# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9df816b3-590e-4886-932e-ae736050d7f5/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 CsTaN2 / I-42d (122) / materials id 34293](https://mdr.nims.go.jp/datasets/c3a37bf5-4210-49ef-8671-42ad62929747)

## 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: "I-42d"  number: 122  Hall_symbol: "I -4 2bw"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -3.080181210000000,     3.080181210000000,     4.396184480000000 ] # a  - [     3.080181210000000,    -3.080181210000000,     4.396184480000000 ] # b  - [     3.080181210000000,     3.080181210000000,    -4.396184480000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452  - symbol: N  # 3    coordinates: [  0.812432600000000,  0.125000000000000,  0.187432600000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.875000000000000,  0.062432600000000,  0.687432600000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.937567400000000,  0.625000000000000,  0.812567400000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.375000000000000,  0.187567400000000,  0.312567400000000 ]    mass: 14.006700  - symbol: Ta # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880  - symbol: Ta # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 180.947880  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.162328111858068,     0.113734990484294 ] # a*  - [     0.162328111858068,     0.000000000000000,     0.113734990484294 ] # b*  - [     0.162328111858068,     0.162328111858068,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     6.160362420000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.160362420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.792368959999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: N  # 5    coordinates: [  0.250000000000000,  0.937432600000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.437432600000000,  0.250000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.750000000000000,  0.062567400000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.562567400000000,  0.750000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.750000000000000,  0.437432600000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 10    coordinates: [  0.937432600000000,  0.750000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 11    coordinates: [  0.250000000000000,  0.562567400000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 12    coordinates: [  0.062567400000000,  0.250000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 8  - symbol: Ta # 13    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 13  - symbol: Ta # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 14  - symbol: Ta # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 13  - symbol: Ta # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 14supercell:  lattice:  - [    12.320724840000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.320724840000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.584737919999998 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 9    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 10    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 14    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 15    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 16    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 17    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 18    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 19    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 20    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 21    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 22    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 23    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 24    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 25    coordinates: [  0.250000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 26    coordinates: [  0.750000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 27    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 29    coordinates: [  0.250000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 30    coordinates: [  0.750000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 31    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: Cs # 32    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 132.905452    reduced_to: 9  - symbol: N  # 33    coordinates: [  0.125000000000000,  0.468716300000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.625000000000000,  0.468716300000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 35    coordinates: [  0.125000000000000,  0.968716300000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 36    coordinates: [  0.625000000000000,  0.968716300000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 37    coordinates: [  0.125000000000000,  0.468716300000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 38    coordinates: [  0.625000000000000,  0.468716300000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 39    coordinates: [  0.125000000000000,  0.968716300000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 40    coordinates: [  0.625000000000000,  0.968716300000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 41    coordinates: [  0.218716300000000,  0.125000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.718716300000000,  0.125000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 43    coordinates: [  0.218716300000000,  0.625000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 44    coordinates: [  0.718716300000000,  0.625000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 45    coordinates: [  0.218716300000000,  0.125000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 46    coordinates: [  0.718716300000000,  0.125000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 47    coordinates: [  0.218716300000000,  0.625000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 48    coordinates: [  0.718716300000000,  0.625000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 49    coordinates: [  0.375000000000000,  0.031283700000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.875000000000000,  0.031283700000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 51    coordinates: [  0.375000000000000,  0.531283700000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 52    coordinates: [  0.875000000000000,  0.531283700000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 53    coordinates: [  0.375000000000000,  0.031283700000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 54    coordinates: [  0.875000000000000,  0.031283700000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 55    coordinates: [  0.375000000000000,  0.531283700000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 56    coordinates: [  0.875000000000000,  0.531283700000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 57    coordinates: [  0.281283700000000,  0.375000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 58    coordinates: [  0.781283700000000,  0.375000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 59    coordinates: [  0.281283700000000,  0.875000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 60    coordinates: [  0.781283700000000,  0.875000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 61    coordinates: [  0.281283700000000,  0.375000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 62    coordinates: [  0.781283700000000,  0.375000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 63    coordinates: [  0.281283700000000,  0.875000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 64    coordinates: [  0.781283700000000,  0.875000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 65    coordinates: [  0.375000000000000,  0.218716300000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 66    coordinates: [  0.875000000000000,  0.218716300000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 67    coordinates: [  0.375000000000000,  0.718716300000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 68    coordinates: [  0.875000000000000,  0.718716300000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 69    coordinates: [  0.375000000000000,  0.218716300000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 70    coordinates: [  0.875000000000000,  0.218716300000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 71    coordinates: [  0.375000000000000,  0.718716300000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 72    coordinates: [  0.875000000000000,  0.718716300000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 73    coordinates: [  0.468716300000000,  0.375000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 74    coordinates: [  0.968716300000000,  0.375000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 75    coordinates: [  0.468716300000000,  0.875000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 76    coordinates: [  0.968716300000000,  0.875000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 77    coordinates: [  0.468716300000000,  0.375000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 78    coordinates: [  0.968716300000000,  0.375000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 79    coordinates: [  0.468716300000000,  0.875000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 80    coordinates: [  0.968716300000000,  0.875000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 81    coordinates: [  0.125000000000000,  0.281283700000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 82    coordinates: [  0.625000000000000,  0.281283700000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 83    coordinates: [  0.125000000000000,  0.781283700000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 84    coordinates: [  0.625000000000000,  0.781283700000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 85    coordinates: [  0.125000000000000,  0.281283700000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 86    coordinates: [  0.625000000000000,  0.281283700000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 87    coordinates: [  0.125000000000000,  0.781283700000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 88    coordinates: [  0.625000000000000,  0.781283700000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 89    coordinates: [  0.031283700000000,  0.125000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 90    coordinates: [  0.531283700000000,  0.125000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 91    coordinates: [  0.031283700000000,  0.625000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 92    coordinates: [  0.531283700000000,  0.625000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 93    coordinates: [  0.031283700000000,  0.125000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 94    coordinates: [  0.531283700000000,  0.125000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 95    coordinates: [  0.031283700000000,  0.625000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 96    coordinates: [  0.531283700000000,  0.625000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: Ta # 97    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 98    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 99    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 100    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 101    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 102    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 103    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 104    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 105    coordinates: [  0.250000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 106    coordinates: [  0.750000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 107    coordinates: [  0.250000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 108    coordinates: [  0.750000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 109    coordinates: [  0.250000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 110    coordinates: [  0.750000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 111    coordinates: [  0.250000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 112    coordinates: [  0.750000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 113    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 114    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 115    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 116    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 117    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 118    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 119    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 120    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 97  - symbol: Ta # 121    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 122    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 123    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 124    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 125    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 126    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 127    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 180.947880    reduced_to: 105  - symbol: Ta # 128    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 180.947880    reduced_to: 105born_effective_charge:- # 1 (Cs)  - [  1.444301110000000,  0.034089250000000,  0.000000000000000 ]  - [ -0.034089250000000,  1.444301110000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.334960360000000 ]- # 2 (Cs)  - [  1.444301110000000, -0.034089250000000,  0.000000000000000 ]  - [  0.034089250000000,  1.444301110000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.334960360000000 ]- # 3 (N)  - [ -6.046068390000000, -0.000000000000000,  3.538481910000001 ]  - [ -0.000000000000001, -1.305582120000000,  0.000000000000000 ]  - [  3.354846659999999,  0.000000000000000, -3.497998360000000 ]- # 4 (N)  - [ -1.305582120000000,  0.000000000000001, -0.000000000000001 ]  - [  0.000000000000000, -6.046068390000000,  3.538481910000001 ]  - [ -0.000000000000000,  3.354846659999999, -3.497998360000000 ]- # 5 (N)  - [ -6.046068390000000, -0.000000000000000, -3.538481910000001 ]  - [ -0.000000000000001, -1.305582120000000, -0.000000000000001 ]  - [ -3.354846659999999, -0.000000000000000, -3.497998360000000 ]- # 6 (N)  - [ -1.305582120000000,  0.000000000000001,  0.000000000000001 ]  - [  0.000000000000001, -6.046068390000000, -3.538481910000002 ]  - [  0.000000000000000, -3.354846659999999, -3.497998360000000 ]- # 7 (Ta)  - [  5.907349400000000, -0.895981230000000, -0.000000000000000 ]  - [  0.895981230000000,  5.907349400000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.661036360000000 ]- # 8 (Ta)  - [  5.907349400000000,  0.895981230000000,  0.000000000000000 ]  - [ -0.895981230000000,  5.907349400000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  5.661036360000000 ]dielectric_constant:  - [  6.854237190000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  6.854237190000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.360229180000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0206917200000000, -0.0000008000000000, -0.0000197200000000 ]  - [   0.0008619200000000,  0.0000500900000000, -0.0000002400000000 ]  - [  -0.0003505100000000, -0.0000499100000000, -0.0000000800000000 ]  - [   0.0002443800000000, -0.0000000400000000, -0.0000000400000000 ]  - [  -0.0000123600000000, -0.0000000400000000,  0.0000001500000000 ]  - [   0.0000201700000000,  0.0000007800000000,  0.0000002300000000 ]  - 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