# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/454b9d04-d8f6-4f62-b96a-0c081ab21093/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 YWN3 / Cmcm (63) / materials id 989609](https://mdr.nims.go.jp/datasets/1ea0310b-4d42-4f08-9c23-6f82fb3682f8)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     1.718523290000000,    -6.504654105000000,     0.000000000000000 ] # a  - [     1.718523290000000,     6.504654105000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.980193930000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.186147400000000,  0.813852600000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.813852600000000,  0.186147400000000,  0.750000000000000 ]    mass: 88.905850  - symbol: W  # 3    coordinates: [  0.568653310000000,  0.431346690000000,  0.750000000000000 ]    mass: 183.840000  - symbol: W  # 4    coordinates: [  0.431346690000000,  0.568653310000000,  0.250000000000000 ]    mass: 183.840000  - symbol: N  # 5    coordinates: [  0.659609930000000,  0.340390070000000,  0.983205330000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.340390070000000,  0.659609930000000,  0.483205330000000 ]    mass: 14.006700  - symbol: N  # 7    coordinates: [  0.001103950000000,  0.998896050000000,  0.750000000000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.340390070000000,  0.659609930000000,  0.016794670000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.659609930000000,  0.340390070000000,  0.516794670000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.998896050000000,  0.001103950000000,  0.250000000000000 ]    mass: 14.006700  reciprocal_lattice: # without 2pi  - [     0.290947468043916,    -0.076868038166036,     0.000000000000000 ] # a*  - [     0.290947468043916,     0.076868038166036,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.167218657405647 ] # c*unit_cell:  lattice:  - [     3.437046580000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.009308210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.980193930000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.813852600000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.500000000000000,  0.686147400000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.313852600000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.186147400000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: W  # 5    coordinates: [  0.500000000000000,  0.931346690000000,  0.750000000000000 ]    mass: 183.840000    reduced_to: 5  - symbol: W  # 6    coordinates: [  0.000000000000000,  0.568653310000000,  0.250000000000000 ]    mass: 183.840000    reduced_to: 6  - symbol: W  # 7    coordinates: [  0.000000000000000,  0.431346690000000,  0.750000000000000 ]    mass: 183.840000    reduced_to: 5  - symbol: W  # 8    coordinates: [  0.500000000000000,  0.068653310000000,  0.250000000000000 ]    mass: 183.840000    reduced_to: 6  - symbol: N  # 9    coordinates: [  0.500000000000000,  0.840390070000000,  0.983205330000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.000000000000000,  0.659609930000000,  0.483205330000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.000000000000000,  0.998896050000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.000000000000000,  0.659609930000000,  0.016794670000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.500000000000000,  0.840390070000000,  0.516794670000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.500000000000000,  0.501103950000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.000000000000000,  0.340390070000000,  0.983205330000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 16    coordinates: [  0.500000000000000,  0.159609930000000,  0.483205330000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 17    coordinates: [  0.500000000000000,  0.498896050000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 18    coordinates: [  0.500000000000000,  0.159609930000000,  0.016794670000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 19    coordinates: [  0.000000000000000,  0.340390070000000,  0.516794670000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 20    coordinates: [  0.000000000000000,  0.001103950000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 14supercell:  lattice:  - [    10.311139740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.009308210000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.960387860000001 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.813852600000000,  0.125000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.333333333333333,  0.813852600000000,  0.125000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.666666666666667,  0.813852600000000,  0.125000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.813852600000000,  0.625000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 5    coordinates: [  0.333333333333333,  0.813852600000000,  0.625000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 6    coordinates: [  0.666666666666667,  0.813852600000000,  0.625000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 7    coordinates: [  0.166666666666667,  0.686147400000000,  0.375000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.500000000000000,  0.686147400000000,  0.375000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 9    coordinates: [  0.833333333333333,  0.686147400000000,  0.375000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 10    coordinates: [  0.166666666666667,  0.686147400000000,  0.875000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 11    coordinates: [  0.500000000000000,  0.686147400000000,  0.875000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 12    coordinates: [  0.833333333333333,  0.686147400000000,  0.875000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 13    coordinates: [  0.166666666666667,  0.313852600000000,  0.125000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 14    coordinates: [  0.500000000000000,  0.313852600000000,  0.125000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 15    coordinates: [  0.833333333333333,  0.313852600000000,  0.125000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 16    coordinates: [  0.166666666666667,  0.313852600000000,  0.625000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 17    coordinates: [  0.500000000000000,  0.313852600000000,  0.625000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 18    coordinates: [  0.833333333333333,  0.313852600000000,  0.625000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 19    coordinates: [  0.000000000000000,  0.186147400000000,  0.375000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 20    coordinates: [  0.333333333333333,  0.186147400000000,  0.375000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 21    coordinates: [  0.666666666666667,  0.186147400000000,  0.375000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 22    coordinates: [  0.000000000000000,  0.186147400000000,  0.875000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 23    coordinates: [  0.333333333333333,  0.186147400000000,  0.875000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 24    coordinates: [  0.666666666666667,  0.186147400000000,  0.875000000000000 ]    mass: 88.905850    reduced_to: 7  - symbol: W  # 25    coordinates: [  0.166666666666667,  0.931346690000000,  0.375000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 26    coordinates: [  0.500000000000000,  0.931346690000000,  0.375000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 27    coordinates: [  0.833333333333333,  0.931346690000000,  0.375000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 28    coordinates: [  0.166666666666667,  0.931346690000000,  0.875000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 29    coordinates: [  0.500000000000000,  0.931346690000000,  0.875000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 30    coordinates: [  0.833333333333333,  0.931346690000000,  0.875000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 31    coordinates: [  0.000000000000000,  0.568653310000000,  0.125000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 32    coordinates: [  0.333333333333333,  0.568653310000000,  0.125000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 33    coordinates: [  0.666666666666667,  0.568653310000000,  0.125000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 34    coordinates: [  0.000000000000000,  0.568653310000000,  0.625000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 35    coordinates: [  0.333333333333333,  0.568653310000000,  0.625000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 36    coordinates: [  0.666666666666667,  0.568653310000000,  0.625000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 37    coordinates: [  0.000000000000000,  0.431346690000000,  0.375000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 38    coordinates: [  0.333333333333333,  0.431346690000000,  0.375000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 39    coordinates: [  0.666666666666667,  0.431346690000000,  0.375000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 40    coordinates: [  0.000000000000000,  0.431346690000000,  0.875000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 41    coordinates: [  0.333333333333333,  0.431346690000000,  0.875000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 42    coordinates: [  0.666666666666667,  0.431346690000000,  0.875000000000000 ]    mass: 183.840000    reduced_to: 25  - symbol: W  # 43    coordinates: [  0.166666666666667,  0.068653310000000,  0.125000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 44    coordinates: [  0.500000000000000,  0.068653310000000,  0.125000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 45    coordinates: [  0.833333333333333,  0.068653310000000,  0.125000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 46    coordinates: [  0.166666666666667,  0.068653310000000,  0.625000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 47    coordinates: [  0.500000000000000,  0.068653310000000,  0.625000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: W  # 48    coordinates: [  0.833333333333333,  0.068653310000000,  0.625000000000000 ]    mass: 183.840000    reduced_to: 31  - symbol: N  # 49    coordinates: [  0.166666666666667,  0.840390070000000,  0.491602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.500000000000000,  0.840390070000000,  0.491602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 51    coordinates: [  0.833333333333333,  0.840390070000000,  0.491602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 52    coordinates: [  0.166666666666667,  0.840390070000000,  0.991602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 53    coordinates: [  0.500000000000000,  0.840390070000000,  0.991602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 54    coordinates: [  0.833333333333333,  0.840390070000000,  0.991602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 55    coordinates: [  0.000000000000000,  0.659609930000000,  0.241602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 56    coordinates: [  0.333333333333333,  0.659609930000000,  0.241602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 57    coordinates: [  0.666666666666667,  0.659609930000000,  0.241602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 58    coordinates: [  0.000000000000000,  0.659609930000000,  0.741602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 59    coordinates: [  0.333333333333333,  0.659609930000000,  0.741602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 60    coordinates: [  0.666666666666667,  0.659609930000000,  0.741602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 61    coordinates: [  0.000000000000000,  0.998896050000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 62    coordinates: [  0.333333333333333,  0.998896050000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 63    coordinates: [  0.666666666666667,  0.998896050000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 64    coordinates: [  0.000000000000000,  0.998896050000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 65    coordinates: [  0.333333333333333,  0.998896050000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 66    coordinates: [  0.666666666666667,  0.998896050000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 67    coordinates: [  0.000000000000000,  0.659609930000000,  0.008397335000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 68    coordinates: [  0.333333333333333,  0.659609930000000,  0.008397335000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 69    coordinates: [  0.666666666666667,  0.659609930000000,  0.008397335000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 70    coordinates: [  0.000000000000000,  0.659609930000000,  0.508397335000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 71    coordinates: [  0.333333333333333,  0.659609930000000,  0.508397335000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 72    coordinates: [  0.666666666666667,  0.659609930000000,  0.508397335000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 73    coordinates: [  0.166666666666667,  0.840390070000000,  0.258397335000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 74    coordinates: [  0.500000000000000,  0.840390070000000,  0.258397335000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 75    coordinates: [  0.833333333333333,  0.840390070000000,  0.258397335000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 76    coordinates: [  0.166666666666667,  0.840390070000000,  0.758397335000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 77    coordinates: [  0.500000000000000,  0.840390070000000,  0.758397335000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 78    coordinates: [  0.833333333333333,  0.840390070000000,  0.758397335000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 79    coordinates: [  0.166666666666667,  0.501103950000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 80    coordinates: [  0.500000000000000,  0.501103950000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 81    coordinates: [  0.833333333333333,  0.501103950000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 82    coordinates: [  0.166666666666667,  0.501103950000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 83    coordinates: [  0.500000000000000,  0.501103950000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 84    coordinates: [  0.833333333333333,  0.501103950000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 85    coordinates: [  0.000000000000000,  0.340390070000000,  0.491602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 86    coordinates: [  0.333333333333333,  0.340390070000000,  0.491602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 87    coordinates: [  0.666666666666667,  0.340390070000000,  0.491602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 88    coordinates: [  0.000000000000000,  0.340390070000000,  0.991602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 89    coordinates: [  0.333333333333333,  0.340390070000000,  0.991602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 90    coordinates: [  0.666666666666667,  0.340390070000000,  0.991602665000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 91    coordinates: [  0.166666666666667,  0.159609930000000,  0.241602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 92    coordinates: [  0.500000000000000,  0.159609930000000,  0.241602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 93    coordinates: [  0.833333333333333,  0.159609930000000,  0.241602665000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 94    coordinates: [  0.166666666666667,  0.159609930000000,  0.741602665000000 ]    mass: 14.006700    reduced_to: 55  - 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symbol: N  # 119    coordinates: [  0.333333333333333,  0.001103950000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 79  - symbol: N  # 120    coordinates: [  0.666666666666667,  0.001103950000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 79born_effective_charge:- # 1 (Y)  - [  3.584194740000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.421091050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.822783100000000 ]- # 2 (Y)  - [  3.584194740000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.421091050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.822783100000000 ]- # 3 (W)  - [  7.218489290000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.935858660000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.216759160000000 ]- # 4 (W)  - [  7.218489290000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.935858660000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.216759160000000 ]- # 5 (N)  - [ -1.904565970000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -2.489716480000000,  0.515398060000000 ]  - [  0.000000000000000,  1.808535850000000, -4.408003190000000 ]- # 6 (N)  - [ -1.904565970000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.489716480000000, -0.515398060000000 ]  - [ -0.000000000000000, -1.808535850000000, -4.408003190000000 ]- # 7 (N)  - [ -6.993552080000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.377516740000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.223535880000000 ]- # 8 (N)  - [ -1.904565970000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -2.489716480000000,  0.515398060000000 ]  - [  0.000000000000000,  1.808535850000000, -4.408003190000000 ]- # 9 (N)  - [ -1.904565970000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.489716480000000, -0.515398060000000 ]  - 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