# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9daa373d-6e93-4e4d-b07f-51096380c8e7/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 In3SnI5 / P2_1/c (14) / materials id 568493](https://mdr.nims.go.jp/datasets/6a3f0705-9d9d-49b8-b15e-2800664b4aa8)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.625481779999999,     0.000000000000000,     0.052655730000000 ] # a  - [     0.000000000000000,     8.715921560000000,     0.000000000000000 ] # b  - [    -2.676844140000000,     0.000000000000000,    16.988072400000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.119955320000000,  0.178693710000000,  0.252389230000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.119955320000000,  0.321306290000000,  0.752389230000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.613177550000000,  0.405217540000000,  0.252257580000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.386822450000000,  0.905217540000000,  0.247742420000000 ]    mass: 114.818000  - symbol: In # 5    coordinates: [  0.880044680000000,  0.678693710000000,  0.247610770000000 ]    mass: 114.818000  - symbol: In # 6    coordinates: [  0.710315170000000,  0.457640130000000,  0.530421460000000 ]    mass: 114.818000  - symbol: In # 7    coordinates: [  0.289684830000000,  0.542359870000000,  0.469578540000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.613177550000000,  0.094782460000000,  0.752257580000000 ]    mass: 114.818000  - symbol: In # 9    coordinates: [  0.289684830000000,  0.957640130000000,  0.969578540000000 ]    mass: 114.818000  - symbol: In # 10    coordinates: [  0.386822450000000,  0.594782460000000,  0.747742420000000 ]    mass: 114.818000  - symbol: In # 11    coordinates: [  0.880044680000000,  0.821306290000000,  0.747610770000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.710315170000000,  0.042359870000000,  0.030421460000000 ]    mass: 114.818000  - symbol: Sn # 13    coordinates: [  0.793472170000000,  0.462125890000000,  0.917663190000000 ]    mass: 118.710000  - symbol: Sn # 14    coordinates: [  0.206527830000000,  0.962125890000000,  0.582336810000000 ]    mass: 118.710000  - symbol: Sn # 15    coordinates: [  0.206527830000000,  0.537874110000000,  0.082336810000000 ]    mass: 118.710000  - symbol: Sn # 16    coordinates: [  0.793472170000000,  0.037874110000000,  0.417663190000000 ]    mass: 118.710000  - symbol: I  # 17    coordinates: [  0.113993570000000,  0.625464600000000,  0.893606090000000 ]    mass: 126.904470  - symbol: I  # 18    coordinates: [  0.113993570000000,  0.874535400000000,  0.393606090000000 ]    mass: 126.904470  - symbol: I  # 19    coordinates: [  0.750540990000000,  0.458166380000000,  0.739174430000000 ]    mass: 126.904470  - symbol: I  # 20    coordinates: [  0.955656330000000,  0.357062110000000,  0.397474630000000 ]    mass: 126.904470  - symbol: I  # 21    coordinates: [  0.523401950000000,  0.787944540000000,  0.607457990000000 ]    mass: 126.904470  - symbol: I  # 22    coordinates: [  0.624848140000000,  0.719103290000000,  0.386185690000000 ]    mass: 126.904470  - symbol: I  # 23    coordinates: [  0.476598050000000,  0.212055460000000,  0.392542010000000 ]    mass: 126.904470  - symbol: I  # 24    coordinates: [  0.523401950000000,  0.712055460000000,  0.107457990000000 ]    mass: 126.904470  - symbol: I  # 25    coordinates: [  0.750540990000000,  0.041833620000000,  0.239174430000000 ]    mass: 126.904470  - symbol: I  # 26    coordinates: [  0.375151860000000,  0.219103290000000,  0.113814310000000 ]    mass: 126.904470  - symbol: I  # 27    coordinates: [  0.886006430000000,  0.125464600000000,  0.606393910000000 ]    mass: 126.904470  - symbol: I  # 28    coordinates: [  0.044343670000000,  0.642937890000000,  0.602525370000000 ]    mass: 126.904470  - symbol: I  # 29    coordinates: [  0.375151860000000,  0.280896710000000,  0.613814310000000 ]    mass: 126.904470  - symbol: I  # 30    coordinates: [  0.476598050000000,  0.287944540000000,  0.892542010000000 ]    mass: 126.904470  - symbol: I  # 31    coordinates: [  0.249459010000000,  0.541833620000000,  0.260825570000000 ]    mass: 126.904470  - symbol: I  # 32    coordinates: [  0.249459010000000,  0.958166380000000,  0.760825570000000 ]    mass: 126.904470  - symbol: I  # 33    coordinates: [  0.886006430000000,  0.374535400000000,  0.106393910000000 ]    mass: 126.904470  - symbol: I  # 34    coordinates: [  0.624848140000000,  0.780896710000000,  0.886185690000000 ]    mass: 126.904470  - symbol: I  # 35    coordinates: [  0.044343670000000,  0.857062110000000,  0.102525370000000 ]    mass: 126.904470  - symbol: I  # 36    coordinates: [  0.955656330000000,  0.142937890000000,  0.897474630000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.115824138847050,     0.000000000000000,     0.018250638450497 ] # a*  - [     0.000000000000000,     0.114732560764349,     0.000000000000000 ] # b*  - [    -0.000359005097165,     0.000000000000000,     0.058808261219173 ] # c*unit_cell:  lattice:  - [     8.625481779999999,     0.000000000000000,     0.052655730000000 ] # a  - [     0.000000000000000,     8.715921560000000,     0.000000000000000 ] # b  - [    -2.676844140000000,     0.000000000000000,    16.988072400000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.119955320000000,  0.178693710000000,  0.252389230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.119955320000000,  0.321306290000000,  0.752389230000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.613177550000000,  0.405217540000000,  0.252257580000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.386822450000000,  0.905217540000000,  0.247742420000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.880044680000000,  0.678693710000000,  0.247610770000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.710315170000000,  0.457640130000000,  0.530421460000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.289684830000000,  0.542359870000000,  0.469578540000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.613177550000000,  0.094782460000000,  0.752257580000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 9    coordinates: [  0.289684830000000,  0.957640130000000,  0.969578540000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.386822450000000,  0.594782460000000,  0.747742420000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 11    coordinates: [  0.880044680000000,  0.821306290000000,  0.747610770000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 12    coordinates: [  0.710315170000000,  0.042359870000000,  0.030421460000000 ]    mass: 114.818000    reduced_to: 12  - symbol: Sn # 13    coordinates: [  0.793472170000000,  0.462125890000000,  0.917663190000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 14    coordinates: [  0.206527830000000,  0.962125890000000,  0.582336810000000 ]    mass: 118.710000    reduced_to: 14  - symbol: Sn # 15    coordinates: [  0.206527830000000,  0.537874110000000,  0.082336810000000 ]    mass: 118.710000    reduced_to: 15  - symbol: Sn # 16    coordinates: [  0.793472170000000,  0.037874110000000,  0.417663190000000 ]    mass: 118.710000    reduced_to: 16  - symbol: I  # 17    coordinates: [  0.113993570000000,  0.625464600000000,  0.893606090000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 18    coordinates: [  0.113993570000000,  0.874535400000000,  0.393606090000000 ]    mass: 126.904470    reduced_to: 18  - symbol: I  # 19    coordinates: [  0.750540990000000,  0.458166380000000,  0.739174430000000 ]    mass: 126.904470    reduced_to: 19  - symbol: I  # 20    coordinates: [  0.955656330000000,  0.357062110000000,  0.397474630000000 ]    mass: 126.904470    reduced_to: 20  - symbol: I  # 21    coordinates: [  0.523401950000000,  0.787944540000000,  0.607457990000000 ]    mass: 126.904470    reduced_to: 21  - symbol: I  # 22    coordinates: [  0.624848140000000,  0.719103290000000,  0.386185690000000 ]    mass: 126.904470    reduced_to: 22  - symbol: I  # 23    coordinates: [  0.476598050000000,  0.212055460000000,  0.392542010000000 ]    mass: 126.904470    reduced_to: 23  - symbol: I  # 24    coordinates: [  0.523401950000000,  0.712055460000000,  0.107457990000000 ]    mass: 126.904470    reduced_to: 24  - symbol: I  # 25    coordinates: [  0.750540990000000,  0.041833620000000,  0.239174430000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 26    coordinates: [  0.375151860000000,  0.219103290000000,  0.113814310000000 ]    mass: 126.904470    reduced_to: 26  - symbol: I  # 27    coordinates: [  0.886006430000000,  0.125464600000000,  0.606393910000000 ]    mass: 126.904470    reduced_to: 27  - symbol: I  # 28    coordinates: [  0.044343670000000,  0.642937890000000,  0.602525370000000 ]    mass: 126.904470    reduced_to: 28  - symbol: I  # 29    coordinates: [  0.375151860000000,  0.280896710000000,  0.613814310000000 ]    mass: 126.904470    reduced_to: 29  - symbol: I  # 30    coordinates: [  0.476598050000000,  0.287944540000000,  0.892542010000000 ]    mass: 126.904470    reduced_to: 30  - symbol: I  # 31    coordinates: [  0.249459010000000,  0.541833620000000,  0.260825570000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 32    coordinates: [  0.249459010000000,  0.958166380000000,  0.760825570000000 ]    mass: 126.904470    reduced_to: 32  - symbol: I  # 33    coordinates: [  0.886006430000000,  0.374535400000000,  0.106393910000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 34    coordinates: [  0.624848140000000,  0.780896710000000,  0.886185690000000 ]    mass: 126.904470    reduced_to: 34  - symbol: I  # 35    coordinates: [  0.044343670000000,  0.857062110000000,  0.102525370000000 ]    mass: 126.904470    reduced_to: 35  - symbol: I  # 36    coordinates: [  0.955656330000000,  0.142937890000000,  0.897474630000000 ]    mass: 126.904470    reduced_to: 36supercell:  lattice:  - [    17.250963559999999,     0.000000000000000,     0.105311460000000 ] # a  - [     0.000000000000000,    17.431843120000000,     0.000000000000000 ] # b  - [    -2.676844140000000,     0.000000000000000,    16.988072400000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.059977660000000,  0.089346855000000,  0.252389230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.559977660000000,  0.089346855000000,  0.252389230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.059977660000000,  0.589346855000000,  0.252389230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.559977660000000,  0.589346855000000,  0.252389230000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 5    coordinates: [  0.059977660000000,  0.160653145000000,  0.752389230000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.559977660000000,  0.160653145000000,  0.752389230000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 7    coordinates: [  0.059977660000000,  0.660653145000000,  0.752389230000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 8    coordinates: [  0.559977660000000,  0.660653145000000,  0.752389230000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 9    coordinates: [  0.306588775000000,  0.202608770000000,  0.252257580000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.806588775000000,  0.202608770000000,  0.252257580000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 11    coordinates: [  0.306588775000000,  0.702608770000000,  0.252257580000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 12    coordinates: [  0.806588775000000,  0.702608770000000,  0.252257580000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 13    coordinates: [  0.193411225000000,  0.452608770000000,  0.247742420000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.693411225000000,  0.452608770000000,  0.247742420000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 15    coordinates: [  0.193411225000000,  0.952608770000000,  0.247742420000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 16    coordinates: [  0.693411225000000,  0.952608770000000,  0.247742420000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 17    coordinates: [  0.440022340000000,  0.339346855000000,  0.247610770000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.940022340000000,  0.339346855000000,  0.247610770000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 19    coordinates: [  0.440022340000000,  0.839346855000000,  0.247610770000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 20    coordinates: [  0.940022340000000,  0.839346855000000,  0.247610770000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 21    coordinates: [  0.355157585000000,  0.228820065000000,  0.530421460000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 22    coordinates: [  0.855157585000000,  0.228820065000000,  0.530421460000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 23    coordinates: [  0.355157585000000,  0.728820065000000,  0.530421460000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 24    coordinates: [  0.855157585000000,  0.728820065000000,  0.530421460000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 25    coordinates: [  0.144842415000000,  0.271179935000000,  0.469578540000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.644842415000000,  0.271179935000000,  0.469578540000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 27    coordinates: [  0.144842415000000,  0.771179935000000,  0.469578540000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 28    coordinates: [  0.644842415000000,  0.771179935000000,  0.469578540000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 29    coordinates: [  0.306588775000000,  0.047391230000000,  0.752257580000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 30    coordinates: [  0.806588775000000,  0.047391230000000,  0.752257580000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 31    coordinates: [  0.306588775000000,  0.547391230000000,  0.752257580000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 32    coordinates: [  0.806588775000000,  0.547391230000000,  0.752257580000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 33    coordinates: [  0.144842415000000,  0.478820065000000,  0.969578540000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 34    coordinates: [  0.644842415000000,  0.478820065000000,  0.969578540000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 35    coordinates: [  0.144842415000000,  0.978820065000000,  0.969578540000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 36    coordinates: [  0.644842415000000,  0.978820065000000,  0.969578540000000 ]    mass: 114.818000    reduced_to: 33  - symbol: In # 37    coordinates: [  0.193411225000000,  0.297391230000000,  0.747742420000000 ]    mass: 114.818000    reduced_to: 37  - symbol: In # 38    coordinates: [  0.693411225000000,  0.297391230000000,  0.747742420000000 ]    mass: 114.818000    reduced_to: 37  - symbol: In # 39    coordinates: [  0.193411225000000,  0.797391230000000,  0.747742420000000 ]    mass: 114.818000    reduced_to: 37  - symbol: In # 40    coordinates: [  0.693411225000000,  0.797391230000000,  0.747742420000000 ]    mass: 114.818000    reduced_to: 37  - symbol: In # 41    coordinates: [  0.440022340000000,  0.410653145000000,  0.747610770000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 42    coordinates: [  0.940022340000000,  0.410653145000000,  0.747610770000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 43    coordinates: [  0.440022340000000,  0.910653145000000,  0.747610770000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 44    coordinates: [  0.940022340000000,  0.910653145000000,  0.747610770000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 45    coordinates: [  0.355157585000000,  0.021179935000000,  0.030421460000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 46    coordinates: [  0.855157585000000,  0.021179935000000,  0.030421460000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 47    coordinates: [  0.355157585000000,  0.521179935000000,  0.030421460000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 48    coordinates: [  0.855157585000000,  0.521179935000000,  0.030421460000000 ]    mass: 114.818000    reduced_to: 45  - symbol: Sn # 49    coordinates: [  0.396736085000000,  0.231062945000000,  0.917663190000000 ]    mass: 118.710000    reduced_to: 49  - symbol: Sn # 50    coordinates: [  0.896736085000000,  0.231062945000000,  0.917663190000000 ]    mass: 118.710000    reduced_to: 49  - symbol: Sn # 51    coordinates: [  0.396736085000000,  0.731062945000000,  0.917663190000000 ]    mass: 118.710000    reduced_to: 49  - symbol: Sn # 52    coordinates: [  0.896736085000000,  0.731062945000000,  0.917663190000000 ]    mass: 118.710000    reduced_to: 49  - symbol: Sn # 53    coordinates: [  0.103263915000000,  0.481062945000000,  0.582336810000000 ]    mass: 118.710000    reduced_to: 53  - symbol: Sn # 54    coordinates: [  0.603263915000000,  0.481062945000000,  0.582336810000000 ]    mass: 118.710000    reduced_to: 53  - symbol: Sn # 55    coordinates: [  0.103263915000000,  0.981062945000000,  0.582336810000000 ]    mass: 118.710000    reduced_to: 53  - symbol: Sn # 56    coordinates: [  0.603263915000000,  0.981062945000000,  0.582336810000000 ]    mass: 118.710000    reduced_to: 53  - symbol: Sn # 57    coordinates: [  0.103263915000000,  0.268937055000000,  0.082336810000000 ]    mass: 118.710000    reduced_to: 57  - 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