# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/160a0df3-d823-46f1-bee8-3aff9bc3181e/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 La2TeO2 / I4/mmm (139) / materials id 4547](https://mdr.nims.go.jp/datasets/23066111-9156-45d9-a62a-ff9acd50cef6)

## 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: "I4/mmm"  number: 139  Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -2.041531725000000,     2.041531725000000,     6.473213905000000 ] # a  - [     2.041531725000000,    -2.041531725000000,     6.473213905000000 ] # b  - [     2.041531725000000,     2.041531725000000,    -6.473213905000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: Te # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 127.600000  - symbol: La # 4    coordinates: [  0.658066550000000,  0.658066550000000,  0.000000000000000 ]    mass: 138.905470  - symbol: La # 5    coordinates: [  0.341933450000000,  0.341933450000000,  0.000000000000000 ]    mass: 138.905470  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.244914146509283,     0.077241383853204 ] # a*  - [     0.244914146509283,     0.000000000000000,     0.077241383853204 ] # b*  - [     0.244914146509283,     0.244914146509283,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     4.083063450000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.083063450000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.946427809999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - 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symbol: La # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.841933450000000 ]    mass: 138.905470    reduced_to: 8supercell:  lattice:  - [    12.249190349999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.249190349999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.946427809999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.333333333333333,  0.166666666666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.666666666666667,  0.166666666666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.333333333333333,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - 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