# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a6a4f925-184f-43b6-9234-f480c08c0e5f/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 InI / Cmcm (63) / materials id 23202](https://mdr.nims.go.jp/datasets/fd315ccf-29ad-4a92-84ca-db98a73f2951)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     2.358439235000000,    -6.235733160000000,     0.000000000000000 ] # a  - [     2.358439235000000,     6.235733160000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.672353650000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.901980110000000,  0.098019890000000,  0.250000000000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.098019890000000,  0.901980110000000,  0.750000000000000 ]    mass: 114.818000  - symbol: I  # 3    coordinates: [  0.644580640000000,  0.355419360000000,  0.250000000000000 ]    mass: 126.904470  - symbol: I  # 4    coordinates: [  0.355419360000000,  0.644580640000000,  0.750000000000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.212004614144744,    -0.080183033361229,     0.000000000000000 ] # a*  - [     0.212004614144744,     0.080183033361229,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.214024895140375 ] # c*unit_cell:  lattice:  - [     4.716878470000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.471466319999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.672353650000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.500000000000000,  0.598019890000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.000000000000000,  0.901980110000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.000000000000000,  0.098019890000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.500000000000000,  0.401980110000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 2  - symbol: I  # 5    coordinates: [  0.500000000000000,  0.855419360000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 6    coordinates: [  0.000000000000000,  0.644580640000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 6  - symbol: I  # 7    coordinates: [  0.000000000000000,  0.355419360000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 8    coordinates: [  0.500000000000000,  0.144580640000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 6supercell:  lattice:  - [    14.150635410000000,     0.000000000000000,     0.000000000000000 ] # a  - 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