# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/68f1771e-81c5-4fbf-8005-ee08c18c85c4/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 K4GeS4 / P-43n (218) / materials id 556627](https://mdr.nims.go.jp/datasets/f5d61822-4cec-4e3d-a76a-eceafea91506)

## 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: "P-43n"  number: 218  Hall_symbol: "P -4n 2 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    12.752806140000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.752806140000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.752806140000001 ] # c  points:  - symbol: K  # 1    coordinates: [  0.865618310000000,  0.650715320000000,  0.913580980000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.650715320000000,  0.086419020000000,  0.134381690000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.413580980000000,  0.849284680000000,  0.634381690000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.151787010000000,  0.151787010000000,  0.151787010000000 ]    mass: 39.098300  - symbol: K  # 5    coordinates: [  0.651787010000000,  0.348212990000000,  0.348212990000000 ]    mass: 39.098300  - symbol: K  # 6    coordinates: [  0.134381690000000,  0.349284680000000,  0.913580980000000 ]    mass: 39.098300  - symbol: K  # 7    coordinates: [  0.365618310000000,  0.586419020000000,  0.849284680000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.913580980000000,  0.865618310000000,  0.650715320000000 ]    mass: 39.098300  - symbol: K  # 9    coordinates: [  0.349284680000000,  0.086419020000000,  0.865618310000000 ]    mass: 39.098300  - symbol: K  # 10    coordinates: [  0.150715320000000,  0.634381690000000,  0.586419020000000 ]    mass: 39.098300  - symbol: K  # 11    coordinates: [  0.348212990000000,  0.651787010000000,  0.348212990000000 ]    mass: 39.098300  - symbol: K  # 12    coordinates: [  0.349284680000000,  0.913580980000000,  0.134381690000000 ]    mass: 39.098300  - symbol: K  # 13    coordinates: [  0.151787010000000,  0.848212990000000,  0.848212990000000 ]    mass: 39.098300  - symbol: K  # 14    coordinates: [  0.150715320000000,  0.365618310000000,  0.413580980000000 ]    mass: 39.098300  - symbol: K  # 15    coordinates: [  0.634381690000000,  0.586419020000000,  0.150715320000000 ]    mass: 39.098300  - symbol: K  # 16    coordinates: [  0.650715320000000,  0.913580980000000,  0.865618310000000 ]    mass: 39.098300  - symbol: K  # 17    coordinates: [  0.651787010000000,  0.651787010000000,  0.651787010000000 ]    mass: 39.098300  - symbol: K  # 18    coordinates: [  0.848212990000000,  0.848212990000000,  0.151787010000000 ]    mass: 39.098300  - symbol: K  # 19    coordinates: [  0.134381690000000,  0.650715320000000,  0.086419020000000 ]    mass: 39.098300  - symbol: K  # 20    coordinates: [  0.849284680000000,  0.365618310000000,  0.586419020000000 ]    mass: 39.098300  - symbol: K  # 21    coordinates: [  0.849284680000000,  0.634381690000000,  0.413580980000000 ]    mass: 39.098300  - symbol: K  # 22    coordinates: [  0.586419020000000,  0.849284680000000,  0.365618310000000 ]    mass: 39.098300  - symbol: K  # 23    coordinates: [  0.913580980000000,  0.134381690000000,  0.349284680000000 ]    mass: 39.098300  - symbol: K  # 24    coordinates: [  0.865618310000000,  0.349284680000000,  0.086419020000000 ]    mass: 39.098300  - symbol: K  # 25    coordinates: [  0.634381690000000,  0.413580980000000,  0.849284680000000 ]    mass: 39.098300  - symbol: K  # 26    coordinates: [  0.365618310000000,  0.413580980000000,  0.150715320000000 ]    mass: 39.098300  - symbol: K  # 27    coordinates: [  0.848212990000000,  0.151787010000000,  0.848212990000000 ]    mass: 39.098300  - symbol: K  # 28    coordinates: [  0.413580980000000,  0.150715320000000,  0.365618310000000 ]    mass: 39.098300  - symbol: K  # 29    coordinates: [  0.086419020000000,  0.865618310000000,  0.349284680000000 ]    mass: 39.098300  - symbol: K  # 30    coordinates: [  0.586419020000000,  0.150715320000000,  0.634381690000000 ]    mass: 39.098300  - symbol: K  # 31    coordinates: [  0.086419020000000,  0.134381690000000,  0.650715320000000 ]    mass: 39.098300  - symbol: K  # 32    coordinates: [  0.348212990000000,  0.348212990000000,  0.651787010000000 ]    mass: 39.098300  - symbol: Ge # 33    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 37    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 38    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 72.640000  - symbol: Ge # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: S  # 41    coordinates: [  0.345216190000000,  0.096248590000000,  0.610464150000000 ]    mass: 32.065000  - symbol: S  # 42    coordinates: [  0.399397220000000,  0.600602780000000,  0.600602780000000 ]    mass: 32.065000  - symbol: S  # 43    coordinates: [  0.889535850000000,  0.596248590000000,  0.154783810000000 ]    mass: 32.065000  - symbol: S  # 44    coordinates: [  0.154783810000000,  0.889535850000000,  0.596248590000000 ]    mass: 32.065000  - symbol: S  # 45    coordinates: [  0.399397220000000,  0.399397220000000,  0.399397220000000 ]    mass: 32.065000  - symbol: S  # 46    coordinates: [  0.100602780000000,  0.899397220000000,  0.100602780000000 ]    mass: 32.065000  - symbol: S  # 47    coordinates: [  0.845216190000000,  0.110464150000000,  0.596248590000000 ]    mass: 32.065000  - symbol: S  # 48    coordinates: [  0.610464150000000,  0.654783810000000,  0.903751410000000 ]    mass: 32.065000  - symbol: S  # 49    coordinates: [  0.596248590000000,  0.154783810000000,  0.889535850000000 ]    mass: 32.065000  - symbol: S  # 50    coordinates: [  0.845216190000000,  0.889535850000000,  0.403751410000000 ]    mass: 32.065000  - symbol: S  # 51    coordinates: [  0.389535850000000,  0.345216190000000,  0.903751410000000 ]    mass: 32.065000  - symbol: S  # 52    coordinates: [  0.610464150000000,  0.345216190000000,  0.096248590000000 ]    mass: 32.065000  - symbol: S  # 53    coordinates: [  0.096248590000000,  0.389535850000000,  0.654783810000000 ]    mass: 32.065000  - symbol: S  # 54    coordinates: [  0.110464150000000,  0.403751410000000,  0.154783810000000 ]    mass: 32.065000  - symbol: S  # 55    coordinates: [  0.654783810000000,  0.903751410000000,  0.610464150000000 ]    mass: 32.065000  - symbol: S  # 56    coordinates: [  0.403751410000000,  0.845216190000000,  0.889535850000000 ]    mass: 32.065000  - symbol: S  # 57    coordinates: [  0.110464150000000,  0.596248590000000,  0.845216190000000 ]    mass: 32.065000  - symbol: S  # 58    coordinates: [  0.903751410000000,  0.610464150000000,  0.654783810000000 ]    mass: 32.065000  - symbol: S  # 59    coordinates: [  0.899397220000000,  0.899397220000000,  0.899397220000000 ]    mass: 32.065000  - symbol: S  # 60    coordinates: [  0.096248590000000,  0.610464150000000,  0.345216190000000 ]    mass: 32.065000  - symbol: S  # 61    coordinates: [  0.389535850000000,  0.654783810000000,  0.096248590000000 ]    mass: 32.065000  - symbol: S  # 62    coordinates: [  0.899397220000000,  0.100602780000000,  0.100602780000000 ]    mass: 32.065000  - symbol: S  # 63    coordinates: [  0.154783810000000,  0.110464150000000,  0.403751410000000 ]    mass: 32.065000  - symbol: S  # 64    coordinates: [  0.600602780000000,  0.399397220000000,  0.600602780000000 ]    mass: 32.065000  - symbol: S  # 65    coordinates: [  0.403751410000000,  0.154783810000000,  0.110464150000000 ]    mass: 32.065000  - symbol: S  # 66    coordinates: [  0.600602780000000,  0.600602780000000,  0.399397220000000 ]    mass: 32.065000  - symbol: S  # 67    coordinates: [  0.345216190000000,  0.903751410000000,  0.389535850000000 ]    mass: 32.065000  - symbol: S  # 68    coordinates: [  0.889535850000000,  0.403751410000000,  0.845216190000000 ]    mass: 32.065000  - symbol: S  # 69    coordinates: [  0.596248590000000,  0.845216190000000,  0.110464150000000 ]    mass: 32.065000  - symbol: S  # 70    coordinates: [  0.903751410000000,  0.389535850000000,  0.345216190000000 ]    mass: 32.065000  - symbol: S  # 71    coordinates: [  0.654783810000000,  0.096248590000000,  0.389535850000000 ]    mass: 32.065000  - symbol: S  # 72    coordinates: [  0.100602780000000,  0.100602780000000,  0.899397220000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.078414114432700,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.078414114432700,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.078414114432700 ] # c*unit_cell:  lattice:  - [    12.752806140000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.752806140000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.752806140000001 ] # c  points:  - symbol: K  # 1    coordinates: [  0.865618310000000,  0.650715320000000,  0.913580980000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.650715320000000,  0.086419020000000,  0.134381690000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.413580980000000,  0.849284680000000,  0.634381690000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.151787010000000,  0.151787010000000,  0.151787010000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.651787010000000,  0.348212990000000,  0.348212990000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.134381690000000,  0.349284680000000,  0.913580980000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 7    coordinates: [  0.365618310000000,  0.586419020000000,  0.849284680000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.913580980000000,  0.865618310000000,  0.650715320000000 ]    mass: 39.098300    reduced_to: 8  - symbol: K  # 9    coordinates: [  0.349284680000000,  0.086419020000000,  0.865618310000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.150715320000000,  0.634381690000000,  0.586419020000000 ]    mass: 39.098300    reduced_to: 10  - symbol: K  # 11    coordinates: [  0.348212990000000,  0.651787010000000,  0.348212990000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 12    coordinates: [  0.349284680000000,  0.913580980000000,  0.134381690000000 ]    mass: 39.098300    reduced_to: 12  - symbol: K  # 13    coordinates: [  0.151787010000000,  0.848212990000000,  0.848212990000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.150715320000000,  0.365618310000000,  0.413580980000000 ]    mass: 39.098300    reduced_to: 14  - symbol: K  # 15    coordinates: [  0.634381690000000,  0.586419020000000,  0.150715320000000 ]    mass: 39.098300    reduced_to: 15  - symbol: K  # 16    coordinates: [  0.650715320000000,  0.913580980000000,  0.865618310000000 ]    mass: 39.098300    reduced_to: 16  - symbol: K  # 17    coordinates: [  0.651787010000000,  0.651787010000000,  0.651787010000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 18    coordinates: [  0.848212990000000,  0.848212990000000,  0.151787010000000 ]    mass: 39.098300    reduced_to: 18  - symbol: K  # 19    coordinates: [  0.134381690000000,  0.650715320000000,  0.086419020000000 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 20    coordinates: [  0.849284680000000,  0.365618310000000,  0.586419020000000 ]    mass: 39.098300    reduced_to: 20  - symbol: K  # 21    coordinates: [  0.849284680000000,  0.634381690000000,  0.413580980000000 ]    mass: 39.098300    reduced_to: 21  - symbol: K  # 22    coordinates: [  0.586419020000000,  0.849284680000000,  0.365618310000000 ]    mass: 39.098300    reduced_to: 22  - symbol: K  # 23    coordinates: [  0.913580980000000,  0.134381690000000,  0.349284680000000 ]    mass: 39.098300    reduced_to: 23  - symbol: K  # 24    coordinates: [  0.865618310000000,  0.349284680000000,  0.086419020000000 ]    mass: 39.098300    reduced_to: 24  - symbol: K  # 25    coordinates: [  0.634381690000000,  0.413580980000000,  0.849284680000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 26    coordinates: [  0.365618310000000,  0.413580980000000,  0.150715320000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 27    coordinates: [  0.848212990000000,  0.151787010000000,  0.848212990000000 ]    mass: 39.098300    reduced_to: 27  - symbol: K  # 28    coordinates: [  0.413580980000000,  0.150715320000000,  0.365618310000000 ]    mass: 39.098300    reduced_to: 28  - symbol: K  # 29    coordinates: [  0.086419020000000,  0.865618310000000,  0.349284680000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.586419020000000,  0.150715320000000,  0.634381690000000 ]    mass: 39.098300    reduced_to: 30  - symbol: K  # 31    coordinates: [  0.086419020000000,  0.134381690000000,  0.650715320000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.348212990000000,  0.348212990000000,  0.651787010000000 ]    mass: 39.098300    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Ge # 37    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 38    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 38  - symbol: Ge # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.345216190000000,  0.096248590000000,  0.610464150000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.399397220000000,  0.600602780000000,  0.600602780000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.889535850000000,  0.596248590000000,  0.154783810000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.154783810000000,  0.889535850000000,  0.596248590000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.399397220000000,  0.399397220000000,  0.399397220000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.100602780000000,  0.899397220000000,  0.100602780000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.845216190000000,  0.110464150000000,  0.596248590000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.610464150000000,  0.654783810000000,  0.903751410000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.596248590000000,  0.154783810000000,  0.889535850000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.845216190000000,  0.889535850000000,  0.403751410000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 51    coordinates: [  0.389535850000000,  0.345216190000000,  0.903751410000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.610464150000000,  0.345216190000000,  0.096248590000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.096248590000000,  0.389535850000000,  0.654783810000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.110464150000000,  0.403751410000000,  0.154783810000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 55    coordinates: [  0.654783810000000,  0.903751410000000,  0.610464150000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.403751410000000,  0.845216190000000,  0.889535850000000 ]    mass: 32.065000    reduced_to: 56  - symbol: S  # 57    coordinates: [  0.110464150000000,  0.596248590000000,  0.845216190000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.903751410000000,  0.610464150000000,  0.654783810000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 59    coordinates: [  0.899397220000000,  0.899397220000000,  0.899397220000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.096248590000000,  0.610464150000000,  0.345216190000000 ]    mass: 32.065000    reduced_to: 60  - symbol: S  # 61    coordinates: [  0.389535850000000,  0.654783810000000,  0.096248590000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.899397220000000,  0.100602780000000,  0.100602780000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 63    coordinates: [  0.154783810000000,  0.110464150000000,  0.403751410000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 64    coordinates: [  0.600602780000000,  0.399397220000000,  0.600602780000000 ]    mass: 32.065000    reduced_to: 64  - symbol: S  # 65    coordinates: [  0.403751410000000,  0.154783810000000,  0.110464150000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.600602780000000,  0.600602780000000,  0.399397220000000 ]    mass: 32.065000    reduced_to: 66  - symbol: S  # 67    coordinates: [  0.345216190000000,  0.903751410000000,  0.389535850000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 68    coordinates: [  0.889535850000000,  0.403751410000000,  0.845216190000000 ]    mass: 32.065000    reduced_to: 68  - symbol: S  # 69    coordinates: [  0.596248590000000,  0.845216190000000,  0.110464150000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 70    coordinates: [  0.903751410000000,  0.389535850000000,  0.345216190000000 ]    mass: 32.065000    reduced_to: 70  - symbol: S  # 71    coordinates: [  0.654783810000000,  0.096248590000000,  0.389535850000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 72    coordinates: [  0.100602780000000,  0.100602780000000,  0.899397220000000 ]    mass: 32.065000    reduced_to: 72supercell:  lattice:  - [    12.752806140000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.752806140000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.752806140000001 ] # c  points:  - symbol: K  # 1    coordinates: [  0.865618310000000,  0.650715320000000,  0.913580980000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.650715320000000,  0.086419020000000,  0.134381690000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.413580980000000,  0.849284680000000,  0.634381690000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.151787010000000,  0.151787010000000,  0.151787010000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.651787010000000,  0.348212990000000,  0.348212990000000 ]    mass: 39.098300    reduced_to: 5  - 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