# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7ccde3cc-9475-4fc1-9a40-572f531887db/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 InCl / Cmc2_1 (36) / materials id 571636](https://mdr.nims.go.jp/datasets/55a4481d-32c1-4b5f-b178-2ecbd7c31315)

## 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: "Cmc2_1"  number: 36  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:  - [     2.112412675000000,    -5.922552380000000,     0.000000000000000 ] # a  - [     2.112412675000000,     5.922552380000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.352868650000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.893316160000000,  0.106683840000000,  0.757906250000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.106683840000000,  0.893316160000000,  0.257906250000000 ]    mass: 114.818000  - symbol: Cl # 3    coordinates: [  0.654593470000000,  0.345406530000000,  0.758093750000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.345406530000000,  0.654593470000000,  0.258093750000000 ]    mass: 35.453000  reciprocal_lattice: # without 2pi  - [     0.236696174908153,    -0.084423060856070,     0.000000000000000 ] # a*  - [     0.236696174908153,     0.084423060856070,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.229733557432292 ] # c*unit_cell:  lattice:  - [     4.224825350000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.845104760000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.352868650000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.000000000000000,  0.106683840000000,  0.757906250000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.500000000000000,  0.393316160000000,  0.257906250000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.500000000000000,  0.606683840000000,  0.757906250000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.000000000000000,  0.893316160000000,  0.257906250000000 ]    mass: 114.818000    reduced_to: 2  - symbol: Cl # 5    coordinates: [  0.000000000000000,  0.345406530000000,  0.758093750000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.500000000000000,  0.154593470000000,  0.258093750000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.500000000000000,  0.845406530000000,  0.758093750000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 8    coordinates: [  0.000000000000000,  0.654593470000000,  0.258093750000000 ]    mass: 35.453000    reduced_to: 6supercell:  lattice:  - [    12.674476049999999,     0.000000000000000,     0.000000000000000 ] # a  - 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