinates: [ 0.846213695000000, 0.476028570000000, 0.150801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 99 coordinates: [ 0.346213695000000, 0.976028570000000, 0.150801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 100 coordinates: [ 0.846213695000000, 0.976028570000000, 0.150801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 101 coordinates: [ 0.346213695000000, 0.476028570000000, 0.650801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 102 coordinates: [ 0.846213695000000, 0.476028570000000, 0.650801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 103 coordinates: [ 0.346213695000000, 0.976028570000000, 0.650801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 104 coordinates: [ 0.846213695000000, 0.976028570000000, 0.650801635000000 ] mass: 158.925350 reduced_to: 97 - symbol: Tb # 105 coordinates: [ 0.153786305000000, 0.226028570000000, 0.099198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 106 coordinates: [ 0.653786305000000, 0.226028570000000, 0.099198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 107 coordinates: [ 0.153786305000000, 0.726028570000000, 0.099198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 108 coordinates: [ 0.653786305000000, 0.726028570000000, 0.099198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 109 coordinates: [ 0.153786305000000, 0.226028570000000, 0.599198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 110 coordinates: [ 0.653786305000000, 0.226028570000000, 0.599198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 111 coordinates: [ 0.153786305000000, 0.726028570000000, 0.599198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 112 coordinates: [ 0.653786305000000, 0.726028570000000, 0.599198365000000 ] mass: 158.925350 reduced_to: 105 - symbol: Tb # 113 coordinates: [ 0.153786305000000, 0.023971430000000, 0.349198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 114 coordinates: [ 0.653786305000000, 0.023971430000000, 0.349198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 115 coordinates: [ 0.153786305000000, 0.523971430000000, 0.349198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 116 coordinates: [ 0.653786305000000, 0.523971430000000, 0.349198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 117 coordinates: [ 0.153786305000000, 0.023971430000000, 0.849198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 118 coordinates: [ 0.653786305000000, 0.023971430000000, 0.849198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 119 coordinates: [ 0.153786305000000, 0.523971430000000, 0.849198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 120 coordinates: [ 0.653786305000000, 0.523971430000000, 0.849198365000000 ] mass: 158.925350 reduced_to: 113 - symbol: Tb # 121 coordinates: [ 0.346213695000000, 0.273971430000000, 0.400801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 122 coordinates: [ 0.846213695000000, 0.273971430000000, 0.400801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 123 coordinates: [ 0.346213695000000, 0.773971430000000, 0.400801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 124 coordinates: [ 0.846213695000000, 0.773971430000000, 0.400801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 125 coordinates: [ 0.346213695000000, 0.273971430000000, 0.900801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 126 coordinates: [ 0.846213695000000, 0.273971430000000, 0.900801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 127 coordinates: [ 0.346213695000000, 0.773971430000000, 0.900801635000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 128 coordinates: [ 0.846213695000000, 0.773971430000000, 0.900801635000000 ] mass: 158.925350 reduced_to: 121born_effective_charge:- # 1 (S) - [ -2.280309860000000, -0.105421290000000, 0.197163360000000 ] - [ -0.057488300000000, -2.808521930000000, -0.167075460000000 ] - [ -0.016776760000000, -0.252902830000000, -2.283637540000000 ]- # 2 (S) - [ -2.280309860000000, 0.105421290000000, 0.197163360000000 ] - [ 0.057488300000000, -2.808521930000000, 0.167075460000000 ] - [ -0.016776760000000, 0.252902830000000, -2.283637540000000 ]- # 3 (S) - [ -2.280309860000000, -0.105421290000000, 0.197163360000000 ] - [ -0.057488300000000, -2.808521930000000, -0.167075460000000 ] - [ -0.016776760000000, -0.252902830000000, -2.283637540000000 ]- # 4 (S) - [ -2.280309860000000, 0.105421290000000, 0.197163360000000 ] - [ 0.057488300000000, -2.808521930000000, 0.167075460000000 ] - [ -0.016776760000000, 0.252902830000000, -2.283637540000000 ]- # 5 (S) - [ -2.169596940000000, 0.427074910000000, -0.299385610000000 ] - [ 0.623776730000000, -2.398927990000000, -0.117254640000000 ] - [ -0.117773740000000, -0.202793520000000, -2.609918110000000 ]- # 6 (S) - [ -2.169596940000000, -0.427074910000000, -0.299385610000000 ] - [ -0.623776730000000, -2.398927990000000, 0.117254640000000 ] - [ -0.117773740000000, 0.202793520000000, -2.609918110000000 ]- # 7 (S) - [ -2.169596940000000, 0.427074910000000, -0.299385610000000 ] - [ 0.623776730000000, -2.398927990000000, -0.117254640000000 ] - [ -0.117773740000000, -0.202793520000000, -2.609918110000000 ]- # 8 (S) - [ -2.169596940000000, -0.427074910000000, -0.299385610000000 ] - [ -0.623776730000000, -2.398927990000000, 0.117254640000000 ] - [ -0.117773740000000, 0.202793520000000, -2.609918110000000 ]- # 9 (Cu) - [ 0.339417370000000, 0.031318330000000, 0.102306210000000 ] - [ 0.019389310000000, 0.611963600000000, 0.256521710000000 ] - [ 0.036396890000000, 0.224141580000000, 0.943930280000000 ]- # 10 (Cu) - [ 0.339417370000000, 0.031318330000000, 0.102306210000000 ] - [ 0.019389310000000, 0.611963600000000, 0.256521710000000 ] - [ 0.036396890000000, 0.224141580000000, 0.943930280000000 ]- # 11 (Cu) - [ 0.339417370000000, -0.031318330000000, 0.102306210000000 ] - [ -0.019389310000000, 0.611963600000000, -0.256521710000000 ] - [ 0.036396890000000, -0.224141580000000, 0.943930280000000 ]- # 12 (Cu) - [ 0.339417370000000, -0.031318330000000, 0.102306210000000 ] - [ -0.019389310000000, 0.611963600000000, -0.256521710000000 ] - [ 0.036396890000000, -0.224141580000000, 0.943930280000000 ]- # 13 (Tb) - [ 4.110489430000000, 0.212165210000000, -0.000083960000000 ] - [ 0.170334570000000, 4.595486330000000, -0.005308130000000 ] - [ 0.098153610000000, -0.284208270000000, 3.949625370000001 ]- # 14 (Tb) - [ 4.110489430000000, -0.212165210000000, -0.000083960000000 ] - [ -0.170334570000000, 4.595486330000000, 0.005308130000000 ] - [ 0.098153610000000, 0.284208270000000, 3.949625370000001 ]- # 15 (Tb) - [ 4.110489430000000, 0.212165210000000, -0.000083960000000 ] - [ 0.170334570000000, 4.595486330000000, -0.005308130000000 ] - [ 0.098153610000000, -0.284208270000000, 3.949625370000001 ]- # 16 (Tb) - [ 4.110489430000000, -0.212165210000000, -0.000083960000000 ] - [ -0.170334570000000, 4.595486330000000, 0.005308130000000 ] - [ 0.098153610000000, 0.284208270000000, 3.949625370000001 ]dielectric_constant: - [ 9.648479110000000, 0.000000000000000, 0.178472450000000 ] - [ 0.000000000000000, 10.787422350000000, 0.000000000000000 ] - 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