# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b7751218-b0cb-47c9-a15a-30f76aadc5f8/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 GaP / P6_3mc (186) / materials id 8882](https://mdr.nims.go.jp/datasets/305e3c8a-e069-43e0-a5d6-f89899605b93)

## 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_3mc"  number: 186  Hall_symbol: "P 6c -2c"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.829268600000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.914634300000000,     3.316243880000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.310654640000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.873942100000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.373942100000000 ]    mass: 30.973762  - symbol: Ga # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.500057900000000 ]    mass: 69.723000  - symbol: Ga # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.000057900000000 ]    mass: 69.723000  reciprocal_lattice: # without 2pi  - [     0.261146475857034,     0.150772988384678,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.301545976769356,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.158462165503641 ] # c*unit_cell:  lattice:  - [     3.829268600000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.914634300000000,     3.316243880000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.310654640000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.873942100000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.373942100000000 ]    mass: 30.973762    reduced_to: 2  - symbol: Ga # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.500057900000000 ]    mass: 69.723000    reduced_to: 3  - symbol: Ga # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.000057900000000 ]    mass: 69.723000    reduced_to: 4supercell:  lattice:  - [    15.317074399999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.658537200000000,    13.264975520000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.621309280000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.166666667500000,  0.083333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.416666667500000,  0.083333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.666666667500000,  0.083333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 4    coordinates: [  0.916666667500000,  0.083333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 5    coordinates: [  0.166666667500000,  0.333333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 6    coordinates: [  0.416666667500000,  0.333333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 7    coordinates: [  0.666666667500000,  0.333333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 8    coordinates: [  0.916666667500000,  0.333333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 9    coordinates: [  0.166666667500000,  0.583333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 10    coordinates: [  0.416666667500000,  0.583333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 11    coordinates: [  0.666666667500000,  0.583333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 12    coordinates: [  0.916666667500000,  0.583333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 13    coordinates: [  0.166666667500000,  0.833333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 14    coordinates: [  0.416666667500000,  0.833333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 15    coordinates: [  0.666666667500000,  0.833333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 16    coordinates: [  0.916666667500000,  0.833333332500000,  0.436971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 17    coordinates: [  0.166666667500000,  0.083333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 18    coordinates: [  0.416666667500000,  0.083333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 19    coordinates: [  0.666666667500000,  0.083333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 20    coordinates: [  0.916666667500000,  0.083333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 21    coordinates: [  0.166666667500000,  0.333333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 22    coordinates: [  0.416666667500000,  0.333333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 23    coordinates: [  0.666666667500000,  0.333333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 24    coordinates: [  0.916666667500000,  0.333333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 25    coordinates: [  0.166666667500000,  0.583333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 26    coordinates: [  0.416666667500000,  0.583333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 27    coordinates: [  0.666666667500000,  0.583333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 28    coordinates: [  0.916666667500000,  0.583333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 29    coordinates: [  0.166666667500000,  0.833333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 30    coordinates: [  0.416666667500000,  0.833333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 31    coordinates: [  0.666666667500000,  0.833333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 32    coordinates: [  0.916666667500000,  0.833333332500000,  0.936971050000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 33    coordinates: [  0.083333332500000,  0.166666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 34    coordinates: [  0.333333332500000,  0.166666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 35    coordinates: [  0.583333332500000,  0.166666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 36    coordinates: [  0.833333332500000,  0.166666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 37    coordinates: [  0.083333332500000,  0.416666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 38    coordinates: [  0.333333332500000,  0.416666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 39    coordinates: [  0.583333332500000,  0.416666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 40    coordinates: [  0.833333332500000,  0.416666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 41    coordinates: [  0.083333332500000,  0.666666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 42    coordinates: [  0.333333332500000,  0.666666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 43    coordinates: [  0.583333332500000,  0.666666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 44    coordinates: [  0.833333332500000,  0.666666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 45    coordinates: [  0.083333332500000,  0.916666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 46    coordinates: [  0.333333332500000,  0.916666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 47    coordinates: [  0.583333332500000,  0.916666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 48    coordinates: [  0.833333332500000,  0.916666667500000,  0.186971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 49    coordinates: [  0.083333332500000,  0.166666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 50    coordinates: [  0.333333332500000,  0.166666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 51    coordinates: [  0.583333332500000,  0.166666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 52    coordinates: [  0.833333332500000,  0.166666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 53    coordinates: [  0.083333332500000,  0.416666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 54    coordinates: [  0.333333332500000,  0.416666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 55    coordinates: [  0.583333332500000,  0.416666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 56    coordinates: [  0.833333332500000,  0.416666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 57    coordinates: [  0.083333332500000,  0.666666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 58    coordinates: [  0.333333332500000,  0.666666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 59    coordinates: [  0.583333332500000,  0.666666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 60    coordinates: [  0.833333332500000,  0.666666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 61    coordinates: [  0.083333332500000,  0.916666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 62    coordinates: [  0.333333332500000,  0.916666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 63    coordinates: [  0.583333332500000,  0.916666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 64    coordinates: [  0.833333332500000,  0.916666667500000,  0.686971050000000 ]    mass: 30.973762    reduced_to: 33  - symbol: Ga # 65    coordinates: [  0.166666667500000,  0.083333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 66    coordinates: [  0.416666667500000,  0.083333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 67    coordinates: [  0.666666667500000,  0.083333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 68    coordinates: [  0.916666667500000,  0.083333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 69    coordinates: [  0.166666667500000,  0.333333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 70    coordinates: [  0.416666667500000,  0.333333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 71    coordinates: [  0.666666667500000,  0.333333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 72    coordinates: [  0.916666667500000,  0.333333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 73    coordinates: [  0.166666667500000,  0.583333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 74    coordinates: [  0.416666667500000,  0.583333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 75    coordinates: [  0.666666667500000,  0.583333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 76    coordinates: [  0.916666667500000,  0.583333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 77    coordinates: [  0.166666667500000,  0.833333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 78    coordinates: [  0.416666667500000,  0.833333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 79    coordinates: [  0.666666667500000,  0.833333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 80    coordinates: [  0.916666667500000,  0.833333332500000,  0.250028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 81    coordinates: [  0.166666667500000,  0.083333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 82    coordinates: [  0.416666667500000,  0.083333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 83    coordinates: [  0.666666667500000,  0.083333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 84    coordinates: [  0.916666667500000,  0.083333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 85    coordinates: [  0.166666667500000,  0.333333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 86    coordinates: [  0.416666667500000,  0.333333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 87    coordinates: [  0.666666667500000,  0.333333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 88    coordinates: [  0.916666667500000,  0.333333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 89    coordinates: [  0.166666667500000,  0.583333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 90    coordinates: [  0.416666667500000,  0.583333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 91    coordinates: [  0.666666667500000,  0.583333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 92    coordinates: [  0.916666667500000,  0.583333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 93    coordinates: [  0.166666667500000,  0.833333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 94    coordinates: [  0.416666667500000,  0.833333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 95    coordinates: [  0.666666667500000,  0.833333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 96    coordinates: [  0.916666667500000,  0.833333332500000,  0.750028950000000 ]    mass: 69.723000    reduced_to: 65  - symbol: Ga # 97    coordinates: [  0.083333332500000,  0.166666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 98    coordinates: [  0.333333332500000,  0.166666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 99    coordinates: [  0.583333332500000,  0.166666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 100    coordinates: [  0.833333332500000,  0.166666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 101    coordinates: [  0.083333332500000,  0.416666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 102    coordinates: [  0.333333332500000,  0.416666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 103    coordinates: [  0.583333332500000,  0.416666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 104    coordinates: [  0.833333332500000,  0.416666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 105    coordinates: [  0.083333332500000,  0.666666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 106    coordinates: [  0.333333332500000,  0.666666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 107    coordinates: [  0.583333332500000,  0.666666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 108    coordinates: [  0.833333332500000,  0.666666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 109    coordinates: [  0.083333332500000,  0.916666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 110    coordinates: [  0.333333332500000,  0.916666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 111    coordinates: [  0.583333332500000,  0.916666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 112    coordinates: [  0.833333332500000,  0.916666667500000,  0.000028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 113    coordinates: [  0.083333332500000,  0.166666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 114    coordinates: [  0.333333332500000,  0.166666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 115    coordinates: [  0.583333332500000,  0.166666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 116    coordinates: [  0.833333332500000,  0.166666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 117    coordinates: [  0.083333332500000,  0.416666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 118    coordinates: [  0.333333332500000,  0.416666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 119    coordinates: [  0.583333332500000,  0.416666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 120    coordinates: [  0.833333332500000,  0.416666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 121    coordinates: [  0.083333332500000,  0.666666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 122    coordinates: [  0.333333332500000,  0.666666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 123    coordinates: [  0.583333332500000,  0.666666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 124    coordinates: [  0.833333332500000,  0.666666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 125    coordinates: [  0.083333332500000,  0.916666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 126    coordinates: [  0.333333332500000,  0.916666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 127    coordinates: [  0.583333332500000,  0.916666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97  - symbol: Ga # 128    coordinates: [  0.833333332500000,  0.916666667500000,  0.500028950000000 ]    mass: 69.723000    reduced_to: 97born_effective_charge:- # 1 (P)  - [ -2.154141460000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.154141460000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.259212140000000 ]- # 2 (P)  - [ -2.154141460000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.154141460000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.259212140000000 ]- # 3 (Ga)  - [  2.154141460000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.154141460000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.259212140000000 ]- # 4 (Ga)  - 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