# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ecb8b38e-31af-44da-8fad-9eb3da6def45/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 K5SnSb3 / P2_1/c (14) / materials id 5367](https://mdr.nims.go.jp/datasets/d921a360-cd71-4022-b0f5-69da38d3d5f2)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.825834349999999,     0.000000000000000,    -0.028954910000000 ] # a  - [     0.000000000000000,     8.693461290000000,     0.000000000000000 ] # b  - [    -9.792512439999999,     0.000000000000000,    16.009205710000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.336308630000000,  0.837791960000000,  0.260227990000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.663691370000000,  0.337791960000000,  0.239772010000000 ]    mass: 39.098300  - symbol: K  # 3    coordinates: [  0.663691370000000,  0.162208040000000,  0.739772010000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.336308630000000,  0.662208040000000,  0.760227990000000 ]    mass: 39.098300  - symbol: K  # 5    coordinates: [  0.657118140000000,  0.826134000000000,  0.578229450000000 ]    mass: 39.098300  - symbol: K  # 6    coordinates: [  0.342881860000000,  0.326134000000000,  0.921770550000000 ]    mass: 39.098300  - symbol: K  # 7    coordinates: [  0.342881860000000,  0.173866000000000,  0.421770550000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.657118140000000,  0.673866000000000,  0.078229450000000 ]    mass: 39.098300  - symbol: K  # 9    coordinates: [  0.610944950000000,  0.997035400000000,  0.911696180000000 ]    mass: 39.098300  - symbol: K  # 10    coordinates: [  0.389055050000000,  0.497035400000000,  0.588303820000000 ]    mass: 39.098300  - symbol: K  # 11    coordinates: [  0.389055050000000,  0.002964600000000,  0.088303820000000 ]    mass: 39.098300  - symbol: K  # 12    coordinates: [  0.610944950000000,  0.502964600000000,  0.411696180000000 ]    mass: 39.098300  - symbol: K  # 13    coordinates: [  0.759211430000000,  0.481085250000000,  0.921867210000000 ]    mass: 39.098300  - symbol: K  # 14    coordinates: [  0.240788570000000,  0.981085250000000,  0.578132790000000 ]    mass: 39.098300  - symbol: K  # 15    coordinates: [  0.240788570000000,  0.518914750000000,  0.078132790000000 ]    mass: 39.098300  - symbol: K  # 16    coordinates: [  0.759211430000000,  0.018914750000000,  0.421867210000000 ]    mass: 39.098300  - symbol: K  # 17    coordinates: [  0.050856120000000,  0.005892670000000,  0.744412610000000 ]    mass: 39.098300  - symbol: K  # 18    coordinates: [  0.949143880000000,  0.505892670000000,  0.755587390000000 ]    mass: 39.098300  - symbol: K  # 19    coordinates: [  0.949143880000000,  0.994107330000000,  0.255587390000000 ]    mass: 39.098300  - symbol: K  # 20    coordinates: [  0.050856120000000,  0.494107330000000,  0.244412610000000 ]    mass: 39.098300  - symbol: Sn # 21    coordinates: [  0.985402870000000,  0.644044720000000,  0.412763200000000 ]    mass: 118.710000  - symbol: Sn # 22    coordinates: [  0.014597130000000,  0.144044720000000,  0.087236800000000 ]    mass: 118.710000  - symbol: Sn # 23    coordinates: [  0.014597130000000,  0.355955280000000,  0.587236800000000 ]    mass: 118.710000  - symbol: Sn # 24    coordinates: [  0.985402870000000,  0.855955280000000,  0.912763200000000 ]    mass: 118.710000  - symbol: Sb # 25    coordinates: [  0.261420800000000,  0.736719180000000,  0.919493110000000 ]    mass: 121.760000  - symbol: Sb # 26    coordinates: [  0.738579200000000,  0.236719180000000,  0.580506890000000 ]    mass: 121.760000  - symbol: Sb # 27    coordinates: [  0.738579200000000,  0.263280820000000,  0.080506890000000 ]    mass: 121.760000  - symbol: Sb # 28    coordinates: [  0.261420800000000,  0.763280820000000,  0.419493110000000 ]    mass: 121.760000  - symbol: Sb # 29    coordinates: [  0.983536270000000,  0.811185890000000,  0.065947530000000 ]    mass: 121.760000  - symbol: Sb # 30    coordinates: [  0.016463730000000,  0.311185890000000,  0.434052470000000 ]    mass: 121.760000  - symbol: Sb # 31    coordinates: [  0.016463730000000,  0.188814110000000,  0.934052470000000 ]    mass: 121.760000  - symbol: Sb # 32    coordinates: [  0.983536270000000,  0.688814110000000,  0.565947530000000 ]    mass: 121.760000  - symbol: Sb # 33    coordinates: [  0.690217460000000,  0.734230190000000,  0.270537840000000 ]    mass: 121.760000  - symbol: Sb # 34    coordinates: [  0.309782540000000,  0.234230190000000,  0.229462160000000 ]    mass: 121.760000  - symbol: Sb # 35    coordinates: [  0.309782540000000,  0.265769810000000,  0.729462160000000 ]    mass: 121.760000  - symbol: Sb # 36    coordinates: [  0.690217460000000,  0.765769810000000,  0.770537840000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.101956304870747,     0.000000000000000,     0.062364642060885 ] # a*  - [     0.000000000000000,     0.115028981741748,     0.000000000000000 ] # b*  - [     0.000184402379790,     0.000000000000000,     0.062576856137984 ] # c*unit_cell:  lattice:  - [     9.825834349999999,     0.000000000000000,    -0.028954910000000 ] # a  - [     0.000000000000000,     8.693461290000000,     0.000000000000000 ] # b  - [    -9.792512439999999,     0.000000000000000,    16.009205710000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.336308630000000,  0.837791960000000,  0.260227990000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.663691370000000,  0.337791960000000,  0.239772010000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.663691370000000,  0.162208040000000,  0.739772010000000 ]    mass: 39.098300    reduced_to: 3  - symbol: K  # 4    coordinates: [  0.336308630000000,  0.662208040000000,  0.760227990000000 ]    mass: 39.098300    reduced_to: 4  - symbol: K  # 5    coordinates: [  0.657118140000000,  0.826134000000000,  0.578229450000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.342881860000000,  0.326134000000000,  0.921770550000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 7    coordinates: [  0.342881860000000,  0.173866000000000,  0.421770550000000 ]    mass: 39.098300    reduced_to: 7  - symbol: K  # 8    coordinates: [  0.657118140000000,  0.673866000000000,  0.078229450000000 ]    mass: 39.098300    reduced_to: 8  - symbol: K  # 9    coordinates: [  0.610944950000000,  0.997035400000000,  0.911696180000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.389055050000000,  0.497035400000000,  0.588303820000000 ]    mass: 39.098300    reduced_to: 10  - symbol: K  # 11    coordinates: [  0.389055050000000,  0.002964600000000,  0.088303820000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 12    coordinates: [  0.610944950000000,  0.502964600000000,  0.411696180000000 ]    mass: 39.098300    reduced_to: 12  - symbol: K  # 13    coordinates: [  0.759211430000000,  0.481085250000000,  0.921867210000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.240788570000000,  0.981085250000000,  0.578132790000000 ]    mass: 39.098300    reduced_to: 14  - symbol: K  # 15    coordinates: [  0.240788570000000,  0.518914750000000,  0.078132790000000 ]    mass: 39.098300    reduced_to: 15  - symbol: K  # 16    coordinates: [  0.759211430000000,  0.018914750000000,  0.421867210000000 ]    mass: 39.098300    reduced_to: 16  - symbol: K  # 17    coordinates: [  0.050856120000000,  0.005892670000000,  0.744412610000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 18    coordinates: [  0.949143880000000,  0.505892670000000,  0.755587390000000 ]    mass: 39.098300    reduced_to: 18  - symbol: K  # 19    coordinates: [  0.949143880000000,  0.994107330000000,  0.255587390000000 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 20    coordinates: [  0.050856120000000,  0.494107330000000,  0.244412610000000 ]    mass: 39.098300    reduced_to: 20  - symbol: Sn # 21    coordinates: [  0.985402870000000,  0.644044720000000,  0.412763200000000 ]    mass: 118.710000    reduced_to: 21  - symbol: Sn # 22    coordinates: [  0.014597130000000,  0.144044720000000,  0.087236800000000 ]    mass: 118.710000    reduced_to: 22  - symbol: Sn # 23    coordinates: [  0.014597130000000,  0.355955280000000,  0.587236800000000 ]    mass: 118.710000    reduced_to: 23  - symbol: Sn # 24    coordinates: [  0.985402870000000,  0.855955280000000,  0.912763200000000 ]    mass: 118.710000    reduced_to: 24  - symbol: Sb # 25    coordinates: [  0.261420800000000,  0.736719180000000,  0.919493110000000 ]    mass: 121.760000    reduced_to: 25  - symbol: Sb # 26    coordinates: [  0.738579200000000,  0.236719180000000,  0.580506890000000 ]    mass: 121.760000    reduced_to: 26  - symbol: Sb # 27    coordinates: [  0.738579200000000,  0.263280820000000,  0.080506890000000 ]    mass: 121.760000    reduced_to: 27  - symbol: Sb # 28    coordinates: [  0.261420800000000,  0.763280820000000,  0.419493110000000 ]    mass: 121.760000    reduced_to: 28  - symbol: Sb # 29    coordinates: [  0.983536270000000,  0.811185890000000,  0.065947530000000 ]    mass: 121.760000    reduced_to: 29  - symbol: Sb # 30    coordinates: [  0.016463730000000,  0.311185890000000,  0.434052470000000 ]    mass: 121.760000    reduced_to: 30  - symbol: Sb # 31    coordinates: [  0.016463730000000,  0.188814110000000,  0.934052470000000 ]    mass: 121.760000    reduced_to: 31  - symbol: Sb # 32    coordinates: [  0.983536270000000,  0.688814110000000,  0.565947530000000 ]    mass: 121.760000    reduced_to: 32  - symbol: Sb # 33    coordinates: [  0.690217460000000,  0.734230190000000,  0.270537840000000 ]    mass: 121.760000    reduced_to: 33  - symbol: Sb # 34    coordinates: [  0.309782540000000,  0.234230190000000,  0.229462160000000 ]    mass: 121.760000    reduced_to: 34  - symbol: Sb # 35    coordinates: [  0.309782540000000,  0.265769810000000,  0.729462160000000 ]    mass: 121.760000    reduced_to: 35  - symbol: Sb # 36    coordinates: [  0.690217460000000,  0.765769810000000,  0.770537840000000 ]    mass: 121.760000    reduced_to: 36supercell:  lattice:  - [    19.651668699999998,     0.000000000000000,    -0.057909820000000 ] # a  - [     0.000000000000000,    17.386922580000000,     0.000000000000000 ] # b  - [    -9.792512439999999,     0.000000000000000,    16.009205710000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.168154315000000,  0.418895980000000,  0.260227990000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.668154315000000,  0.418895980000000,  0.260227990000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 3    coordinates: [  0.168154315000000,  0.918895980000000,  0.260227990000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 4    coordinates: [  0.668154315000000,  0.918895980000000,  0.260227990000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 5    coordinates: [  0.331845685000000,  0.168895980000000,  0.239772010000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.831845685000000,  0.168895980000000,  0.239772010000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 7    coordinates: [  0.331845685000000,  0.668895980000000,  0.239772010000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 8    coordinates: [  0.831845685000000,  0.668895980000000,  0.239772010000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 9    coordinates: [  0.331845685000000,  0.081104020000000,  0.739772010000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.831845685000000,  0.081104020000000,  0.739772010000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.331845685000000,  0.581104020000000,  0.739772010000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 12    coordinates: [  0.831845685000000,  0.581104020000000,  0.739772010000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 13    coordinates: [  0.168154315000000,  0.331104020000000,  0.760227990000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.668154315000000,  0.331104020000000,  0.760227990000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 15    coordinates: [  0.168154315000000,  0.831104020000000,  0.760227990000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 16    coordinates: [  0.668154315000000,  0.831104020000000,  0.760227990000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 17    coordinates: [  0.328559070000000,  0.413067000000000,  0.578229450000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 18    coordinates: [  0.828559070000000,  0.413067000000000,  0.578229450000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 19    coordinates: [  0.328559070000000,  0.913067000000000,  0.578229450000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 20    coordinates: [  0.828559070000000,  0.913067000000000,  0.578229450000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 21    coordinates: [  0.171440930000000,  0.163067000000000,  0.921770550000000 ]    mass: 39.098300    reduced_to: 21  - symbol: K  # 22    coordinates: [  0.671440930000000,  0.163067000000000,  0.921770550000000 ]    mass: 39.098300    reduced_to: 21  - symbol: K  # 23    coordinates: [  0.171440930000000,  0.663067000000000,  0.921770550000000 ]    mass: 39.098300    reduced_to: 21  - symbol: K  # 24    coordinates: [  0.671440930000000,  0.663067000000000,  0.921770550000000 ]    mass: 39.098300    reduced_to: 21  - symbol: K  # 25    coordinates: [  0.171440930000000,  0.086933000000000,  0.421770550000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 26    coordinates: [  0.671440930000000,  0.086933000000000,  0.421770550000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 27    coordinates: [  0.171440930000000,  0.586933000000000,  0.421770550000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 28    coordinates: [  0.671440930000000,  0.586933000000000,  0.421770550000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 29    coordinates: [  0.328559070000000,  0.336933000000000,  0.078229450000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.828559070000000,  0.336933000000000,  0.078229450000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 31    coordinates: [  0.328559070000000,  0.836933000000000,  0.078229450000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 32    coordinates: [  0.828559070000000,  0.836933000000000,  0.078229450000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 33    coordinates: [  0.305472475000000,  0.498517700000000,  0.911696180000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.805472475000000,  0.498517700000000,  0.911696180000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 35    coordinates: [  0.305472475000000,  0.998517700000000,  0.911696180000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 36    coordinates: [  0.805472475000000,  0.998517700000000,  0.911696180000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 37    coordinates: [  0.194527525000000,  0.248517700000000,  0.588303820000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.694527525000000,  0.248517700000000,  0.588303820000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 39    coordinates: [  0.194527525000000,  0.748517700000000,  0.588303820000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 40    coordinates: [  0.694527525000000,  0.748517700000000,  0.588303820000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 41    coordinates: [  0.194527525000000,  0.001482300000000,  0.088303820000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.694527525000000,  0.001482300000000,  0.088303820000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 43    coordinates: [  0.194527525000000,  0.501482300000000,  0.088303820000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 44    coordinates: [  0.694527525000000,  0.501482300000000,  0.088303820000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 45    coordinates: [  0.305472475000000,  0.251482300000000,  0.411696180000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.805472475000000,  0.251482300000000,  0.411696180000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 47    coordinates: [  0.305472475000000,  0.751482300000000,  0.411696180000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 48    coordinates: [  0.805472475000000,  0.751482300000000,  0.411696180000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 49    coordinates: [  0.379605715000000,  0.240542625000000,  0.921867210000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.879605715000000,  0.240542625000000,  0.921867210000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 51    coordinates: [  0.379605715000000,  0.740542625000000,  0.921867210000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 52    coordinates: [  0.879605715000000,  0.740542625000000,  0.921867210000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 53    coordinates: [  0.120394285000000,  0.490542625000000,  0.578132790000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 54    coordinates: [  0.620394285000000,  0.490542625000000,  0.578132790000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 55    coordinates: [  0.120394285000000,  0.990542625000000,  0.578132790000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 56    coordinates: [  0.620394285000000,  0.990542625000000,  0.578132790000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 57    coordinates: [  0.120394285000000,  0.259457375000000,  0.078132790000000 ]    mass: 39.098300    reduced_to: 57  - 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