# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/aa6c3be3-dc87-430b-9a19-d10dd43c7e48/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(GeTe)3 / R-3 (148) / materials id 2994](https://mdr.nims.go.jp/datasets/485c0d72-0fa9-4dcd-94c3-37ffe03e0849)

## 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:  - [     6.105466436666672,     3.524992696666663,     4.994338063333328 ] # a  - [    -6.105466443333326,     3.524992686666663,     4.994338063333328 ] # b  - [     0.000000006666673,    -7.049985383333337,     4.994338063333328 ] # c  points:  - symbol: Co # 1    coordinates: [  0.244737110000000,  0.244737110000001,  0.244737110000000 ]    mass: 58.933195  - symbol: Co # 2    coordinates: [  0.755262890000000,  0.755262890000002,  0.755262890000000 ]    mass: 58.933195  - symbol: Co # 3    coordinates: [  0.249418460000000,  0.746102950000002,  0.748124010000000 ]    mass: 58.933195  - symbol: Co # 4    coordinates: [  0.748124010000000,  0.249418470000002,  0.746102940000000 ]    mass: 58.933195  - symbol: Co # 5    coordinates: [  0.746102940000000,  0.748124020000002,  0.249418460000000 ]    mass: 58.933195  - symbol: Co # 6    coordinates: [  0.750581540000000,  0.253897050000001,  0.251875990000000 ]    mass: 58.933195  - symbol: Co # 7    coordinates: [  0.251875990000000,  0.750581530000001,  0.253897060000000 ]    mass: 58.933195  - symbol: Co # 8    coordinates: [  0.253897060000000,  0.251875980000001,  0.750581540000000 ]    mass: 58.933195  - symbol: Ge # 9    coordinates: [  0.996255070000000,  0.319073070000001,  0.167779070000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.167779070000000,  0.996255080000002,  0.319073060000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.319073060000000,  0.167779080000001,  0.996255070000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.003744930000000,  0.680926930000001,  0.832220930000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.832220930000000,  0.003744920000002,  0.680926940000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.680926940000000,  0.832220920000002,  0.003744930000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.500655490000000,  0.818966500000001,  0.331356400000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.331356400000000,  0.500655480000001,  0.818966510000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.818966510000000,  0.331356390000002,  0.500655490000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.499344510000000,  0.181033500000001,  0.668643600000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.668643600000000,  0.499344520000001,  0.181033490000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.181033490000000,  0.668643610000001,  0.499344510000000 ]    mass: 72.640000  - symbol: Te # 21    coordinates: [  0.999140440000000,  0.344244640000002,  0.850666300000000 ]    mass: 127.600000  - symbol: Te # 22    coordinates: [  0.850666300000000,  0.999140440000002,  0.344244640000000 ]    mass: 127.600000  - symbol: Te # 23    coordinates: [  0.344244640000000,  0.850666300000002,  0.999140440000000 ]    mass: 127.600000  - symbol: Te # 24    coordinates: [  0.000859560000000,  0.655755360000001,  0.149333700000000 ]    mass: 127.600000  - symbol: Te # 25    coordinates: [  0.149333700000000,  0.000859560000001,  0.655755360000000 ]    mass: 127.600000  - symbol: Te # 26    coordinates: [  0.655755360000000,  0.149333700000001,  0.000859560000000 ]    mass: 127.600000  - symbol: Te # 27    coordinates: [  0.504740090000000,  0.844547550000002,  0.648502630000000 ]    mass: 127.600000  - symbol: Te # 28    coordinates: [  0.648502630000000,  0.504740080000002,  0.844547560000000 ]    mass: 127.600000  - symbol: Te # 29    coordinates: [  0.844547560000000,  0.648502620000002,  0.504740090000000 ]    mass: 127.600000  - symbol: Te # 30    coordinates: [  0.495259910000000,  0.155452450000001,  0.351497370000000 ]    mass: 127.600000  - symbol: Te # 31    coordinates: [  0.351497370000000,  0.495259920000001,  0.155452440000000 ]    mass: 127.600000  - symbol: Te # 32    coordinates: [  0.155452440000000,  0.351497380000001,  0.495259910000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.081893824931678,     0.047281421982422,     0.066742244739208 ] # a*  - [    -0.081893825009119,     0.047281421827540,     0.066742244739208 ] # b*  - [     0.000000000077441,    -0.094562843809962,     0.066742244739208 ] # c*unit_cell:  lattice:  - [    12.210932880000000,     0.000000010000000,     0.000000000000000 ] # a  - [    -6.105466450000000,    10.574978070000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.983014190000000 ] # c  points:  - symbol: Co # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.244737110000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.755262890000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 3    coordinates: [  0.668203320000000,  0.833091130000000,  0.581215140000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 4    coordinates: [  0.166908870000000,  0.835112200000000,  0.581215140000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 5    coordinates: [  0.164887800000000,  0.331796680000000,  0.581215140000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 6    coordinates: [  0.331796680000000,  0.166908870000000,  0.418784860000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 7    coordinates: [  0.833091130000000,  0.164887800000000,  0.418784860000000 ]    mass: 58.933195    reduced_to: 7  - symbol: Co # 8    coordinates: [  0.835112200000000,  0.668203320000000,  0.418784860000000 ]    mass: 58.933195    reduced_to: 8  - symbol: Co # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.578070440000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.088596220000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 11    coordinates: [  0.334869990000000,  0.166424460000000,  0.914548470000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 12    coordinates: [  0.833575540000000,  0.168445540000000,  0.914548470000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 13    coordinates: [  0.831554460000000,  0.665130010000000,  0.914548470000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 14    coordinates: [  0.998463340000000,  0.500242200000000,  0.752118190000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 15    coordinates: [  0.499757800000000,  0.498221130000000,  0.752118190000000 ]    mass: 58.933195    reduced_to: 7  - symbol: Co # 16    coordinates: [  0.501778870000000,  0.001536660000000,  0.752118190000000 ]    mass: 58.933195    reduced_to: 8  - symbol: Co # 17    coordinates: [  0.333333330000000,  0.666666670000000,  0.911403780000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 18    coordinates: [  0.333333330000000,  0.666666670000000,  0.421929560000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 19    coordinates: [  0.001536660000000,  0.499757800000000,  0.247881810000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 20    coordinates: [  0.500242200000000,  0.501778870000000,  0.247881810000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 21    coordinates: [  0.498221130000000,  0.998463340000000,  0.247881810000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 22    coordinates: [  0.665130010000000,  0.833575540000000,  0.085451530000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 23    coordinates: [  0.166424460000000,  0.831554460000000,  0.085451530000000 ]    mass: 58.933195    reduced_to: 7  - symbol: Co # 24    coordinates: [  0.168445540000000,  0.334869990000000,  0.085451530000000 ]    mass: 58.933195    reduced_to: 8  - symbol: Ge # 25    coordinates: [  0.501886000000000,  0.326590000000000,  0.494369070000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.673410000000000,  0.175296010000000,  0.494369070000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.824703990000000,  0.498114000000000,  0.494369070000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.498114000000000,  0.673410000000000,  0.505630930000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.326590000000000,  0.824703990000000,  0.505630930000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.175296010000000,  0.501886000000000,  0.505630930000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.950329360000000,  0.218969730000000,  0.550326130000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.781030270000000,  0.731359620000000,  0.550326130000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.268640380000000,  0.049670640000000,  0.550326130000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.049670640000000,  0.781030270000000,  0.449673870000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.218969730000000,  0.268640380000000,  0.449673870000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.731359620000000,  0.950329360000000,  0.449673870000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Ge # 37    coordinates: [  0.168552670000000,  0.659923330000000,  0.827702400000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 38    coordinates: [  0.340076670000000,  0.508629340000000,  0.827702400000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 39    coordinates: [  0.491370660000000,  0.831447330000000,  0.827702400000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 40    coordinates: [  0.164780660000000,  0.006743340000000,  0.838964260000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 41    coordinates: [  0.993256660000000,  0.158037330000000,  0.838964260000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 42    coordinates: [  0.841962670000000,  0.835219340000000,  0.838964260000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 43    coordinates: [  0.616996020000000,  0.552303070000000,  0.883659460000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 44    coordinates: [  0.447696930000000,  0.064692960000000,  0.883659460000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 45    coordinates: [  0.935307040000000,  0.383003980000000,  0.883659460000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 46    coordinates: [  0.716337310000000,  0.114363600000000,  0.783007200000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 47    coordinates: [  0.885636400000000,  0.601973710000000,  0.783007200000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 48    coordinates: [  0.398026290000000,  0.283662690000000,  0.783007200000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Ge # 49    coordinates: [  0.835219340000000,  0.993256660000000,  0.161035740000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 50    coordinates: [  0.006743340000000,  0.841962670000000,  0.161035740000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 51    coordinates: [  0.158037330000000,  0.164780660000000,  0.161035740000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 52    coordinates: [  0.831447330000000,  0.340076670000000,  0.172297600000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 53    coordinates: [  0.659923330000000,  0.491370660000000,  0.172297600000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 54    coordinates: [  0.508629340000000,  0.168552670000000,  0.172297600000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 55    coordinates: [  0.283662690000000,  0.885636400000000,  0.216992800000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 56    coordinates: [  0.114363600000000,  0.398026290000000,  0.216992800000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 57    coordinates: [  0.601973710000000,  0.716337310000000,  0.216992800000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 58    coordinates: [  0.383003980000000,  0.447696930000000,  0.116340540000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 59    coordinates: [  0.552303070000000,  0.935307040000000,  0.116340540000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 60    coordinates: [  0.064692960000000,  0.616996020000000,  0.116340540000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Te # 61    coordinates: [  0.267789980000000,  0.880684160000000,  0.731350460000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 62    coordinates: [  0.119315840000000,  0.387105820000000,  0.731350460000000 ]    mass: 127.600000    reduced_to: 62  - symbol: Te # 63    coordinates: [  0.612894180000000,  0.732210020000000,  0.731350460000000 ]    mass: 127.600000    reduced_to: 63  - symbol: Te # 64    coordinates: [  0.732210020000000,  0.119315840000000,  0.268649540000000 ]    mass: 127.600000    reduced_to: 64  - symbol: Te # 65    coordinates: [  0.880684160000000,  0.612894180000000,  0.268649540000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 66    coordinates: [  0.387105820000000,  0.267789980000000,  0.268649540000000 ]    mass: 127.600000    reduced_to: 66  - symbol: Te # 67    coordinates: [  0.838810000000000,  0.017427460000000,  0.665930090000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 68    coordinates: [  0.982572540000000,  0.821382530000000,  0.665930090000000 ]    mass: 127.600000    reduced_to: 68  - symbol: Te # 69    coordinates: [  0.178617470000000,  0.161190000000000,  0.665930090000000 ]    mass: 127.600000    reduced_to: 69  - symbol: Te # 70    coordinates: [  0.161190000000000,  0.982572540000000,  0.334069910000000 ]    mass: 127.600000    reduced_to: 70  - symbol: Te # 71    coordinates: [  0.017427460000000,  0.178617470000000,  0.334069910000000 ]    mass: 127.600000    reduced_to: 71  - symbol: Te # 72    coordinates: [  0.821382530000000,  0.838810000000000,  0.334069910000000 ]    mass: 127.600000    reduced_to: 72  - symbol: Te # 73    coordinates: [  0.934456650000000,  0.214017490000000,  0.064683800000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 74    coordinates: [  0.785982510000000,  0.720439160000000,  0.064683800000000 ]    mass: 127.600000    reduced_to: 62  - symbol: Te # 75    coordinates: [  0.279560840000000,  0.065543350000000,  0.064683800000000 ]    mass: 127.600000    reduced_to: 63  - symbol: Te # 76    coordinates: [  0.398876690000000,  0.452649180000000,  0.601982870000000 ]    mass: 127.600000    reduced_to: 64  - symbol: Te # 77    coordinates: [  0.547350820000000,  0.946227510000000,  0.601982870000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 78    coordinates: [  0.053772490000000,  0.601123310000000,  0.601982870000000 ]    mass: 127.600000    reduced_to: 66  - symbol: Te # 79    coordinates: [  0.505476670000000,  0.350760790000000,  0.999263420000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 80    coordinates: [  0.649239210000000,  0.154715870000000,  0.999263420000000 ]    mass: 127.600000    reduced_to: 68  - symbol: Te # 81    coordinates: [  0.845284130000000,  0.494523330000000,  0.999263420000000 ]    mass: 127.600000    reduced_to: 69  - symbol: Te # 82    coordinates: [  0.827856660000000,  0.315905880000000,  0.667403250000000 ]    mass: 127.600000    reduced_to: 70  - symbol: Te # 83    coordinates: [  0.684094120000000,  0.511950800000000,  0.667403250000000 ]    mass: 127.600000    reduced_to: 71  - symbol: Te # 84    coordinates: [  0.488049200000000,  0.172143340000000,  0.667403250000000 ]    mass: 127.600000    reduced_to: 72  - symbol: Te # 85    coordinates: [  0.601123310000000,  0.547350820000000,  0.398017130000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 86    coordinates: [  0.452649180000000,  0.053772490000000,  0.398017130000000 ]    mass: 127.600000    reduced_to: 62  - symbol: Te # 87    coordinates: [  0.946227510000000,  0.398876690000000,  0.398017130000000 ]    mass: 127.600000    reduced_to: 63  - symbol: Te # 88    coordinates: [  0.065543350000000,  0.785982510000000,  0.935316200000000 ]    mass: 127.600000    reduced_to: 64  - symbol: Te # 89    coordinates: [  0.214017490000000,  0.279560840000000,  0.935316200000000 ]    mass: 127.600000    reduced_to: 65  - symbol: Te # 90    coordinates: [  0.720439160000000,  0.934456650000000,  0.935316200000000 ]    mass: 127.600000    reduced_to: 66  - symbol: Te # 91    coordinates: [  0.172143340000000,  0.684094120000000,  0.332596750000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 92    coordinates: [  0.315905880000000,  0.488049200000000,  0.332596750000000 ]    mass: 127.600000    reduced_to: 68  - symbol: Te # 93    coordinates: [  0.511950800000000,  0.827856660000000,  0.332596750000000 ]    mass: 127.600000    reduced_to: 69  - symbol: Te # 94    coordinates: [  0.494523330000000,  0.649239210000000,  0.000736580000000 ]    mass: 127.600000    reduced_to: 70  - symbol: Te # 95    coordinates: [  0.350760790000000,  0.845284130000000,  0.000736580000000 ]    mass: 127.600000    reduced_to: 71  - symbol: Te # 96    coordinates: [  0.154715870000000,  0.505476670000000,  0.000736580000000 ]    mass: 127.600000    reduced_to: 72supercell:  lattice:  - [    12.210932880000000,     0.000000010000000,     0.000000000000000 ] # a  - [    -6.105466450000000,    10.574978070000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.983014190000000 ] # c  points:  - symbol: Co # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.244737110000000 ]    mass: 58.933195    reduced_to: 1  - symbol: Co # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.755262890000000 ]    mass: 58.933195    reduced_to: 2  - symbol: Co # 3    coordinates: [  0.668203320000000,  0.833091130000000,  0.581215140000000 ]    mass: 58.933195    reduced_to: 3  - symbol: Co # 4    coordinates: [  0.166908870000000,  0.835112200000000,  0.581215140000000 ]    mass: 58.933195    reduced_to: 4  - symbol: Co # 5    coordinates: [  0.164887800000000,  0.331796680000000,  0.581215140000000 ]    mass: 58.933195    reduced_to: 5  - symbol: Co # 6    coordinates: [  0.331796680000000,  0.166908870000000,  0.418784860000000 ]    mass: 58.933195    reduced_to: 6  - symbol: Co # 7    coordinates: [  0.833091130000000,  0.164887800000000,  0.418784860000000 ]    mass: 58.933195    reduced_to: 7  - 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