# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dc80bfc8-635c-41eb-8bf9-447e6fd85c57/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 Co2(GeS)3 / R-3 (148) / materials id 2956](https://mdr.nims.go.jp/datasets/efa02846-7342-4a63-ae0a-f51a142fe925)

## 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: "R-3"  number: 148  Hall_symbol: "-R 3"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.601354800000005,     3.233943686666663,     4.587989336666662 ] # a  - [    -5.601354789999994,     3.233943716666663,     4.587989336666662 ] # b  - [    -0.000000009999994,    -6.467887403333336,     4.587989336666662 ] # c  points:  - symbol: Co # 1    coordinates: [  0.260161910000000,  0.757225110000002,  0.254060880000000 ]    mass: 58.933195  - symbol: Co # 2    coordinates: [  0.739838090000000,  0.242774870000003,  0.745939120000000 ]    mass: 58.933195  - symbol: Co # 3    coordinates: [  0.757225120000000,  0.254060870000002,  0.260161910000000 ]    mass: 58.933195  - symbol: Co # 4    coordinates: [  0.242774870000000,  0.745939120000003,  0.739838090000000 ]    mass: 58.933195  - symbol: Co # 5    coordinates: [  0.254060880000000,  0.260161900000002,  0.757225120000000 ]    mass: 58.933195  - symbol: Co # 6    coordinates: [  0.756877540000000,  0.756877530000000,  0.756877540000000 ]    mass: 58.933195  - symbol: Co # 7    coordinates: [  0.745939120000000,  0.739838090000003,  0.242774870000000 ]    mass: 58.933195  - symbol: Co # 8    coordinates: [  0.243122470000000,  0.243122460000002,  0.243122470000000 ]    mass: 58.933195  - symbol: Ge # 9    coordinates: [  0.998905030000000,  0.848741670000000,  0.334686400000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.001094980000000,  0.151258330000002,  0.665313600000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.501423580000000,  0.349064860000002,  0.165878910000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.349064860000000,  0.165878910000002,  0.501423580000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.165878910000000,  0.501423580000002,  0.349064860000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.848741680000000,  0.334686390000000,  0.998905030000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.498576410000000,  0.650935140000003,  0.834121080000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.650935140000000,  0.834121080000003,  0.498576410000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.665313600000000,  0.001094980000002,  0.151258330000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.334686400000000,  0.998905020000000,  0.848741680000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.151258330000000,  0.665313600000002,  0.001094980000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.834121080000000,  0.498576410000003,  0.650935140000000 ]    mass: 72.640000  - symbol: S  # 21    coordinates: [  0.997023410000000,  0.851185860000000,  0.654886950000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.350551360000000,  0.844983800000003,  0.500811440000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.345113060000000,  0.002976590000001,  0.148814140000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.851185860000000,  0.654886950000000,  0.997023410000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.654886950000000,  0.997023410000000,  0.851185860000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.649448650000000,  0.155016200000002,  0.499188560000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.155016200000000,  0.499188560000002,  0.649448650000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.500811440000000,  0.350551360000003,  0.844983800000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.499188560000000,  0.649448650000002,  0.155016200000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.148814140000000,  0.345113060000001,  0.002976590000000 ]    mass: 32.065000  - symbol: S  # 31    coordinates: [  0.844983800000000,  0.500811440000003,  0.350551360000000 ]    mass: 32.065000  - symbol: S  # 32    coordinates: [  0.002976590000000,  0.148814140000001,  0.345113060000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.089264118962679,     0.051536662847424,     0.072653467319414 ] # a*  - [    -0.089264118686656,     0.051536663123447,     0.072653467319415 ] # b*  - [    -0.000000000276022,    -0.103073325970871,     0.072653467319414 ] # c*unit_cell:  lattice:  - [    11.202709590000000,    -0.000000030000000,     0.000000000000000 ] # a  - [    -5.601354780000000,     9.701831120000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.763968009999999 ] # c  points:  - symbol: Co # 1    coordinates: [  0.503012610000000,  0.503088420000000,  0.757149300000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.830320730000000,  0.163578240000000,  0.909517360000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 3    coordinates: [  0.000075820000000,  0.496987390000000,  0.757149300000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 4    coordinates: [  0.333257510000000,  0.169679270000000,  0.909517360000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 5    coordinates: [  0.496911580000000,  0.999924180000000,  0.757149300000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.090210870000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 7    coordinates: [  0.836421760000000,  0.666742490000000,  0.909517360000000 ]    mass: 58.933195    reduced_to: 7  - symbol: Co # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.576455800000000 ]    mass: 58.933195    reduced_to: 8  - symbol: Co # 9    coordinates: [  0.169679270000000,  0.836421760000000,  0.090482640000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 10    coordinates: [  0.496987390000000,  0.496911580000000,  0.242850700000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 11    coordinates: [  0.666742490000000,  0.830320730000000,  0.090482640000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 12    coordinates: [  0.999924180000000,  0.503012610000000,  0.242850700000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 13    coordinates: [  0.163578240000000,  0.333257510000000,  0.090482640000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.423544200000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 15    coordinates: [  0.503088420000000,  0.000075820000000,  0.242850700000000 ]    mass: 58.933195    reduced_to: 7  - symbol: Co # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.909789130000000 ]    mass: 58.933195    reduced_to: 8  - symbol: Co # 17    coordinates: [  0.836345940000000,  0.169755090000000,  0.423815970000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 18    coordinates: [  0.163654060000000,  0.830244910000000,  0.576184030000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 19    coordinates: [  0.333409160000000,  0.163654060000000,  0.423815970000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 20    coordinates: [  0.666590840000000,  0.836345940000000,  0.576184030000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 21    coordinates: [  0.830244910000000,  0.666590840000000,  0.423815970000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.756877530000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 23    coordinates: [  0.169755090000000,  0.333409160000000,  0.576184030000000 ]    mass: 58.933195    reduced_to: 7  - symbol: Co # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.243122470000000 ]    mass: 58.933195    reduced_to: 8  - symbol: Ge # 25    coordinates: [  0.938127330000000,  0.726091300000000,  0.060777700000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.395206010000000,  0.940575370000000,  0.605888970000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.829301130000000,  0.506243540000000,  0.672122450000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.676942410000000,  0.170698870000000,  0.672122450000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.493756460000000,  0.323057590000000,  0.672122450000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.787963980000000,  0.061872670000000,  0.060777700000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.504032200000000,  0.160423130000000,  0.994544210000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.656390930000000,  0.495967800000000,  0.994544210000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.059424630000000,  0.454630640000000,  0.605888970000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.273908700000000,  0.212036020000000,  0.060777700000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.545369360000000,  0.604793990000000,  0.605888970000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.839576870000000,  0.343609070000000,  0.994544210000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Ge # 37    coordinates: [  0.604793990000000,  0.059424630000000,  0.394111030000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 38    coordinates: [  0.061872670000000,  0.273908700000000,  0.939222300000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 39    coordinates: [  0.495967800000000,  0.839576870000000,  0.005455790000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 40    coordinates: [  0.343609070000000,  0.504032200000000,  0.005455790000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 41    coordinates: [  0.160423130000000,  0.656390930000000,  0.005455790000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 42    coordinates: [  0.454630640000000,  0.395206010000000,  0.394111030000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 43    coordinates: [  0.170698870000000,  0.493756460000000,  0.327877550000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 44    coordinates: [  0.323057590000000,  0.829301130000000,  0.327877550000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 45    coordinates: [  0.726091300000000,  0.787963980000000,  0.939222300000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 46    coordinates: [  0.940575370000000,  0.545369360000000,  0.394111030000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 47    coordinates: [  0.212036020000000,  0.938127330000000,  0.939222300000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 48    coordinates: [  0.506243540000000,  0.676942410000000,  0.327877550000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Ge # 49    coordinates: [  0.271460660000000,  0.392757970000000,  0.727444370000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 50    coordinates: [  0.728539340000000,  0.607242030000000,  0.272555630000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 51    coordinates: [  0.162634460000000,  0.172910210000000,  0.338789120000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 52    coordinates: [  0.010275740000000,  0.837365540000000,  0.338789120000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 53    coordinates: [  0.827089790000000,  0.989724260000000,  0.338789120000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 54    coordinates: [  0.121297310000000,  0.728539340000000,  0.727444370000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 55    coordinates: [  0.837365540000000,  0.827089790000000,  0.661210880000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 56    coordinates: [  0.989724260000000,  0.162634460000000,  0.661210880000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 57    coordinates: [  0.392757970000000,  0.121297310000000,  0.272555630000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 58    coordinates: [  0.607242030000000,  0.878702690000000,  0.727444370000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 59    coordinates: [  0.878702690000000,  0.271460660000000,  0.272555630000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 60    coordinates: [  0.172910210000000,  0.010275740000000,  0.661210880000000 ]    mass: 72.640000    reduced_to: 36  - symbol: S  # 61    coordinates: [  0.829324670000000,  0.512811790000000,  0.167698740000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.451769160000000,  0.397970760000000,  0.898782200000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 63    coordinates: [  0.846145130000000,  0.350153790000000,  0.498967930000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 64    coordinates: [  0.683487120000000,  0.170675330000000,  0.167698740000000 ]    mass: 32.065000    reduced_to: 64  - symbol: S  # 65    coordinates: [  0.487188210000000,  0.316512880000000,  0.167698740000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.881564180000000,  0.268695910000000,  0.767884470000000 ]    mass: 32.065000    reduced_to: 66  - symbol: S  # 67    coordinates: [  0.387131730000000,  0.118435820000000,  0.767884470000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 68    coordinates: [  0.602029240000000,  0.053798400000000,  0.898782200000000 ]    mass: 32.065000    reduced_to: 68  - symbol: S  # 69    coordinates: [  0.731304090000000,  0.612868270000000,  0.767884470000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 70    coordinates: [  0.649846210000000,  0.495991340000000,  0.498967930000000 ]    mass: 32.065000    reduced_to: 70  - symbol: S  # 71    coordinates: [  0.946201600000000,  0.548230840000000,  0.898782200000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 72    coordinates: [  0.504008660000000,  0.153854870000000,  0.498967930000000 ]    mass: 32.065000    reduced_to: 72  - symbol: S  # 73    coordinates: [  0.495991340000000,  0.846145130000000,  0.501032070000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 74    coordinates: [  0.118435820000000,  0.731304090000000,  0.232115530000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 75    coordinates: [  0.512811790000000,  0.683487120000000,  0.832301260000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 76    coordinates: [  0.350153790000000,  0.504008660000000,  0.501032070000000 ]    mass: 32.065000    reduced_to: 64  - symbol: S  # 77    coordinates: [  0.153854870000000,  0.649846210000000,  0.501032070000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 78    coordinates: [  0.548230840000000,  0.602029240000000,  0.101217800000000 ]    mass: 32.065000    reduced_to: 66  - symbol: S  # 79    coordinates: [  0.053798400000000,  0.451769160000000,  0.101217800000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 80    coordinates: [  0.268695910000000,  0.387131730000000,  0.232115530000000 ]    mass: 32.065000    reduced_to: 68  - symbol: S  # 81    coordinates: [  0.397970760000000,  0.946201600000000,  0.101217800000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 82    coordinates: [  0.316512880000000,  0.829324670000000,  0.832301260000000 ]    mass: 32.065000    reduced_to: 70  - symbol: S  # 83    coordinates: [  0.612868270000000,  0.881564180000000,  0.232115530000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 84    coordinates: [  0.170675330000000,  0.487188210000000,  0.832301260000000 ]    mass: 32.065000    reduced_to: 72  - symbol: S  # 85    coordinates: [  0.162658000000000,  0.179478460000000,  0.834365400000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 86    coordinates: [  0.785102490000000,  0.064637430000000,  0.565448870000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 87    coordinates: [  0.179478460000000,  0.016820460000000,  0.165634600000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 88    coordinates: [  0.016820460000000,  0.837342000000000,  0.834365400000000 ]    mass: 32.065000    reduced_to: 64  - symbol: S  # 89    coordinates: [  0.820521540000000,  0.983179540000000,  0.834365400000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 90    coordinates: [  0.214897510000000,  0.935362570000000,  0.434551130000000 ]    mass: 32.065000    reduced_to: 66  - symbol: S  # 91    coordinates: [  0.720465070000000,  0.785102490000000,  0.434551130000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 92    coordinates: [  0.935362570000000,  0.720465070000000,  0.565448870000000 ]    mass: 32.065000    reduced_to: 68  - symbol: S  # 93    coordinates: [  0.064637430000000,  0.279534930000000,  0.434551130000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 94    coordinates: [  0.983179540000000,  0.162658000000000,  0.165634600000000 ]    mass: 32.065000    reduced_to: 70  - symbol: S  # 95    coordinates: [  0.279534930000000,  0.214897510000000,  0.565448870000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 96    coordinates: [  0.837342000000000,  0.820521540000000,  0.165634600000000 ]    mass: 32.065000    reduced_to: 72supercell:  lattice:  - [    11.202709590000000,    -0.000000030000000,     0.000000000000000 ] # a  - [    -5.601354780000000,     9.701831120000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.763968009999999 ] # c  points:  - symbol: Co # 1    coordinates: [  0.503012610000000,  0.503088420000000,  0.757149300000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.830320730000000,  0.163578240000000,  0.909517360000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 3    coordinates: [  0.000075820000000,  0.496987390000000,  0.757149300000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 4    coordinates: [  0.333257510000000,  0.169679270000000,  0.909517360000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 5    coordinates: [  0.496911580000000,  0.999924180000000,  0.757149300000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.090210870000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 7    coordinates: [  0.836421760000000,  0.666742490000000,  0.909517360000000 ]    mass: 58.933195    reduced_to: 7  - 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