# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/40599276-a771-4120-9953-12c9077f1150/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 Sr3As4 / Fdd2 (43) / materials id 15339](https://mdr.nims.go.jp/datasets/d5f91c3c-7c81-4526-8864-748779d14de1)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Fdd2"  number: 43  Hall_symbol: "F 2 -2d"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     8.872670285000000,     2.969093090000000 ] # a  - [     7.365874775000000,     0.000000000000000,     2.969093090000000 ] # b  - [     7.365874775000000,     8.872670285000000,     0.000000000000000 ] # c  points:  - symbol: As # 1    coordinates: [  0.586064710000000,  0.408780870000000,  0.919064110000000 ]    mass: 74.921600  - symbol: As # 2    coordinates: [  0.408780870000000,  0.586064710000000,  0.086090310000000 ]    mass: 74.921600  - symbol: As # 3    coordinates: [  0.163909690000000,  0.330935890000000,  0.841219130000000 ]    mass: 74.921600  - symbol: As # 4    coordinates: [  0.330935890000000,  0.163909690000000,  0.663935290000000 ]    mass: 74.921600  - symbol: As # 5    coordinates: [  0.682750810000000,  0.852976650000000,  0.977772310000000 ]    mass: 74.921600  - symbol: As # 6    coordinates: [  0.852976650000000,  0.682750810000000,  0.486500230000000 ]    mass: 74.921600  - symbol: As # 7    coordinates: [  0.272227690000000,  0.763499770000000,  0.567249190000000 ]    mass: 74.921600  - symbol: As # 8    coordinates: [  0.763499770000000,  0.272227690000000,  0.397023350000000 ]    mass: 74.921600  - symbol: Sr # 9    coordinates: [  0.445431400000000,  0.106816160000000,  0.888848080000000 ]    mass: 87.620000  - symbol: Sr # 10    coordinates: [  0.106816160000000,  0.445431400000000,  0.558904360000000 ]    mass: 87.620000  - symbol: Sr # 11    coordinates: [  0.691095640000000,  0.361151920000000,  0.143183840000000 ]    mass: 87.620000  - symbol: Sr # 12    coordinates: [  0.361151920000000,  0.691095640000000,  0.804568600000000 ]    mass: 87.620000  - symbol: Sr # 13    coordinates: [  0.997979400000000,  0.997979400000000,  0.502020600000000 ]    mass: 87.620000  - symbol: Sr # 14    coordinates: [  0.747979400000000,  0.747979400000000,  0.252020600000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [    -0.067880600101568,     0.056352820959130,     0.168401590938329 ] # a*  - [     0.067880600101568,    -0.056352820959130,     0.168401590938329 ] # b*  - [     0.067880600101568,     0.056352820959130,    -0.168401590938329 ] # c*unit_cell:  lattice:  - [    14.731749550000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.745340570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.938186180000000 ] # c  points:  - symbol: As # 1    coordinates: [  0.163922490000000,  0.252564410000000,  0.497422790000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 2    coordinates: [  0.336077510000000,  0.247435590000000,  0.497422790000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 3    coordinates: [  0.086077510000000,  0.002564410000000,  0.247422790000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 4    coordinates: [  0.413922490000000,  0.497435590000000,  0.247422790000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 5    coordinates: [  0.415374480000000,  0.330261560000000,  0.767863730000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 6    coordinates: [  0.084625520000000,  0.169738440000000,  0.767863730000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 7    coordinates: [  0.165374480000000,  0.419738440000000,  0.017863730000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 8    coordinates: [  0.334625520000000,  0.080261560000000,  0.017863730000000 ]    mass: 74.921600    reduced_to: 8  - symbol: As # 9    coordinates: [  0.163922490000000,  0.752564410000000,  0.997422790000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 10    coordinates: [  0.336077510000000,  0.747435590000000,  0.997422790000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 11    coordinates: [  0.086077510000000,  0.502564410000000,  0.747422790000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 12    coordinates: [  0.413922490000000,  0.997435590000000,  0.747422790000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 13    coordinates: [  0.415374480000000,  0.830261560000000,  0.267863730000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 14    coordinates: [  0.084625520000000,  0.669738440000000,  0.267863730000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 15    coordinates: [  0.165374480000000,  0.919738440000000,  0.517863730000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 16    coordinates: [  0.334625520000000,  0.580261560000000,  0.517863730000000 ]    mass: 74.921600    reduced_to: 8  - symbol: As # 17    coordinates: [  0.663922490000000,  0.252564410000000,  0.997422790000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 18    coordinates: [  0.836077510000000,  0.247435590000000,  0.997422790000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 19    coordinates: [  0.586077510000000,  0.002564410000000,  0.747422790000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 20    coordinates: [  0.913922490000000,  0.497435590000000,  0.747422790000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 21    coordinates: [  0.915374480000000,  0.330261560000000,  0.267863730000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 22    coordinates: [  0.584625520000000,  0.169738440000000,  0.267863730000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 23    coordinates: [  0.665374480000000,  0.419738440000000,  0.517863730000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 24    coordinates: [  0.834625520000000,  0.080261560000000,  0.517863730000000 ]    mass: 74.921600    reduced_to: 8  - symbol: As # 25    coordinates: [  0.663922490000000,  0.752564410000000,  0.497422790000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 26    coordinates: [  0.836077510000000,  0.747435590000000,  0.497422790000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 27    coordinates: [  0.586077510000000,  0.502564410000000,  0.247422790000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 28    coordinates: [  0.913922490000000,  0.997435590000000,  0.247422790000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 29    coordinates: [  0.915374480000000,  0.830261560000000,  0.767863730000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 30    coordinates: [  0.584625520000000,  0.669738440000000,  0.767863730000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 31    coordinates: [  0.665374480000000,  0.919738440000000,  0.017863730000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 32    coordinates: [  0.834625520000000,  0.580261560000000,  0.017863730000000 ]    mass: 74.921600    reduced_to: 8  - symbol: Sr # 33    coordinates: [  0.497832120000000,  0.167139740000000,  0.776123780000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 34    coordinates: [  0.002167880000000,  0.332860260000000,  0.776123780000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 35    coordinates: [  0.252167880000000,  0.417139740000000,  0.526123780000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 36    coordinates: [  0.247832120000000,  0.082860260000000,  0.526123780000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 37    coordinates: [  0.250000000000000,  0.250000000000000,  0.997979400000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.000000000000000,  0.500000000000000,  0.247979400000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.497832120000000,  0.667139740000000,  0.276123780000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 40    coordinates: [  0.002167880000000,  0.832860260000000,  0.276123780000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 41    coordinates: [  0.252167880000000,  0.917139740000000,  0.026123780000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 42    coordinates: [  0.247832120000000,  0.582860260000000,  0.026123780000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 43    coordinates: [  0.250000000000000,  0.750000000000000,  0.497979400000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.000000000000000,  0.000000000000000,  0.747979400000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 45    coordinates: [  0.997832120000000,  0.167139740000000,  0.276123780000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 46    coordinates: [  0.502167880000000,  0.332860260000000,  0.276123780000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 47    coordinates: [  0.752167880000000,  0.417139740000000,  0.026123780000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 48    coordinates: [  0.747832120000000,  0.082860260000000,  0.026123780000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 49    coordinates: [  0.750000000000000,  0.250000000000000,  0.497979400000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.747979400000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 51    coordinates: [  0.997832120000000,  0.667139740000000,  0.776123780000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 52    coordinates: [  0.502167880000000,  0.832860260000000,  0.776123780000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 53    coordinates: [  0.752167880000000,  0.917139740000000,  0.526123780000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 54    coordinates: [  0.747832120000000,  0.582860260000000,  0.526123780000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 55    coordinates: [  0.750000000000000,  0.750000000000000,  0.997979400000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 56    coordinates: [  0.500000000000000,  0.000000000000000,  0.247979400000000 ]    mass: 87.620000    reduced_to: 38supercell:  lattice:  - [    14.731749550000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.745340570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.876372360000000 ] # c  points:  - symbol: As # 1    coordinates: [  0.163922490000000,  0.252564410000000,  0.248711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 2    coordinates: [  0.163922490000000,  0.252564410000000,  0.748711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 3    coordinates: [  0.336077510000000,  0.247435590000000,  0.248711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 4    coordinates: [  0.336077510000000,  0.247435590000000,  0.748711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 5    coordinates: [  0.086077510000000,  0.002564410000000,  0.123711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 6    coordinates: [  0.086077510000000,  0.002564410000000,  0.623711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 7    coordinates: [  0.413922490000000,  0.497435590000000,  0.123711395000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 8    coordinates: [  0.413922490000000,  0.497435590000000,  0.623711395000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 9    coordinates: [  0.415374480000000,  0.330261560000000,  0.383931865000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 10    coordinates: [  0.415374480000000,  0.330261560000000,  0.883931865000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 11    coordinates: [  0.084625520000000,  0.169738440000000,  0.383931865000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 12    coordinates: [  0.084625520000000,  0.169738440000000,  0.883931865000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 13    coordinates: [  0.165374480000000,  0.419738440000000,  0.008931865000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 14    coordinates: [  0.165374480000000,  0.419738440000000,  0.508931865000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 15    coordinates: [  0.334625520000000,  0.080261560000000,  0.008931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 16    coordinates: [  0.334625520000000,  0.080261560000000,  0.508931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 17    coordinates: [  0.163922490000000,  0.752564410000000,  0.498711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 18    coordinates: [  0.163922490000000,  0.752564410000000,  0.998711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 19    coordinates: [  0.336077510000000,  0.747435590000000,  0.498711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 20    coordinates: [  0.336077510000000,  0.747435590000000,  0.998711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 21    coordinates: [  0.086077510000000,  0.502564410000000,  0.373711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 22    coordinates: [  0.086077510000000,  0.502564410000000,  0.873711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 23    coordinates: [  0.413922490000000,  0.997435590000000,  0.373711395000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 24    coordinates: [  0.413922490000000,  0.997435590000000,  0.873711395000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 25    coordinates: [  0.415374480000000,  0.830261560000000,  0.133931865000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 26    coordinates: [  0.415374480000000,  0.830261560000000,  0.633931865000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 27    coordinates: [  0.084625520000000,  0.669738440000000,  0.133931865000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 28    coordinates: [  0.084625520000000,  0.669738440000000,  0.633931865000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 29    coordinates: [  0.165374480000000,  0.919738440000000,  0.258931865000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 30    coordinates: [  0.165374480000000,  0.919738440000000,  0.758931865000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 31    coordinates: [  0.334625520000000,  0.580261560000000,  0.258931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 32    coordinates: [  0.334625520000000,  0.580261560000000,  0.758931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 33    coordinates: [  0.663922490000000,  0.252564410000000,  0.498711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 34    coordinates: [  0.663922490000000,  0.252564410000000,  0.998711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 35    coordinates: [  0.836077510000000,  0.247435590000000,  0.498711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 36    coordinates: [  0.836077510000000,  0.247435590000000,  0.998711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 37    coordinates: [  0.586077510000000,  0.002564410000000,  0.373711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 38    coordinates: [  0.586077510000000,  0.002564410000000,  0.873711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 39    coordinates: [  0.913922490000000,  0.497435590000000,  0.373711395000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 40    coordinates: [  0.913922490000000,  0.497435590000000,  0.873711395000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 41    coordinates: [  0.915374480000000,  0.330261560000000,  0.133931865000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 42    coordinates: [  0.915374480000000,  0.330261560000000,  0.633931865000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 43    coordinates: [  0.584625520000000,  0.169738440000000,  0.133931865000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 44    coordinates: [  0.584625520000000,  0.169738440000000,  0.633931865000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 45    coordinates: [  0.665374480000000,  0.419738440000000,  0.258931865000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 46    coordinates: [  0.665374480000000,  0.419738440000000,  0.758931865000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 47    coordinates: [  0.834625520000000,  0.080261560000000,  0.258931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 48    coordinates: [  0.834625520000000,  0.080261560000000,  0.758931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 49    coordinates: [  0.663922490000000,  0.752564410000000,  0.248711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 50    coordinates: [  0.663922490000000,  0.752564410000000,  0.748711395000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 51    coordinates: [  0.836077510000000,  0.747435590000000,  0.248711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 52    coordinates: [  0.836077510000000,  0.747435590000000,  0.748711395000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 53    coordinates: [  0.586077510000000,  0.502564410000000,  0.123711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 54    coordinates: [  0.586077510000000,  0.502564410000000,  0.623711395000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 55    coordinates: [  0.913922490000000,  0.997435590000000,  0.123711395000000 ]    mass: 74.921600    reduced_to: 7  - 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symbol: As # 64    coordinates: [  0.834625520000000,  0.580261560000000,  0.508931865000000 ]    mass: 74.921600    reduced_to: 15  - symbol: Sr # 65    coordinates: [  0.497832120000000,  0.167139740000000,  0.388061890000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 66    coordinates: [  0.497832120000000,  0.167139740000000,  0.888061890000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 67    coordinates: [  0.002167880000000,  0.332860260000000,  0.388061890000000 ]    mass: 87.620000    reduced_to: 67  - symbol: Sr # 68    coordinates: [  0.002167880000000,  0.332860260000000,  0.888061890000000 ]    mass: 87.620000    reduced_to: 67  - symbol: Sr # 69    coordinates: [  0.252167880000000,  0.417139740000000,  0.263061890000000 ]    mass: 87.620000    reduced_to: 69  - symbol: Sr # 70    coordinates: [  0.252167880000000,  0.417139740000000,  0.763061890000000 ]    mass: 87.620000    reduced_to: 69  - symbol: Sr # 71    coordinates: [  0.247832120000000,  0.082860260000000,  0.263061890000000 ]    mass: 87.620000    reduced_to: 71  - 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