# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/785fbab1-87c5-4798-bed3-7a246a41e6cb/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 CsSbF4 / Pbam (55) / materials id 29296](https://mdr.nims.go.jp/datasets/5ed2eb59-3a36-4d66-9570-d26d5368fcc2)

## 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: "Pbam"  number: 55  Hall_symbol: "-P 2 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     9.615591640000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.584896740000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.290055130000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.838912780000000,  0.449205930000000,  0.224886810000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.161087220000000,  0.550794070000000,  0.224886810000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.338912780000000,  0.050794070000000,  0.775113190000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.661087220000000,  0.949205930000000,  0.775113190000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.161087220000000,  0.550794070000000,  0.775113190000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.838912780000000,  0.449205930000000,  0.775113190000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.661087220000000,  0.949205930000000,  0.224886810000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.338912780000000,  0.050794070000000,  0.224886810000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.164681480000000,  0.404108470000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.835318520000000,  0.595891530000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.664681480000000,  0.095891530000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.335318520000000,  0.904108470000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 13    coordinates: [  0.617861250000000,  0.581553270000000,  0.255189560000000 ]    mass: 18.998403  - symbol: F  # 14    coordinates: [  0.382138750000000,  0.418446730000000,  0.255189560000000 ]    mass: 18.998403  - symbol: F  # 15    coordinates: [  0.117861250000000,  0.918446730000000,  0.744810440000000 ]    mass: 18.998403  - symbol: F  # 16    coordinates: [  0.882138750000000,  0.081553270000000,  0.744810440000000 ]    mass: 18.998403  - symbol: F  # 17    coordinates: [  0.114117070000000,  0.782197070000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 18    coordinates: [  0.885882930000000,  0.217802930000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 19    coordinates: [  0.614117070000000,  0.717802930000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 20    coordinates: [  0.385882930000000,  0.282197070000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 21    coordinates: [  0.889653630000000,  0.792608240000000,  0.272303700000000 ]    mass: 18.998403  - symbol: F  # 22    coordinates: [  0.110346370000000,  0.207391760000000,  0.272303700000000 ]    mass: 18.998403  - symbol: F  # 23    coordinates: [  0.389653630000000,  0.707391760000000,  0.727696300000000 ]    mass: 18.998403  - symbol: F  # 24    coordinates: [  0.610346370000000,  0.292608240000000,  0.727696300000000 ]    mass: 18.998403  - symbol: F  # 25    coordinates: [  0.110346370000000,  0.207391760000000,  0.727696300000000 ]    mass: 18.998403  - symbol: F  # 26    coordinates: [  0.889653630000000,  0.792608240000000,  0.727696300000000 ]    mass: 18.998403  - symbol: F  # 27    coordinates: [  0.610346370000000,  0.292608240000000,  0.272303700000000 ]    mass: 18.998403  - symbol: F  # 28    coordinates: [  0.389653630000000,  0.707391760000000,  0.272303700000000 ]    mass: 18.998403  - symbol: F  # 29    coordinates: [  0.117861250000000,  0.918446730000000,  0.255189560000000 ]    mass: 18.998403  - symbol: F  # 30    coordinates: [  0.882138750000000,  0.081553270000000,  0.255189560000000 ]    mass: 18.998403  - symbol: F  # 31    coordinates: [  0.617861250000000,  0.581553270000000,  0.744810440000000 ]    mass: 18.998403  - symbol: F  # 32    coordinates: [  0.382138750000000,  0.418446730000000,  0.744810440000000 ]    mass: 18.998403  - symbol: Sb # 33    coordinates: [  0.289001260000000,  0.503698920000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 34    coordinates: [  0.710998740000000,  0.496301080000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 35    coordinates: [  0.789001260000000,  0.996301080000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 36    coordinates: [  0.210998740000000,  0.003698920000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 37    coordinates: [  0.531748290000000,  0.370714990000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 38    coordinates: [  0.468251710000000,  0.629285010000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 39    coordinates: [  0.031748290000000,  0.129285010000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 40    coordinates: [  0.968251710000000,  0.870714990000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Cs # 41    coordinates: [  0.905822130000000,  0.614241660000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Cs # 42    coordinates: [  0.094177870000000,  0.385758340000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Cs # 43    coordinates: [  0.405822130000000,  0.885758340000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Cs # 44    coordinates: [  0.594177870000000,  0.114241660000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Cs # 45    coordinates: [  0.140478340000000,  0.739719250000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Cs # 46    coordinates: [  0.859521660000000,  0.260280750000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Cs # 47    coordinates: [  0.640478340000000,  0.760280750000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Cs # 48    coordinates: [  0.359521660000000,  0.239719250000000,  0.000000000000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.103997760869970,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.064164685636538,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.158981118500944 ] # c*unit_cell:  lattice:  - [     9.615591640000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.584896740000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.290055130000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.838912780000000,  0.449205930000000,  0.224886810000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.161087220000000,  0.550794070000000,  0.224886810000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.338912780000000,  0.050794070000000,  0.775113190000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.661087220000000,  0.949205930000000,  0.775113190000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.161087220000000,  0.550794070000000,  0.775113190000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.838912780000000,  0.449205930000000,  0.775113190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.661087220000000,  0.949205930000000,  0.224886810000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.338912780000000,  0.050794070000000,  0.224886810000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.164681480000000,  0.404108470000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.835318520000000,  0.595891530000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.664681480000000,  0.095891530000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.335318520000000,  0.904108470000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 13    coordinates: [  0.617861250000000,  0.581553270000000,  0.255189560000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.382138750000000,  0.418446730000000,  0.255189560000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 15    coordinates: [  0.117861250000000,  0.918446730000000,  0.744810440000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.882138750000000,  0.081553270000000,  0.744810440000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.114117070000000,  0.782197070000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.885882930000000,  0.217802930000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.614117070000000,  0.717802930000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.385882930000000,  0.282197070000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.889653630000000,  0.792608240000000,  0.272303700000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.110346370000000,  0.207391760000000,  0.272303700000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.389653630000000,  0.707391760000000,  0.727696300000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.610346370000000,  0.292608240000000,  0.727696300000000 ]    mass: 18.998403    reduced_to: 24  - symbol: F  # 25    coordinates: [  0.110346370000000,  0.207391760000000,  0.727696300000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.889653630000000,  0.792608240000000,  0.727696300000000 ]    mass: 18.998403    reduced_to: 26  - symbol: F  # 27    coordinates: [  0.610346370000000,  0.292608240000000,  0.272303700000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.389653630000000,  0.707391760000000,  0.272303700000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 29    coordinates: [  0.117861250000000,  0.918446730000000,  0.255189560000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.882138750000000,  0.081553270000000,  0.255189560000000 ]    mass: 18.998403    reduced_to: 30  - symbol: F  # 31    coordinates: [  0.617861250000000,  0.581553270000000,  0.744810440000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 32    coordinates: [  0.382138750000000,  0.418446730000000,  0.744810440000000 ]    mass: 18.998403    reduced_to: 32  - symbol: Sb # 33    coordinates: [  0.289001260000000,  0.503698920000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 33  - symbol: Sb # 34    coordinates: [  0.710998740000000,  0.496301080000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 34  - symbol: Sb # 35    coordinates: [  0.789001260000000,  0.996301080000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 35  - symbol: Sb # 36    coordinates: [  0.210998740000000,  0.003698920000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 36  - symbol: Sb # 37    coordinates: [  0.531748290000000,  0.370714990000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 37  - symbol: Sb # 38    coordinates: [  0.468251710000000,  0.629285010000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 38  - symbol: Sb # 39    coordinates: [  0.031748290000000,  0.129285010000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 39  - symbol: Sb # 40    coordinates: [  0.968251710000000,  0.870714990000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 40  - symbol: Cs # 41    coordinates: [  0.905822130000000,  0.614241660000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 41  - symbol: Cs # 42    coordinates: [  0.094177870000000,  0.385758340000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 42  - symbol: Cs # 43    coordinates: [  0.405822130000000,  0.885758340000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 43  - symbol: Cs # 44    coordinates: [  0.594177870000000,  0.114241660000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 44  - symbol: Cs # 45    coordinates: [  0.140478340000000,  0.739719250000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 45  - symbol: Cs # 46    coordinates: [  0.859521660000000,  0.260280750000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 46  - symbol: Cs # 47    coordinates: [  0.640478340000000,  0.760280750000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 47  - symbol: Cs # 48    coordinates: [  0.359521660000000,  0.239719250000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 48supercell:  lattice:  - [     9.615591640000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.584896740000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.580110260000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.838912780000000,  0.449205930000000,  0.112443405000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.838912780000000,  0.449205930000000,  0.612443405000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.161087220000000,  0.550794070000000,  0.112443405000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.161087220000000,  0.550794070000000,  0.612443405000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 5    coordinates: [  0.338912780000000,  0.050794070000000,  0.387556595000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.338912780000000,  0.050794070000000,  0.887556595000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 7    coordinates: [  0.661087220000000,  0.949205930000000,  0.387556595000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.661087220000000,  0.949205930000000,  0.887556595000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 9    coordinates: [  0.161087220000000,  0.550794070000000,  0.387556595000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.161087220000000,  0.550794070000000,  0.887556595000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.838912780000000,  0.449205930000000,  0.387556595000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.838912780000000,  0.449205930000000,  0.887556595000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 13    coordinates: [  0.661087220000000,  0.949205930000000,  0.112443405000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.661087220000000,  0.949205930000000,  0.612443405000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.338912780000000,  0.050794070000000,  0.112443405000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.338912780000000,  0.050794070000000,  0.612443405000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 17    coordinates: [  0.164681480000000,  0.404108470000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.164681480000000,  0.404108470000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.835318520000000,  0.595891530000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.835318520000000,  0.595891530000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 21    coordinates: [  0.664681480000000,  0.095891530000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.664681480000000,  0.095891530000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.335318520000000,  0.904108470000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.335318520000000,  0.904108470000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 25    coordinates: [  0.617861250000000,  0.581553270000000,  0.127594780000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.617861250000000,  0.581553270000000,  0.627594780000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.382138750000000,  0.418446730000000,  0.127594780000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.382138750000000,  0.418446730000000,  0.627594780000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 29    coordinates: [  0.117861250000000,  0.918446730000000,  0.372405220000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.117861250000000,  0.918446730000000,  0.872405220000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 31    coordinates: [  0.882138750000000,  0.081553270000000,  0.372405220000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 32    coordinates: [  0.882138750000000,  0.081553270000000,  0.872405220000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 33    coordinates: [  0.114117070000000,  0.782197070000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.114117070000000,  0.782197070000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.885882930000000,  0.217802930000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 35  - 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