# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/deff726c-c91f-493f-81c1-26e008bf16d3/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 BN / P6_3/mmc (194) / materials id 629015](https://mdr.nims.go.jp/datasets/125a9190-3ac4-42b5-8f4e-1f476ddccae4)

## 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: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     2.505312550000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.252656270000000,     2.169664310000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.017398200000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000  - symbol: N  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 14.006700  reciprocal_lattice: # without 2pi  - [     0.399151794453750,     0.230450395344449,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.460900792528592,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.142502957862645 ] # c*unit_cell:  lattice:  - [     2.505312550000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.252656270000000,     2.169664310000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.017398200000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 4supercell:  lattice:  - [    10.021250200000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.010625080000000,     8.678657240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.034796399999999 ] # c  points:  - symbol: B  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.250000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 7    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 10    coordinates: [  0.250000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 12    coordinates: [  0.750000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.250000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 15    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 18    coordinates: [  0.250000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 19    coordinates: [  0.500000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 20    coordinates: [  0.750000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 21    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 22    coordinates: [  0.250000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 24    coordinates: [  0.750000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 26    coordinates: [  0.250000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 29    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 30    coordinates: [  0.250000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 31    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 50    coordinates: [  0.250000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 54    coordinates: [  0.250000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 58    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 61    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 62    coordinates: [  0.250000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 63    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: B  # 64    coordinates: [  0.750000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 33  - symbol: N  # 65    coordinates: [  0.166666667500000,  0.083333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 66    coordinates: [  0.416666667500000,  0.083333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 67    coordinates: [  0.666666667500000,  0.083333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 68    coordinates: [  0.916666667500000,  0.083333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 69    coordinates: [  0.166666667500000,  0.333333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 70    coordinates: [  0.416666667500000,  0.333333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 71    coordinates: [  0.666666667500000,  0.333333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 72    coordinates: [  0.916666667500000,  0.333333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 73    coordinates: [  0.166666667500000,  0.583333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 74    coordinates: [  0.416666667500000,  0.583333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 75    coordinates: [  0.666666667500000,  0.583333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 76    coordinates: [  0.916666667500000,  0.583333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 77    coordinates: [  0.166666667500000,  0.833333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 78    coordinates: [  0.416666667500000,  0.833333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 79    coordinates: [  0.666666667500000,  0.833333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 80    coordinates: [  0.916666667500000,  0.833333332500000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 81    coordinates: [  0.166666667500000,  0.083333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 82    coordinates: [  0.416666667500000,  0.083333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 83    coordinates: [  0.666666667500000,  0.083333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 84    coordinates: [  0.916666667500000,  0.083333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 85    coordinates: [  0.166666667500000,  0.333333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 86    coordinates: [  0.416666667500000,  0.333333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 87    coordinates: [  0.666666667500000,  0.333333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 88    coordinates: [  0.916666667500000,  0.333333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 89    coordinates: [  0.166666667500000,  0.583333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 90    coordinates: [  0.416666667500000,  0.583333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 91    coordinates: [  0.666666667500000,  0.583333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 92    coordinates: [  0.916666667500000,  0.583333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 93    coordinates: [  0.166666667500000,  0.833333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 94    coordinates: [  0.416666667500000,  0.833333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 95    coordinates: [  0.666666667500000,  0.833333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 96    coordinates: [  0.916666667500000,  0.833333332500000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 97    coordinates: [  0.083333332500000,  0.166666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 98    coordinates: [  0.333333332500000,  0.166666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 99    coordinates: [  0.583333332500000,  0.166666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 100    coordinates: [  0.833333332500000,  0.166666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 101    coordinates: [  0.083333332500000,  0.416666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 102    coordinates: [  0.333333332500000,  0.416666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 103    coordinates: [  0.583333332500000,  0.416666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 104    coordinates: [  0.833333332500000,  0.416666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 105    coordinates: [  0.083333332500000,  0.666666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 106    coordinates: [  0.333333332500000,  0.666666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 107    coordinates: [  0.583333332500000,  0.666666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 108    coordinates: [  0.833333332500000,  0.666666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 109    coordinates: [  0.083333332500000,  0.916666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 110    coordinates: [  0.333333332500000,  0.916666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 111    coordinates: [  0.583333332500000,  0.916666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 112    coordinates: [  0.833333332500000,  0.916666667500000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 113    coordinates: [  0.083333332500000,  0.166666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 114    coordinates: [  0.333333332500000,  0.166666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 115    coordinates: [  0.583333332500000,  0.166666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 116    coordinates: [  0.833333332500000,  0.166666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 117    coordinates: [  0.083333332500000,  0.416666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 118    coordinates: [  0.333333332500000,  0.416666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 119    coordinates: [  0.583333332500000,  0.416666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 120    coordinates: [  0.833333332500000,  0.416666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 121    coordinates: [  0.083333332500000,  0.666666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 122    coordinates: [  0.333333332500000,  0.666666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 123    coordinates: [  0.583333332500000,  0.666666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 124    coordinates: [  0.833333332500000,  0.666666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 125    coordinates: [  0.083333332500000,  0.916666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 126    coordinates: [  0.333333332500000,  0.916666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 127    coordinates: [  0.583333332500000,  0.916666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97  - symbol: N  # 128    coordinates: [  0.833333332500000,  0.916666667500000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 97born_effective_charge:- # 1 (B)  - [  2.708689850000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.708689850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.607487440000000 ]- # 2 (B)  - [  2.708689850000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.708689850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.607487440000000 ]- # 3 (N)  - [ -2.708689850000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.708689850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.607487440000000 ]- # 4 (N)  - 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