# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/39268296-6e21-4c86-810d-b368a2b8177d/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 KBS2 / R-3c (167) / materials id 15012](https://mdr.nims.go.jp/datasets/7ed077cc-0e79-4c77-b37e-fd6a49e2ae72)

## 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-3c"  number: 167  Hall_symbol: "-R 3 2\"c"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,   2 ]primitive_cell:  lattice:  - [     7.792628476666673,     4.499076146666662,     2.817120489999997 ] # a  - [    -7.792628473333325,     4.499076146666662,     2.817120489999997 ] # b  - [    -0.000000003333325,    -8.998152293333337,     2.817120489999997 ] # c  points:  - symbol: B  # 1    coordinates: [  0.134909630000000,  0.365090360000002,  0.250000000000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.250000000000000,  0.134909640000003,  0.365090370000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.365090370000000,  0.250000000000001,  0.134909630000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.865090370000000,  0.634909630000002,  0.750000000000000 ]    mass: 10.811000  - symbol: B  # 5    coordinates: [  0.750000000000000,  0.865090370000001,  0.634909640000000 ]    mass: 10.811000  - symbol: B  # 6    coordinates: [  0.634909630000000,  0.750000000000000,  0.865090360000000 ]    mass: 10.811000  - symbol: S  # 7    coordinates: [  0.869478450000000,  0.750000000000002,  0.630521550000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.750000000000000,  0.630521560000001,  0.869478450000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.630521550000000,  0.869478440000000,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.130521550000000,  0.250000000000002,  0.369478440000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.250000000000000,  0.369478450000003,  0.130521560000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.369478450000000,  0.130521550000001,  0.250000000000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.521216370000000,  0.749999990000000,  0.978783630000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.750000000000000,  0.978783640000001,  0.521216370000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.978783630000000,  0.521216370000002,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.478783630000000,  0.250000000000001,  0.021216370000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.250000000000000,  0.021216380000003,  0.478783630000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.021216370000000,  0.478783620000002,  0.250000000000000 ]    mass: 32.065000  - symbol: K  # 19    coordinates: [  0.798049690000000,  0.701950300000002,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 20    coordinates: [  0.250000000000000,  0.798049700000003,  0.701950310000000 ]    mass: 39.098300  - symbol: K  # 21    coordinates: [  0.701950310000000,  0.250000000000001,  0.798049690000000 ]    mass: 39.098300  - symbol: K  # 22    coordinates: [  0.201950310000000,  0.298049690000002,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 23    coordinates: [  0.750000000000000,  0.201950320000001,  0.298049690000000 ]    mass: 39.098300  - symbol: K  # 24    coordinates: [  0.298049690000000,  0.749999990000000,  0.201950310000000 ]    mass: 39.098300  reciprocal_lattice: # without 2pi  - [     0.064163202647743,     0.037044642305779,     0.118324130798301 ] # a*  - [    -0.064163202647743,     0.037044642353317,     0.118324130798301 ] # b*  - [     0.000000000000000,    -0.074089284659096,     0.118324130798301 ] # c*unit_cell:  lattice:  - [    15.585256950000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.792628470000000,    13.497228440000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.451361470000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.551576300000000,  0.333333330000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.333333330000000,  0.551576300000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.115090370000000,  0.115090370000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.115090370000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.333333330000000,  0.781757030000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.551576300000000,  0.218242970000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 7    coordinates: [  0.218242970000000,  0.666666670000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 8    coordinates: [  0.000000000000000,  0.884909630000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 9    coordinates: [  0.781757030000000,  0.448423700000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 10    coordinates: [  0.781757030000000,  0.333333330000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 11    coordinates: [  0.000000000000000,  0.115090370000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 12    coordinates: [  0.218242970000000,  0.551576300000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 13    coordinates: [  0.884909630000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.666666670000000,  0.218242970000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 15    coordinates: [  0.448423700000000,  0.781757030000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 16    coordinates: [  0.448423700000000,  0.666666670000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 17    coordinates: [  0.666666670000000,  0.448423700000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 18    coordinates: [  0.884909630000000,  0.884909630000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 6  - symbol: S  # 19    coordinates: [  0.119478450000000,  0.119478450000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.333333330000000,  0.547188220000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.547188220000000,  0.333333330000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.547188220000000,  0.213854890000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.333333330000000,  0.786145110000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.119478450000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.437883040000000,  0.104549700000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.333333330000000,  0.895450300000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.228783630000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.228783630000000,  0.228783630000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.333333330000000,  0.437883040000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.437883040000000,  0.333333330000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.786145110000000,  0.452811780000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 32    coordinates: [  0.000000000000000,  0.880521550000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 33    coordinates: [  0.213854890000000,  0.666666670000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 34    coordinates: [  0.213854890000000,  0.547188220000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 35    coordinates: [  0.000000000000000,  0.119478450000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 36    coordinates: [  0.786145110000000,  0.333333330000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 37    coordinates: [  0.104549700000000,  0.437883040000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 38    coordinates: [  0.000000000000000,  0.228783630000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 39    coordinates: [  0.895450300000000,  0.333333330000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 40    coordinates: [  0.895450300000000,  0.562116960000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 41    coordinates: [  0.000000000000000,  0.771216370000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 42    coordinates: [  0.104549700000000,  0.666666670000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 43    coordinates: [  0.452811780000000,  0.786145110000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 44    coordinates: [  0.666666670000000,  0.213854890000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 45    coordinates: [  0.880521550000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 46    coordinates: [  0.880521550000000,  0.880521550000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 47    coordinates: [  0.666666670000000,  0.452811780000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 48    coordinates: [  0.452811780000000,  0.666666670000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 49    coordinates: [  0.771216370000000,  0.771216370000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 50    coordinates: [  0.666666670000000,  0.562116960000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 51    coordinates: [  0.562116960000000,  0.666666670000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 52    coordinates: [  0.562116960000000,  0.895450300000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 53    coordinates: [  0.666666670000000,  0.104549700000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 54    coordinates: [  0.771216370000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 30  - symbol: K  # 55    coordinates: [  0.214716360000000,  0.333333330000000,  0.583333330000000 ]    mass: 39.098300    reduced_to: 55  - symbol: K  # 56    coordinates: [  0.333333330000000,  0.214716360000000,  0.916666670000000 ]    mass: 39.098300    reduced_to: 56  - symbol: K  # 57    coordinates: [  0.451950310000000,  0.451950310000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.451950310000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 58  - symbol: K  # 59    coordinates: [  0.333333330000000,  0.118616980000000,  0.416666670000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 60    coordinates: [  0.214716360000000,  0.881383020000000,  0.083333330000000 ]    mass: 39.098300    reduced_to: 60  - symbol: K  # 61    coordinates: [  0.881383020000000,  0.666666670000000,  0.916666670000000 ]    mass: 39.098300    reduced_to: 55  - symbol: K  # 62    coordinates: [  0.000000000000000,  0.548049690000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 56  - symbol: K  # 63    coordinates: [  0.118616980000000,  0.785283640000000,  0.583333330000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 64    coordinates: [  0.118616980000000,  0.333333330000000,  0.083333330000000 ]    mass: 39.098300    reduced_to: 58  - symbol: K  # 65    coordinates: [  0.000000000000000,  0.451950310000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 66    coordinates: [  0.881383020000000,  0.214716360000000,  0.416666670000000 ]    mass: 39.098300    reduced_to: 60  - symbol: K  # 67    coordinates: [  0.548049690000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 55  - symbol: K  # 68    coordinates: [  0.666666670000000,  0.881383020000000,  0.583333330000000 ]    mass: 39.098300    reduced_to: 56  - symbol: K  # 69    coordinates: [  0.785283640000000,  0.118616980000000,  0.916666670000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 70    coordinates: [  0.785283640000000,  0.666666670000000,  0.416666670000000 ]    mass: 39.098300    reduced_to: 58  - symbol: K  # 71    coordinates: [  0.666666670000000,  0.785283640000000,  0.083333330000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 72    coordinates: [  0.548049690000000,  0.548049690000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 60supercell:  lattice:  - [    15.585256950000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.792628470000000,    13.497228440000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.902722940000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.551576300000000,  0.333333330000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.551576300000000,  0.333333330000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.333333330000000,  0.551576300000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.333333330000000,  0.551576300000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 5    coordinates: [  0.115090370000000,  0.115090370000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.115090370000000,  0.115090370000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 7    coordinates: [  0.115090370000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.115090370000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 9    coordinates: [  0.333333330000000,  0.781757030000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.333333330000000,  0.781757030000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 11    coordinates: [  0.551576300000000,  0.218242970000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 12    coordinates: [  0.551576300000000,  0.218242970000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 13    coordinates: [  0.218242970000000,  0.666666670000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.218242970000000,  0.666666670000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 15    coordinates: [  0.000000000000000,  0.884909630000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 16    coordinates: [  0.000000000000000,  0.884909630000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 17    coordinates: [  0.781757030000000,  0.448423700000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 18    coordinates: [  0.781757030000000,  0.448423700000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 19    coordinates: [  0.781757030000000,  0.333333330000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 20    coordinates: [  0.781757030000000,  0.333333330000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 21    coordinates: [  0.000000000000000,  0.115090370000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 22    coordinates: [  0.000000000000000,  0.115090370000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 23    coordinates: [  0.218242970000000,  0.551576300000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 24    coordinates: [  0.218242970000000,  0.551576300000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 25    coordinates: [  0.884909630000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 26    coordinates: [  0.884909630000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 27    coordinates: [  0.666666670000000,  0.218242970000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 28    coordinates: [  0.666666670000000,  0.218242970000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 29    coordinates: [  0.448423700000000,  0.781757030000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 30    coordinates: [  0.448423700000000,  0.781757030000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 5  - 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