# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/02e63533-5569-4de3-b275-435d132e8a2a/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 YbRbF3 / Pm-3m (221) / materials id 6952](https://mdr.nims.go.jp/datasets/54a3aea4-27e4-4967-9f32-82ecb25cb4ed)

## 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: "Pm-3m"  number: 221  Hall_symbol: "-P 4 2 3"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     4.356867240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.356867240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.356867240000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Yb # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 173.054000  reciprocal_lattice: # without 2pi  - [     0.229522715500507,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.229522715500507,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.229522715500507 ] # c*unit_cell:  lattice:  - [     4.356867240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.356867240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.356867240000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Yb # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 173.054000    reduced_to: 5supercell:  lattice:  - [    13.070601719999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.070601719999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.070601719999999 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.333333333333333,  0.166666666666667,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.666666666666667,  0.166666666666667,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.333333333333333,  0.500000000000000,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.666666666666667,  0.500000000000000,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 7    coordinates: [  0.000000000000000,  0.833333333333333,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.333333333333333,  0.833333333333333,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 9    coordinates: [  0.666666666666667,  0.833333333333333,  0.166666666666667 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 10    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 11    coordinates: [  0.333333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - 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