# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bc08a6b4-29e8-4697-85d4-67e225a4b877/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 RbSbF6 / R-3 (148) / materials id 9821](https://mdr.nims.go.jp/datasets/b7e28376-f10b-4859-9f0f-fdb9473c5bdb)

## 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:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.853254816666671,     2.224677709999998,     2.589655786666664 ] # a  - [    -3.853254823333329,     2.224677689999998,     2.589655786666664 ] # b  - [     0.000000006666670,    -4.449355400000002,     2.589655786666664 ] # c  points:  - symbol: F  # 1    coordinates: [  0.304457490000000,  0.921202650000001,  0.210411480000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.921202650000000,  0.210411480000001,  0.304457490000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.789588520000000,  0.695542510000002,  0.078797350000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.078797350000000,  0.789588520000002,  0.695542510000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.695542510000000,  0.078797350000002,  0.789588520000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.210411480000000,  0.304457490000001,  0.921202650000000 ]    mass: 18.998403  - symbol: Rb # 7    coordinates: [  0.500000000000000,  0.500000000000001,  0.500000000000000 ]    mass: 85.467800  - symbol: Sb # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.129760429197576,     0.074917219289429,     0.128717235336666 ] # a*  - [    -0.129760429586427,     0.074917218900577,     0.128717235336667 ] # b*  - [     0.000000000388852,    -0.149834438190005,     0.128717235336666 ] # c*unit_cell:  lattice:  - [     7.706509640000000,     0.000000020000000,     0.000000000000000 ] # a  - [    -3.853254830000000,     6.674033090000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.768967360000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.825766950000000,  0.268279060000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.442512110000000,  0.174233050000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.268279060000000,  0.442512110000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.557487890000000,  0.825766950000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.174233050000000,  0.731720940000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.731720940000000,  0.557487890000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.492433620000000,  0.601612390000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.109178780000000,  0.507566380000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 9    coordinates: [  0.934945720000000,  0.775845440000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 10    coordinates: [  0.224154560000000,  0.159100280000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.840899720000000,  0.065054280000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.398387610000000,  0.890821220000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 13    coordinates: [  0.159100280000000,  0.934945720000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 14    coordinates: [  0.775845440000000,  0.840899720000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 15    coordinates: [  0.601612390000000,  0.109178780000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 16    coordinates: [  0.890821220000000,  0.492433620000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.507566380000000,  0.398387610000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 18    coordinates: [  0.065054280000000,  0.224154560000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 6  - symbol: Rb # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 19  - symbol: Rb # 20    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 85.467800    reduced_to: 19  - symbol: Rb # 21    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 85.467800    reduced_to: 19  - symbol: Sb # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 24    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 22supercell:  lattice:  - [    15.413019280000000,     0.000000040000000,     0.000000000000000 ] # a  - [    -7.706509660000000,    13.348066180000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.768967360000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.412883475000000,  0.134139530000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.912883475000000,  0.134139530000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.412883475000000,  0.634139530000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.912883475000000,  0.634139530000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.221256055000000,  0.087116525000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.721256055000000,  0.087116525000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 7    coordinates: [  0.221256055000000,  0.587116525000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 8    coordinates: [  0.721256055000000,  0.587116525000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 9    coordinates: [  0.134139530000000,  0.221256055000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.634139530000000,  0.221256055000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.134139530000000,  0.721256055000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 12    coordinates: [  0.634139530000000,  0.721256055000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 13    coordinates: [  0.278743945000000,  0.412883475000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.778743945000000,  0.412883475000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.278743945000000,  0.912883475000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 16    coordinates: [  0.778743945000000,  0.912883475000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 17    coordinates: [  0.087116525000000,  0.365860470000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.587116525000000,  0.365860470000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.087116525000000,  0.865860470000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 20    coordinates: [  0.587116525000000,  0.865860470000000,  0.521309460000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 21    coordinates: [  0.365860470000000,  0.278743945000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.865860470000000,  0.278743945000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.365860470000000,  0.778743945000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 24    coordinates: [  0.865860470000000,  0.778743945000000,  0.478690540000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 25    coordinates: [  0.246216810000000,  0.300806195000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 26    coordinates: [  0.746216810000000,  0.300806195000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 27    coordinates: [  0.246216810000000,  0.800806195000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 28    coordinates: [  0.746216810000000,  0.800806195000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 29    coordinates: [  0.054589390000000,  0.253783190000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 30    coordinates: [  0.554589390000000,  0.253783190000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 31    coordinates: [  0.054589390000000,  0.753783190000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 32    coordinates: [  0.554589390000000,  0.753783190000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 33    coordinates: [  0.467472860000000,  0.387922720000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 34    coordinates: [  0.967472860000000,  0.387922720000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 35    coordinates: [  0.467472860000000,  0.887922720000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 36    coordinates: [  0.967472860000000,  0.887922720000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 37    coordinates: [  0.112077280000000,  0.079550140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 38    coordinates: [  0.612077280000000,  0.079550140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 39    coordinates: [  0.112077280000000,  0.579550140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 40    coordinates: [  0.612077280000000,  0.579550140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 41    coordinates: [  0.420449860000000,  0.032527140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 42    coordinates: [  0.920449860000000,  0.032527140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 43    coordinates: [  0.420449860000000,  0.532527140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 44    coordinates: [  0.920449860000000,  0.532527140000000,  0.854642790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 45    coordinates: [  0.199193805000000,  0.445410610000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 46    coordinates: [  0.699193805000000,  0.445410610000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 47    coordinates: [  0.199193805000000,  0.945410610000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 48    coordinates: [  0.699193805000000,  0.945410610000000,  0.812023880000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 49    coordinates: [  0.079550140000000,  0.467472860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 50    coordinates: [  0.579550140000000,  0.467472860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 51    coordinates: [  0.079550140000000,  0.967472860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 52    coordinates: [  0.579550140000000,  0.967472860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 53    coordinates: [  0.387922720000000,  0.420449860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 54    coordinates: [  0.887922720000000,  0.420449860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 55    coordinates: [  0.387922720000000,  0.920449860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 56    coordinates: [  0.887922720000000,  0.920449860000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 57    coordinates: [  0.300806195000000,  0.054589390000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 58    coordinates: [  0.800806195000000,  0.054589390000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 59    coordinates: [  0.300806195000000,  0.554589390000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 60    coordinates: [  0.800806195000000,  0.554589390000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 61    coordinates: [  0.445410610000000,  0.246216810000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 62    coordinates: [  0.945410610000000,  0.246216810000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 63    coordinates: [  0.445410610000000,  0.746216810000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 64    coordinates: [  0.945410610000000,  0.746216810000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 65    coordinates: [  0.253783190000000,  0.199193805000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 66    coordinates: [  0.753783190000000,  0.199193805000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 67    coordinates: [  0.253783190000000,  0.699193805000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 68    coordinates: [  0.753783190000000,  0.699193805000000,  0.187976120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 69    coordinates: [  0.032527140000000,  0.112077280000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 70    coordinates: [  0.532527140000000,  0.112077280000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 71    coordinates: [  0.032527140000000,  0.612077280000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 72    coordinates: [  0.532527140000000,  0.612077280000000,  0.145357210000000 ]    mass: 18.998403    reduced_to: 21  - symbol: Rb # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 74    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 75    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 76    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 77    coordinates: [  0.333333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 78    coordinates: [  0.833333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 79    coordinates: [  0.333333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 80    coordinates: [  0.833333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 81    coordinates: [  0.166666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 82    coordinates: [  0.666666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 83    coordinates: [  0.166666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Rb # 84    coordinates: [  0.666666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 85.467800    reduced_to: 73  - symbol: Sb # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 89    coordinates: [  0.333333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 90    coordinates: [  0.833333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 91    coordinates: [  0.333333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 92    coordinates: [  0.833333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 85  - symbol: Sb # 93    coordinates: [  0.166666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 85  - 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