# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/786c0899-687b-4ec2-97f2-fd912d447d46/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 In2Si(AgS3)2 / Cc (9) / materials id 558407](https://mdr.nims.go.jp/datasets/a38313a5-4075-47c2-befb-4a99c283140e)

## 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: "Cc"  number: 9  Hall_symbol: "C -2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.049290090000000,    -3.535289940000000,    -0.014434405000000 ] # a  - [     6.049290090000000,     3.535289940000000,    -0.014434405000000 ] # b  - [    -4.041592020000000,     0.000000000000000,    11.352805549999999 ] # c  points:  - symbol: In # 1    coordinates: [  0.826323620000000,  0.697392540000000,  0.232682420000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.680577410000000,  0.478946050000000,  0.430300550000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.478946050000000,  0.680577410000000,  0.930300550000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.697392540000000,  0.826323620000000,  0.732682420000000 ]    mass: 114.818000  - symbol: Si # 5    coordinates: [  0.593551360000000,  0.063168560000000,  0.490152150000000 ]    mass: 28.085500  - symbol: Si # 6    coordinates: [  0.063168560000000,  0.593551360000000,  0.990152150000000 ]    mass: 28.085500  - symbol: Ag # 7    coordinates: [  0.609923510000000,  0.187378310000000,  0.077531080000000 ]    mass: 107.868200  - symbol: Ag # 8    coordinates: [  0.196288210000000,  0.006047510000000,  0.237805820000000 ]    mass: 107.868200  - symbol: Ag # 9    coordinates: [  0.187378310000000,  0.609923510000000,  0.577531080000000 ]    mass: 107.868200  - symbol: Ag # 10    coordinates: [  0.006047510000000,  0.196288210000000,  0.737805820000000 ]    mass: 107.868200  - symbol: S  # 11    coordinates: [  0.832276150000000,  0.345425110000000,  0.245616130000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.395147840000000,  0.352124980000000,  0.410064740000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.473399220000000,  0.945635980000000,  0.119797530000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.907190680000000,  0.899103080000000,  0.436279020000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.352124980000000,  0.395147840000000,  0.910064740000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.345425110000000,  0.832276150000000,  0.745616130000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.401851990000000,  0.884306050000000,  0.442077110000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.945635980000000,  0.473399220000000,  0.619797530000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.167476900000000,  0.636664980000000,  0.175993470000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.636664980000000,  0.167476900000000,  0.675993470000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.899103080000000,  0.907190680000000,  0.936279020000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.884306050000000,  0.401851990000000,  0.942077110000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.082724598167724,    -0.141431115548050,     0.029449907720156 ] # a*  - [     0.082724598167724,     0.141431115548050,     0.029449907720156 ] # b*  - [     0.000210358637459,     0.000000000000000,     0.088158841387933 ] # c*unit_cell:  lattice:  - [    12.098580180000001,     0.000000000000000,    -0.028868810000000 ] # a  - [     0.000000000000000,     7.070579880000000,     0.000000000000000 ] # b  - [    -4.041592020000000,     0.000000000000000,    11.352805549999999 ] # c  points:  - symbol: In # 1    coordinates: [  0.261858080000000,  0.435534460000000,  0.232682420000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.079761730000000,  0.399184320000000,  0.430300550000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.079761730000000,  0.600815680000000,  0.930300550000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.261858080000000,  0.564465540000000,  0.732682420000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.761858080000000,  0.935534460000000,  0.232682420000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 6    coordinates: [  0.579761730000000,  0.899184320000000,  0.430300550000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 7    coordinates: [  0.579761730000000,  0.100815680000000,  0.930300550000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 8    coordinates: [  0.761858080000000,  0.064465540000000,  0.732682420000000 ]    mass: 114.818000    reduced_to: 4  - symbol: Si # 9    coordinates: [  0.828359960000000,  0.234808600000000,  0.490152150000000 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 10    coordinates: [  0.828359960000000,  0.765191400000000,  0.990152150000000 ]    mass: 28.085500    reduced_to: 10  - symbol: Si # 11    coordinates: [  0.328359960000000,  0.734808600000000,  0.490152150000000 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 12    coordinates: [  0.328359960000000,  0.265191400000000,  0.990152150000000 ]    mass: 28.085500    reduced_to: 10  - symbol: Ag # 13    coordinates: [  0.898650910000000,  0.288727400000000,  0.077531080000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 14    coordinates: [  0.601167860000000,  0.404879650000000,  0.237805820000000 ]    mass: 107.868200    reduced_to: 14  - symbol: Ag # 15    coordinates: [  0.898650910000000,  0.711272600000000,  0.577531080000000 ]    mass: 107.868200    reduced_to: 15  - symbol: Ag # 16    coordinates: [  0.601167860000000,  0.595120350000000,  0.737805820000000 ]    mass: 107.868200    reduced_to: 16  - symbol: Ag # 17    coordinates: [  0.398650910000000,  0.788727400000000,  0.077531080000000 ]    mass: 107.868200    reduced_to: 13  - symbol: Ag # 18    coordinates: [  0.101167860000000,  0.904879650000000,  0.237805820000000 ]    mass: 107.868200    reduced_to: 14  - symbol: Ag # 19    coordinates: [  0.398650910000000,  0.211272600000000,  0.577531080000000 ]    mass: 107.868200    reduced_to: 15  - symbol: Ag # 20    coordinates: [  0.101167860000000,  0.095120350000000,  0.737805820000000 ]    mass: 107.868200    reduced_to: 16  - symbol: S  # 21    coordinates: [  0.088850630000000,  0.256574480000000,  0.245616130000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.873636410000000,  0.478488570000000,  0.410064740000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.209517600000000,  0.736118380000000,  0.119797530000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.403146880000000,  0.495956200000000,  0.436279020000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.873636410000000,  0.521511430000000,  0.910064740000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.088850630000000,  0.743425520000000,  0.745616130000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.143079020000000,  0.741227030000000,  0.442077110000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.209517600000000,  0.263881620000000,  0.619797530000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.902070940000000,  0.734594040000000,  0.175993470000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.902070940000000,  0.265405960000000,  0.675993470000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.403146880000000,  0.504043800000000,  0.936279020000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.143079020000000,  0.258772970000000,  0.942077110000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.588850630000000,  0.756574480000000,  0.245616130000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 34    coordinates: [  0.373636410000000,  0.978488570000000,  0.410064740000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 35    coordinates: [  0.709517600000000,  0.236118380000000,  0.119797530000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 36    coordinates: [  0.903146880000000,  0.995956200000000,  0.436279020000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 37    coordinates: [  0.373636410000000,  0.021511430000000,  0.910064740000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 38    coordinates: [  0.588850630000000,  0.243425520000000,  0.745616130000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 39    coordinates: [  0.643079020000000,  0.241227030000000,  0.442077110000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 40    coordinates: [  0.709517600000000,  0.763881620000000,  0.619797530000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 41    coordinates: [  0.402070940000000,  0.234594040000000,  0.175993470000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 42    coordinates: [  0.402070940000000,  0.765405960000000,  0.675993470000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 43    coordinates: [  0.903146880000000,  0.004043800000000,  0.936279020000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 44    coordinates: [  0.643079020000000,  0.758772970000000,  0.942077110000000 ]    mass: 32.065000    reduced_to: 32supercell:  lattice:  - [    12.098580180000001,     0.000000000000000,    -0.028868810000000 ] # a  - [     0.000000000000000,    14.141159760000001,     0.000000000000000 ] # b  - [    -4.041592020000000,     0.000000000000000,    11.352805549999999 ] # c  points:  - symbol: In # 1    coordinates: [  0.261858080000000,  0.217767230000000,  0.232682420000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.261858080000000,  0.717767230000000,  0.232682420000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.079761730000000,  0.199592160000000,  0.430300550000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.079761730000000,  0.699592160000000,  0.430300550000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 5    coordinates: [  0.079761730000000,  0.300407840000000,  0.930300550000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.079761730000000,  0.800407840000000,  0.930300550000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 7    coordinates: [  0.261858080000000,  0.282232770000000,  0.732682420000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.261858080000000,  0.782232770000000,  0.732682420000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 9    coordinates: [  0.761858080000000,  0.467767230000000,  0.232682420000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 10    coordinates: [  0.761858080000000,  0.967767230000000,  0.232682420000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 11    coordinates: [  0.579761730000000,  0.449592160000000,  0.430300550000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 12    coordinates: [  0.579761730000000,  0.949592160000000,  0.430300550000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 13    coordinates: [  0.579761730000000,  0.050407840000000,  0.930300550000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 14    coordinates: [  0.579761730000000,  0.550407840000000,  0.930300550000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 15    coordinates: [  0.761858080000000,  0.032232770000000,  0.732682420000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 16    coordinates: [  0.761858080000000,  0.532232770000000,  0.732682420000000 ]    mass: 114.818000    reduced_to: 7  - symbol: Si # 17    coordinates: [  0.828359960000000,  0.117404300000000,  0.490152150000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 18    coordinates: [  0.828359960000000,  0.617404300000000,  0.490152150000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 19    coordinates: [  0.828359960000000,  0.382595700000000,  0.990152150000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 20    coordinates: [  0.828359960000000,  0.882595700000000,  0.990152150000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 21    coordinates: [  0.328359960000000,  0.367404300000000,  0.490152150000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 22    coordinates: [  0.328359960000000,  0.867404300000000,  0.490152150000000 ]    mass: 28.085500    reduced_to: 17  - symbol: Si # 23    coordinates: [  0.328359960000000,  0.132595700000000,  0.990152150000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 24    coordinates: [  0.328359960000000,  0.632595700000000,  0.990152150000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Ag # 25    coordinates: [  0.898650910000000,  0.144363700000000,  0.077531080000000 ]    mass: 107.868200    reduced_to: 25  - symbol: Ag # 26    coordinates: [  0.898650910000000,  0.644363700000000,  0.077531080000000 ]    mass: 107.868200    reduced_to: 25  - symbol: Ag # 27    coordinates: [  0.601167860000000,  0.202439825000000,  0.237805820000000 ]    mass: 107.868200    reduced_to: 27  - symbol: Ag # 28    coordinates: [  0.601167860000000,  0.702439825000000,  0.237805820000000 ]    mass: 107.868200    reduced_to: 27  - symbol: Ag # 29    coordinates: [  0.898650910000000,  0.355636300000000,  0.577531080000000 ]    mass: 107.868200    reduced_to: 29  - symbol: Ag # 30    coordinates: [  0.898650910000000,  0.855636300000000,  0.577531080000000 ]    mass: 107.868200    reduced_to: 29  - symbol: Ag # 31    coordinates: [  0.601167860000000,  0.297560175000000,  0.737805820000000 ]    mass: 107.868200    reduced_to: 31  - symbol: Ag # 32    coordinates: [  0.601167860000000,  0.797560175000000,  0.737805820000000 ]    mass: 107.868200    reduced_to: 31  - symbol: Ag # 33    coordinates: [  0.398650910000000,  0.394363700000000,  0.077531080000000 ]    mass: 107.868200    reduced_to: 25  - symbol: Ag # 34    coordinates: [  0.398650910000000,  0.894363700000000,  0.077531080000000 ]    mass: 107.868200    reduced_to: 25  - symbol: Ag # 35    coordinates: [  0.101167860000000,  0.452439825000000,  0.237805820000000 ]    mass: 107.868200    reduced_to: 27  - symbol: Ag # 36    coordinates: [  0.101167860000000,  0.952439825000000,  0.237805820000000 ]    mass: 107.868200    reduced_to: 27  - symbol: Ag # 37    coordinates: [  0.398650910000000,  0.105636300000000,  0.577531080000000 ]    mass: 107.868200    reduced_to: 29  - symbol: Ag # 38    coordinates: [  0.398650910000000,  0.605636300000000,  0.577531080000000 ]    mass: 107.868200    reduced_to: 29  - symbol: Ag # 39    coordinates: [  0.101167860000000,  0.047560175000000,  0.737805820000000 ]    mass: 107.868200    reduced_to: 31  - symbol: Ag # 40    coordinates: [  0.101167860000000,  0.547560175000000,  0.737805820000000 ]    mass: 107.868200    reduced_to: 31  - symbol: S  # 41    coordinates: [  0.088850630000000,  0.128287240000000,  0.245616130000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.088850630000000,  0.628287240000000,  0.245616130000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 43    coordinates: [  0.873636410000000,  0.239244285000000,  0.410064740000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.873636410000000,  0.739244285000000,  0.410064740000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.209517600000000,  0.368059190000000,  0.119797530000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.209517600000000,  0.868059190000000,  0.119797530000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 47    coordinates: [  0.403146880000000,  0.247978100000000,  0.436279020000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.403146880000000,  0.747978100000000,  0.436279020000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 49    coordinates: [  0.873636410000000,  0.260755715000000,  0.910064740000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.873636410000000,  0.760755715000000,  0.910064740000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.088850630000000,  0.371712760000000,  0.745616130000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.088850630000000,  0.871712760000000,  0.745616130000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 53    coordinates: [  0.143079020000000,  0.370613515000000,  0.442077110000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.143079020000000,  0.870613515000000,  0.442077110000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 55    coordinates: [  0.209517600000000,  0.131940810000000,  0.619797530000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.209517600000000,  0.631940810000000,  0.619797530000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.902070940000000,  0.367297020000000,  0.175993470000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.902070940000000,  0.867297020000000,  0.175993470000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 59    coordinates: [  0.902070940000000,  0.132702980000000,  0.675993470000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.902070940000000,  0.632702980000000,  0.675993470000000 ]    mass: 32.065000    reduced_to: 59  - 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