# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/89dfb0b5-d117-43ef-89ec-7eff41b739fd/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 Sr2TmTaO6 / P2_1/c (14) / materials id 16605](https://mdr.nims.go.jp/datasets/3d8af327-1ba7-45c6-8c0f-c2946d49b65a) ## 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, 1 ]primitive_cell: lattice: - [ 5.757121770000000, 0.000000000000000, 0.000132000000000 ] # a - [ 0.000000000000000, 5.823574490000000, 0.000000000000000 ] # b - [ -5.733143530000000, 0.000000000000000, 8.166512819999999 ] # c points: - symbol: O # 1 coordinates: [ 0.684369130000000, 0.978427380000000, 0.262644040000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.315630870000000, 0.478427380000000, 0.237355960000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.315630870000000, 0.021572620000000, 0.737355960000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.684369130000000, 0.521572620000000, 0.762644040000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.156456100000000, 0.275031890000000, 0.456911950000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.843543900000000, 0.775031890000000, 0.043088050000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.843543900000000, 0.724968110000000, 0.543088050000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.156456100000000, 0.224968110000000, 0.956911950000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.234207750000000, 0.701732590000000, 0.959930620000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.765792250000000, 0.201732590000000, 0.540069380000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.765792250000000, 0.298267410000000, 0.040069380000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.234207750000000, 0.798267410000000, 0.459930620000000 ] mass: 15.999400 - symbol: Sr # 13 coordinates: [ 0.757836880000000, 0.965006330000000, 0.749683860000000 ] mass: 87.620000 - symbol: Sr # 14 coordinates: [ 0.242163120000000, 0.465006330000000, 0.750316140000000 ] mass: 87.620000 - symbol: Sr # 15 coordinates: [ 0.757836880000000, 0.534993670000000, 0.249683860000000 ] mass: 87.620000 - symbol: Sr # 16 coordinates: [ 0.242163120000000, 0.034993670000000, 0.250316140000000 ] mass: 87.620000 - symbol: Tm # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 168.934210 - symbol: Tm # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 - symbol: Ta # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 - symbol: Ta # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.173695110848779, 0.000000000000000, 0.121939317662800 ] # a* - [ 0.000000000000000, 0.171715842515135, 0.000000000000000 ] # b* - [ -0.000002807533048, 0.000000000000000, 0.122449315399479 ] # c*unit_cell: lattice: - [ 5.757121770000000, 0.000000000000000, 0.000132000000000 ] # a - [ 0.000000000000000, 5.823574490000000, 0.000000000000000 ] # b - [ -5.733143530000000, 0.000000000000000, 8.166512819999999 ] # c points: - symbol: O # 1 coordinates: [ 0.684369130000000, 0.978427380000000, 0.262644040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.315630870000000, 0.478427380000000, 0.237355960000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.315630870000000, 0.021572620000000, 0.737355960000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.684369130000000, 0.521572620000000, 0.762644040000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.156456100000000, 0.275031890000000, 0.456911950000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.843543900000000, 0.775031890000000, 0.043088050000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.843543900000000, 0.724968110000000, 0.543088050000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.156456100000000, 0.224968110000000, 0.956911950000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.234207750000000, 0.701732590000000, 0.959930620000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.765792250000000, 0.201732590000000, 0.540069380000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.765792250000000, 0.298267410000000, 0.040069380000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.234207750000000, 0.798267410000000, 0.459930620000000 ] mass: 15.999400 reduced_to: 12 - symbol: Sr # 13 coordinates: [ 0.757836880000000, 0.965006330000000, 0.749683860000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.242163120000000, 0.465006330000000, 0.750316140000000 ] mass: 87.620000 reduced_to: 14 - symbol: Sr # 15 coordinates: [ 0.757836880000000, 0.534993670000000, 0.249683860000000 ] mass: 87.620000 reduced_to: 15 - symbol: Sr # 16 coordinates: [ 0.242163120000000, 0.034993670000000, 0.250316140000000 ] mass: 87.620000 reduced_to: 16 - symbol: Tm # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 18 - symbol: Ta # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 19 - symbol: Ta # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 20supercell: lattice: - [ 11.514243540000001, 0.000000000000000, 0.000264000000000 ] # a - [ 0.000000000000000, 11.647148980000001, 0.000000000000000 ] # b - [ -5.733143530000000, 0.000000000000000, 8.166512819999999 ] # c points: - symbol: O # 1 coordinates: [ 0.342184565000000, 0.489213690000000, 0.262644040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.842184565000000, 0.489213690000000, 0.262644040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.342184565000000, 0.989213690000000, 0.262644040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.842184565000000, 0.989213690000000, 0.262644040000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.157815435000000, 0.239213690000000, 0.237355960000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.657815435000000, 0.239213690000000, 0.237355960000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.157815435000000, 0.739213690000000, 0.237355960000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.657815435000000, 0.739213690000000, 0.237355960000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.157815435000000, 0.010786310000000, 0.737355960000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.657815435000000, 0.010786310000000, 0.737355960000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.157815435000000, 0.510786310000000, 0.737355960000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.657815435000000, 0.510786310000000, 0.737355960000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.342184565000000, 0.260786310000000, 0.762644040000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.842184565000000, 0.260786310000000, 0.762644040000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.342184565000000, 0.760786310000000, 0.762644040000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.842184565000000, 0.760786310000000, 0.762644040000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.078228050000000, 0.137515945000000, 0.456911950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.578228050000000, 0.137515945000000, 0.456911950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.078228050000000, 0.637515945000000, 0.456911950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.578228050000000, 0.637515945000000, 0.456911950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.421771950000000, 0.387515945000000, 0.043088050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.921771950000000, 0.387515945000000, 0.043088050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.421771950000000, 0.887515945000000, 0.043088050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.921771950000000, 0.887515945000000, 0.043088050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.421771950000000, 0.362484055000000, 0.543088050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.921771950000000, 0.362484055000000, 0.543088050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.421771950000000, 0.862484055000000, 0.543088050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.921771950000000, 0.862484055000000, 0.543088050000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.078228050000000, 0.112484055000000, 0.956911950000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.578228050000000, 0.112484055000000, 0.956911950000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.078228050000000, 0.612484055000000, 0.956911950000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.578228050000000, 0.612484055000000, 0.956911950000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.117103875000000, 0.350866295000000, 0.959930620000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.617103875000000, 0.350866295000000, 0.959930620000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.117103875000000, 0.850866295000000, 0.959930620000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.617103875000000, 0.850866295000000, 0.959930620000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.382896125000000, 0.100866295000000, 0.540069380000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.882896125000000, 0.100866295000000, 0.540069380000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.382896125000000, 0.600866295000000, 0.540069380000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.882896125000000, 0.600866295000000, 0.540069380000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.382896125000000, 0.149133705000000, 0.040069380000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.882896125000000, 0.149133705000000, 0.040069380000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.382896125000000, 0.649133705000000, 0.040069380000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.882896125000000, 0.649133705000000, 0.040069380000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.117103875000000, 0.399133705000000, 0.459930620000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.617103875000000, 0.399133705000000, 0.459930620000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.117103875000000, 0.899133705000000, 0.459930620000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.617103875000000, 0.899133705000000, 0.459930620000000 ] mass: 15.999400 reduced_to: 45 - symbol: Sr # 49 coordinates: [ 0.378918440000000, 0.482503165000000, 0.749683860000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 50 coordinates: [ 0.878918440000000, 0.482503165000000, 0.749683860000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 51 coordinates: [ 0.378918440000000, 0.982503165000000, 0.749683860000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 52 coordinates: [ 0.878918440000000, 0.982503165000000, 0.749683860000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 53 coordinates: [ 0.121081560000000, 0.232503165000000, 0.750316140000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 54 coordinates: [ 0.621081560000000, 0.232503165000000, 0.750316140000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 55 coordinates: [ 0.121081560000000, 0.732503165000000, 0.750316140000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 56 coordinates: [ 0.621081560000000, 0.732503165000000, 0.750316140000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 57 coordinates: [ 0.378918440000000, 0.267496835000000, 0.249683860000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 58 coordinates: [ 0.878918440000000, 0.267496835000000, 0.249683860000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 59 coordinates: [ 0.378918440000000, 0.767496835000000, 0.249683860000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 60 coordinates: [ 0.878918440000000, 0.767496835000000, 0.249683860000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 61 coordinates: [ 0.121081560000000, 0.017496835000000, 0.250316140000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 62 coordinates: [ 0.621081560000000, 0.017496835000000, 0.250316140000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 63 coordinates: [ 0.121081560000000, 0.517496835000000, 0.250316140000000 ] mass: 87.620000 reduced_to: 61 - symbol: Sr # 64 coordinates: [ 0.621081560000000, 0.517496835000000, 0.250316140000000 ] mass: 87.620000 reduced_to: 61 - symbol: Tm # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 65 - symbol: Tm # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 65 - symbol: Tm # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 65 - symbol: Tm # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 65 - symbol: Tm # 69 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 69 - symbol: Tm # 70 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 69 - symbol: Tm # 71 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 69 - symbol: Tm # 72 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 69 - symbol: Ta # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 73 - symbol: Ta # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 73 - symbol: Ta # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 73 - symbol: Ta # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 73 - symbol: Ta # 77 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 77 - symbol: Ta # 78 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 77 - symbol: Ta # 79 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 77 - symbol: Ta # 80 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 77born_effective_charge:- # 1 (O) - [ -1.977705460000000, 0.028463460000000, -0.302800490000000 ] - [ 0.082233450000000, -1.757020980000000, -0.093479760000000 ] - [ -0.273136470000000, -0.090456220000000, -4.342819220000000 ]- # 2 (O) - [ -1.977705460000000, -0.028463460000000, -0.302800490000000 ] - [ -0.082233450000000, -1.757020980000001, 0.093479760000000 ] - [ -0.273136470000000, 0.090456220000000, -4.342819220000000 ]- # 3 (O) - [ -1.977705460000000, 0.028463460000000, -0.302800490000000 ] - [ 0.082233450000000, -1.757020980000001, -0.093479760000000 ] - [ -0.273136470000000, -0.090456220000000, -4.342819220000000 ]- # 4 (O) - [ -1.977705460000000, -0.028463460000000, -0.302800490000000 ] - [ -0.082233450000000, -1.757020980000001, 0.093479760000000 ] - [ -0.273136470000000, 0.090456220000000, -4.342819220000000 ]- # 5 (O) - [ -2.891991550000000, -1.214287320000000, 0.142079370000000 ] - [ -1.274026390000000, -3.351248180000000, 0.232996490000000 ] - [ 0.172340000000000, 0.251922610000000, -1.848944350000000 ]- # 6 (O) - [ -2.891991550000000, 1.214287320000000, 0.142079370000000 ] - [ 1.274026390000000, -3.351248180000001, -0.232996490000000 ] - [ 0.172340000000000, -0.251922610000000, -1.848944350000000 ]- # 7 (O) - [ -2.891991550000000, -1.214287320000000, 0.142079370000000 ] - [ -1.274026390000000, -3.351248180000001, 0.232996490000000 ] - [ 0.172340000000000, 0.251922610000000, -1.848944350000000 ]- # 8 (O) - [ -2.891991550000000, 1.214287320000000, 0.142079370000000 ] - [ 1.274026390000000, -3.351248180000001, -0.232996490000000 ] - [ 0.172340000000000, -0.251922610000000, -1.848944350000000 ]- # 9 (O) - [ -3.267358950000000, -1.245180590000000, 0.139900830000000 ] - [ -1.235774870000000, -2.967052070000000, 0.077829580000000 ] - [ 0.174937320000000, 0.063514060000000, -1.837533570000000 ]- # 10 (O) - [ -3.267358950000000, 1.245180590000000, 0.139900830000000 ] - [ 1.235774870000000, -2.967052070000000, -0.077829580000000 ] - [ 0.174937320000000, -0.063514060000000, -1.837533570000000 ]- # 11 (O) - [ -3.267358950000000, -1.245180590000000, 0.139900830000000 ] - [ -1.235774870000000, -2.967052070000000, 0.077829580000000 ] - [ 0.174937320000000, 0.063514060000000, -1.837533570000000 ]- # 12 (O) - [ -3.267358950000000, 1.245180590000000, 0.139900830000000 ] - [ 1.235774870000000, -2.967052070000000, -0.077829580000000 ] - [ 0.174937320000000, -0.063514060000000, -1.837533570000000 ]- # 13 (Sr) - [ 2.560572590000000, 0.126191470000000, -0.054752270000000 ] - [ 0.139665100000000, 2.490902350000000, -0.035194430000000 ] - [ 0.029127420000000, -0.073255870000000, 2.451135990000000 ]- # 14 (Sr) - [ 2.560572590000000, -0.126191470000000, -0.054752270000000 ] - [ -0.139665100000000, 2.490902350000000, 0.035194430000000 ] - [ 0.029127420000000, 0.073255870000000, 2.451135990000000 ]- # 15 (Sr) - [ 2.560572590000000, -0.126191470000000, -0.054752270000000 ] - [ -0.139665100000000, 2.490902350000000, 0.035194430000000 ] - [ 0.029127420000000, 0.073255870000000, 2.451135990000000 ]- # 16 (Sr) - [ 2.560572590000000, 0.126191470000000, -0.054752270000000 ] - [ 0.139665100000000, 2.490902350000000, -0.035194430000000 ] - [ 0.029127420000000, -0.073255870000000, 2.451135990000000 ]- # 17 (Tm) - [ 4.540301000000000, -0.309349710000000, 0.475185510000000 ] - [ 0.213436080000000, 4.561471420000000, 0.064858360000000 ] - [ -0.351707830000000, 0.148891250000000, 4.543319840000000 ]- # 18 (Tm) - [ 4.540301000000000, 0.309349710000000, 0.475185510000000 ] - [ -0.213436080000000, 4.561471420000000, -0.064858360000000 ] - [ -0.351707830000000, -0.148891250000000, 4.543319840000000 ]- # 19 (Ta) - [ 6.612665760000000, 0.236370790000000, -0.324040400000000 ] - [ -0.042012860000000, 6.607366330000001, 0.096322820000000 ] - [ 0.145171290000000, 0.111991610000000, 6.613002450000001 ]- # 20 (Ta) - [ 6.612665760000000, -0.236370790000000, -0.324040400000000 ] - [ 0.042012860000000, 6.607366330000001, -0.096322820000000 ] - [ 0.145171290000000, -0.111991610000000, 6.613002450000002 ]dielectric_constant: - 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