# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3462025c-dc62-4828-9c80-2c4b9cb35a4f/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 K2Ge2PbS6 / C2/c (15) / materials id 561132](https://mdr.nims.go.jp/datasets/d275fc9b-6e6b-4186-95ea-507191f2ec41)

## 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: "C2/c"  number: 15  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,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.627708915000000,    -7.123472405000000,    -0.003805895000000 ] # a  - [     4.627708915000000,     7.123472405000000,    -0.003805895000000 ] # b  - [    -0.020378740000000,     0.000000000000000,     8.922009220000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.459032920000000,  0.735197560000000,  0.518537540000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.540967080000000,  0.264802440000000,  0.481462460000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.264802440000000,  0.540967080000000,  0.981462460000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.735197560000000,  0.459032920000000,  0.018537540000000 ]    mass: 39.098300  - symbol: Ge # 5    coordinates: [  0.342269450000000,  0.023855510000000,  0.061587470000000 ]    mass: 72.640000  - symbol: Ge # 6    coordinates: [  0.657730550000000,  0.976144490000000,  0.938412530000000 ]    mass: 72.640000  - symbol: Ge # 7    coordinates: [  0.976144490000000,  0.657730550000000,  0.438412530000000 ]    mass: 72.640000  - symbol: Ge # 8    coordinates: [  0.023855510000000,  0.342269450000000,  0.561587470000000 ]    mass: 72.640000  - symbol: Pb # 9    coordinates: [  0.983070180000000,  0.016929820000000,  0.250000000000000 ]    mass: 207.200000  - symbol: Pb # 10    coordinates: [  0.016929820000000,  0.983070180000000,  0.750000000000000 ]    mass: 207.200000  - symbol: S  # 11    coordinates: [  0.253967250000000,  0.344017530000000,  0.668247690000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.477520150000000,  0.083564070000000,  0.835018090000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.655982470000000,  0.746032750000000,  0.831752310000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.083564070000000,  0.477520150000000,  0.335018090000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.746032750000000,  0.655982470000000,  0.331752310000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.819418200000000,  0.084097940000000,  0.540438860000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.915902060000000,  0.180581800000000,  0.959561140000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.084097940000000,  0.819418200000000,  0.040438860000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.522479850000000,  0.916435930000000,  0.164981910000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.916435930000000,  0.522479850000000,  0.664981910000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.180581800000000,  0.915902060000000,  0.459561140000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.344017530000000,  0.253967250000000,  0.168247690000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.108045027987523,    -0.070190487387731,     0.000246785390976 ] # a*  - [     0.108045027987523,     0.070190487387731,     0.000246785390976 ] # b*  - [     0.000092178347198,     0.000000000000000,     0.112082587432988 ] # c*unit_cell:  lattice:  - [     9.255417830000001,     0.000000000000000,    -0.007611790000000 ] # a  - [     0.000000000000000,    14.246944810000000,     0.000000000000000 ] # b  - [    -0.020378740000000,     0.000000000000000,     8.922009220000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.097115240000000,  0.638082320000000,  0.518537540000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.902884760000000,  0.361917680000000,  0.481462460000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.902884760000000,  0.638082320000000,  0.981462460000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.097115240000000,  0.361917680000000,  0.018537540000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.597115240000000,  0.138082320000000,  0.518537540000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 6    coordinates: [  0.402884760000000,  0.861917680000000,  0.481462460000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 7    coordinates: [  0.402884760000000,  0.138082320000000,  0.981462460000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 8    coordinates: [  0.597115240000000,  0.861917680000000,  0.018537540000000 ]    mass: 39.098300    reduced_to: 4  - symbol: Ge # 9    coordinates: [  0.683062480000000,  0.340793030000000,  0.061587470000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.316937520000000,  0.659206970000000,  0.938412530000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.316937520000000,  0.340793030000000,  0.438412530000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.683062480000000,  0.659206970000000,  0.561587470000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.183062480000000,  0.840793030000000,  0.061587470000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 14    coordinates: [  0.816937520000000,  0.159206970000000,  0.938412530000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 15    coordinates: [  0.816937520000000,  0.840793030000000,  0.438412530000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 16    coordinates: [  0.183062480000000,  0.159206970000000,  0.561587470000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Pb # 17    coordinates: [  0.000000000000000,  0.016929820000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 17  - symbol: Pb # 18    coordinates: [  0.000000000000000,  0.983070180000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 18  - symbol: Pb # 19    coordinates: [  0.500000000000000,  0.516929820000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 17  - symbol: Pb # 20    coordinates: [  0.500000000000000,  0.483070180000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 18  - symbol: S  # 21    coordinates: [  0.798992390000000,  0.545025140000000,  0.668247690000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.780542110000000,  0.303021960000000,  0.835018090000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.201007610000000,  0.545025140000000,  0.831752310000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.780542110000000,  0.696978040000000,  0.335018090000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.201007610000000,  0.454974860000000,  0.331752310000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.951758070000000,  0.132339870000000,  0.540438860000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.048241930000000,  0.132339870000000,  0.959561140000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.951758070000000,  0.867660130000000,  0.040438860000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.219457890000000,  0.696978040000000,  0.164981910000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.219457890000000,  0.303021960000000,  0.664981910000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.048241930000000,  0.867660130000000,  0.459561140000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.798992390000000,  0.454974860000000,  0.168247690000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.298992390000000,  0.045025140000000,  0.668247690000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 34    coordinates: [  0.280542110000000,  0.803021960000000,  0.835018090000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 35    coordinates: [  0.701007610000000,  0.045025140000000,  0.831752310000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 36    coordinates: [  0.280542110000000,  0.196978040000000,  0.335018090000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 37    coordinates: [  0.701007610000000,  0.954974860000000,  0.331752310000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 38    coordinates: [  0.451758070000000,  0.632339870000000,  0.540438860000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 39    coordinates: [  0.548241930000000,  0.632339870000000,  0.959561140000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 40    coordinates: [  0.451758070000000,  0.367660130000000,  0.040438860000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 41    coordinates: [  0.719457890000000,  0.196978040000000,  0.164981910000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 42    coordinates: [  0.719457890000000,  0.803021960000000,  0.664981910000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 43    coordinates: [  0.548241930000000,  0.367660130000000,  0.459561140000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 44    coordinates: [  0.298992390000000,  0.954974860000000,  0.168247690000000 ]    mass: 32.065000    reduced_to: 32supercell:  lattice:  - [     9.255417830000001,     0.000000000000000,    -0.007611790000000 ] # a  - [     0.000000000000000,    14.246944810000000,     0.000000000000000 ] # b  - [    -0.040757480000000,     0.000000000000000,    17.844018439999999 ] # c  points:  - symbol: K  # 1    coordinates: [  0.097115240000000,  0.638082320000000,  0.259268770000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.097115240000000,  0.638082320000000,  0.759268770000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 3    coordinates: [  0.902884760000000,  0.361917680000000,  0.240731230000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.902884760000000,  0.361917680000000,  0.740731230000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 5    coordinates: [  0.902884760000000,  0.638082320000000,  0.490731230000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.902884760000000,  0.638082320000000,  0.990731230000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 7    coordinates: [  0.097115240000000,  0.361917680000000,  0.009268770000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.097115240000000,  0.361917680000000,  0.509268770000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 9    coordinates: [  0.597115240000000,  0.138082320000000,  0.259268770000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 10    coordinates: [  0.597115240000000,  0.138082320000000,  0.759268770000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 11    coordinates: [  0.402884760000000,  0.861917680000000,  0.240731230000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 12    coordinates: [  0.402884760000000,  0.861917680000000,  0.740731230000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 13    coordinates: [  0.402884760000000,  0.138082320000000,  0.490731230000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 14    coordinates: [  0.402884760000000,  0.138082320000000,  0.990731230000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 15    coordinates: [  0.597115240000000,  0.861917680000000,  0.009268770000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 16    coordinates: [  0.597115240000000,  0.861917680000000,  0.509268770000000 ]    mass: 39.098300    reduced_to: 7  - symbol: Ge # 17    coordinates: [  0.683062480000000,  0.340793030000000,  0.030793735000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.683062480000000,  0.340793030000000,  0.530793735000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 19    coordinates: [  0.316937520000000,  0.659206970000000,  0.469206265000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.316937520000000,  0.659206970000000,  0.969206265000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 21    coordinates: [  0.316937520000000,  0.340793030000000,  0.219206265000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.316937520000000,  0.340793030000000,  0.719206265000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 23    coordinates: [  0.683062480000000,  0.659206970000000,  0.280793735000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.683062480000000,  0.659206970000000,  0.780793735000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 25    coordinates: [  0.183062480000000,  0.840793030000000,  0.030793735000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 26    coordinates: [  0.183062480000000,  0.840793030000000,  0.530793735000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 27    coordinates: [  0.816937520000000,  0.159206970000000,  0.469206265000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 28    coordinates: [  0.816937520000000,  0.159206970000000,  0.969206265000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 29    coordinates: [  0.816937520000000,  0.840793030000000,  0.219206265000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 30    coordinates: [  0.816937520000000,  0.840793030000000,  0.719206265000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 31    coordinates: [  0.183062480000000,  0.159206970000000,  0.280793735000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 32    coordinates: [  0.183062480000000,  0.159206970000000,  0.780793735000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Pb # 33    coordinates: [  0.000000000000000,  0.016929820000000,  0.125000000000000 ]    mass: 207.200000    reduced_to: 33  - symbol: Pb # 34    coordinates: [  0.000000000000000,  0.016929820000000,  0.625000000000000 ]    mass: 207.200000    reduced_to: 33  - symbol: Pb # 35    coordinates: [  0.000000000000000,  0.983070180000000,  0.375000000000000 ]    mass: 207.200000    reduced_to: 35  - symbol: Pb # 36    coordinates: [  0.000000000000000,  0.983070180000000,  0.875000000000000 ]    mass: 207.200000    reduced_to: 35  - symbol: Pb # 37    coordinates: [  0.500000000000000,  0.516929820000000,  0.125000000000000 ]    mass: 207.200000    reduced_to: 33  - symbol: Pb # 38    coordinates: [  0.500000000000000,  0.516929820000000,  0.625000000000000 ]    mass: 207.200000    reduced_to: 33  - symbol: Pb # 39    coordinates: [  0.500000000000000,  0.483070180000000,  0.375000000000000 ]    mass: 207.200000    reduced_to: 35  - symbol: Pb # 40    coordinates: [  0.500000000000000,  0.483070180000000,  0.875000000000000 ]    mass: 207.200000    reduced_to: 35  - symbol: S  # 41    coordinates: [  0.798992390000000,  0.545025140000000,  0.334123845000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.798992390000000,  0.545025140000000,  0.834123845000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 43    coordinates: [  0.780542110000000,  0.303021960000000,  0.417509045000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.780542110000000,  0.303021960000000,  0.917509045000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.201007610000000,  0.545025140000000,  0.415876155000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.201007610000000,  0.545025140000000,  0.915876155000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 47    coordinates: [  0.780542110000000,  0.696978040000000,  0.167509045000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.780542110000000,  0.696978040000000,  0.667509045000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 49    coordinates: [  0.201007610000000,  0.454974860000000,  0.165876155000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.201007610000000,  0.454974860000000,  0.665876155000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.951758070000000,  0.132339870000000,  0.270219430000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.951758070000000,  0.132339870000000,  0.770219430000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 53    coordinates: [  0.048241930000000,  0.132339870000000,  0.479780570000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.048241930000000,  0.132339870000000,  0.979780570000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 55    coordinates: [  0.951758070000000,  0.867660130000000,  0.020219430000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.951758070000000,  0.867660130000000,  0.520219430000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.219457890000000,  0.696978040000000,  0.082490955000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.219457890000000,  0.696978040000000,  0.582490955000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 59    coordinates: [  0.219457890000000,  0.303021960000000,  0.332490955000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.219457890000000,  0.303021960000000,  0.832490955000000 ]    mass: 32.065000    reduced_to: 59  - 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