# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1f72bb5f-2534-4128-a3ea-e1830c66ac53/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 CsSb2F7 / C2/c (15) / materials id 556583](https://mdr.nims.go.jp/datasets/0d967a11-4f8c-43c4-a7f9-83f2ca59bd60)

## 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:  - [     9.740572370000001,    -3.309055805000000,     0.051397185000000 ] # a  - [     9.740572370000001,     3.309055805000000,     0.051397185000000 ] # b  - [    -0.130525740000000,     0.000000000000000,     5.494395880000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Sb # 3    coordinates: [  0.685206640000000,  0.150895160000000,  0.037134980000000 ]    mass: 121.760000  - symbol: Sb # 4    coordinates: [  0.150895160000000,  0.685206640000000,  0.537134980000000 ]    mass: 121.760000  - symbol: Sb # 5    coordinates: [  0.849104840000000,  0.314793360000000,  0.462865020000000 ]    mass: 121.760000  - symbol: Sb # 6    coordinates: [  0.314793360000000,  0.849104840000000,  0.962865020000000 ]    mass: 121.760000  - symbol: F  # 7    coordinates: [  0.684178700000000,  0.467794380000000,  0.155570230000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.114163250000000,  0.149984430000000,  0.280084410000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.840836050000000,  0.516064010000000,  0.495234160000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.467794380000000,  0.684178700000000,  0.655570230000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.516064010000000,  0.840836050000000,  0.995234160000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.885836750000000,  0.850015570000000,  0.719915590000000 ]    mass: 18.998403  - symbol: F  # 13    coordinates: [  0.315821300000000,  0.532205620000000,  0.844429770000000 ]    mass: 18.998403  - symbol: F  # 14    coordinates: [  0.159163950000000,  0.483935990000000,  0.504765840000000 ]    mass: 18.998403  - symbol: F  # 15    coordinates: [  0.933460450000000,  0.066539550000000,  0.250000000000000 ]    mass: 18.998403  - symbol: F  # 16    coordinates: [  0.066539550000000,  0.933460450000000,  0.750000000000000 ]    mass: 18.998403  - symbol: F  # 17    coordinates: [  0.483935990000000,  0.159163950000000,  0.004765840000000 ]    mass: 18.998403  - symbol: F  # 18    coordinates: [  0.149984430000000,  0.114163250000000,  0.780084410000000 ]    mass: 18.998403  - symbol: F  # 19    coordinates: [  0.850015570000000,  0.885836750000000,  0.219915590000000 ]    mass: 18.998403  - symbol: F  # 20    coordinates: [  0.532205620000000,  0.315821300000000,  0.344429770000000 ]    mass: 18.998403  reciprocal_lattice: # without 2pi  - [     0.051325252037908,    -0.151100504030333,     0.001219290828191 ] # a*  - [     0.051325252037908,     0.151100504030333,     0.001219290828191 ] # b*  - [    -0.000960241501260,     0.000000000000000,     0.181980819293907 ] # c*unit_cell:  lattice:  - [    19.481144740000001,     0.000000000000000,     0.102794370000000 ] # a  - [     0.000000000000000,     6.618111610000000,     0.000000000000000 ] # b  - [    -0.130525740000000,     0.000000000000000,     5.494395880000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Sb # 5    coordinates: [  0.418050900000000,  0.732844260000000,  0.037134980000000 ]    mass: 121.760000    reduced_to: 5  - symbol: Sb # 6    coordinates: [  0.418050900000000,  0.267155740000000,  0.537134980000000 ]    mass: 121.760000    reduced_to: 6  - symbol: Sb # 7    coordinates: [  0.081949100000000,  0.232844260000000,  0.462865020000000 ]    mass: 121.760000    reduced_to: 7  - symbol: Sb # 8    coordinates: [  0.081949100000000,  0.767155740000000,  0.962865020000000 ]    mass: 121.760000    reduced_to: 8  - symbol: Sb # 9    coordinates: [  0.918050900000000,  0.232844260000000,  0.037134980000000 ]    mass: 121.760000    reduced_to: 5  - symbol: Sb # 10    coordinates: [  0.918050900000000,  0.767155740000000,  0.537134980000000 ]    mass: 121.760000    reduced_to: 6  - symbol: Sb # 11    coordinates: [  0.581949100000000,  0.732844260000000,  0.462865020000000 ]    mass: 121.760000    reduced_to: 7  - symbol: Sb # 12    coordinates: [  0.581949100000000,  0.267155740000000,  0.962865020000000 ]    mass: 121.760000    reduced_to: 8  - symbol: F  # 13    coordinates: [  0.075986540000000,  0.391807840000000,  0.155570230000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.132073840000000,  0.017910590000000,  0.280084410000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 15    coordinates: [  0.178450030000000,  0.337613980000000,  0.495234160000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.075986540000000,  0.608192160000000,  0.655570230000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.178450030000000,  0.662386020000000,  0.995234160000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.367926160000000,  0.482089410000000,  0.719915590000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.424013460000000,  0.108192160000000,  0.844429770000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.321549970000000,  0.162386020000000,  0.504765840000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.000000000000000,  0.066539550000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.500000000000000,  0.433460450000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.321549970000000,  0.837613980000000,  0.004765840000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.132073840000000,  0.982089410000000,  0.780084410000000 ]    mass: 18.998403    reduced_to: 24  - symbol: F  # 25    coordinates: [  0.367926160000000,  0.517910590000000,  0.219915590000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.424013460000000,  0.891807840000000,  0.344429770000000 ]    mass: 18.998403    reduced_to: 26  - symbol: F  # 27    coordinates: [  0.575986540000000,  0.891807840000000,  0.155570230000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 28    coordinates: [  0.632073840000000,  0.517910590000000,  0.280084410000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 29    coordinates: [  0.678450030000000,  0.837613980000000,  0.495234160000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 30    coordinates: [  0.575986540000000,  0.108192160000000,  0.655570230000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 31    coordinates: [  0.678450030000000,  0.162386020000000,  0.995234160000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 32    coordinates: [  0.867926160000000,  0.982089410000000,  0.719915590000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 33    coordinates: [  0.924013460000000,  0.608192160000000,  0.844429770000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 34    coordinates: [  0.821549970000000,  0.662386020000000,  0.504765840000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 35    coordinates: [  0.500000000000000,  0.566539550000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 36    coordinates: [  0.000000000000000,  0.933460450000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 37    coordinates: [  0.821549970000000,  0.337613980000000,  0.004765840000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 38    coordinates: [  0.632073840000000,  0.482089410000000,  0.780084410000000 ]    mass: 18.998403    reduced_to: 24  - symbol: F  # 39    coordinates: [  0.867926160000000,  0.017910590000000,  0.219915590000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 40    coordinates: [  0.924013460000000,  0.391807840000000,  0.344429770000000 ]    mass: 18.998403    reduced_to: 26supercell:  lattice:  - [    19.481144740000001,     0.000000000000000,     0.102794370000000 ] # a  - [     0.000000000000000,     6.618111610000000,     0.000000000000000 ] # b  - [    -0.261051480000000,     0.000000000000000,    10.988791760000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 4    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 5    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Sb # 9    coordinates: [  0.418050900000000,  0.732844260000000,  0.018567490000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 10    coordinates: [  0.418050900000000,  0.732844260000000,  0.518567490000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 11    coordinates: [  0.418050900000000,  0.267155740000000,  0.268567490000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 12    coordinates: [  0.418050900000000,  0.267155740000000,  0.768567490000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 13    coordinates: [  0.081949100000000,  0.232844260000000,  0.231432510000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.081949100000000,  0.232844260000000,  0.731432510000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 15    coordinates: [  0.081949100000000,  0.767155740000000,  0.481432510000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.081949100000000,  0.767155740000000,  0.981432510000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 17    coordinates: [  0.918050900000000,  0.232844260000000,  0.018567490000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 18    coordinates: [  0.918050900000000,  0.232844260000000,  0.518567490000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 19    coordinates: [  0.918050900000000,  0.767155740000000,  0.268567490000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 20    coordinates: [  0.918050900000000,  0.767155740000000,  0.768567490000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 21    coordinates: [  0.581949100000000,  0.732844260000000,  0.231432510000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 22    coordinates: [  0.581949100000000,  0.732844260000000,  0.731432510000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 23    coordinates: [  0.581949100000000,  0.267155740000000,  0.481432510000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 24    coordinates: [  0.581949100000000,  0.267155740000000,  0.981432510000000 ]    mass: 121.760000    reduced_to: 15  - symbol: F  # 25    coordinates: [  0.075986540000000,  0.391807840000000,  0.077785115000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.075986540000000,  0.391807840000000,  0.577785115000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.132073840000000,  0.017910590000000,  0.140042205000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.132073840000000,  0.017910590000000,  0.640042205000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 29    coordinates: [  0.178450030000000,  0.337613980000000,  0.247617080000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.178450030000000,  0.337613980000000,  0.747617080000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 31    coordinates: [  0.075986540000000,  0.608192160000000,  0.327785115000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 32    coordinates: [  0.075986540000000,  0.608192160000000,  0.827785115000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 33    coordinates: [  0.178450030000000,  0.662386020000000,  0.497617080000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.178450030000000,  0.662386020000000,  0.997617080000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.367926160000000,  0.482089410000000,  0.359957795000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 36    coordinates: [  0.367926160000000,  0.482089410000000,  0.859957795000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 37    coordinates: [  0.424013460000000,  0.108192160000000,  0.422214885000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.424013460000000,  0.108192160000000,  0.922214885000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 39    coordinates: [  0.321549970000000,  0.162386020000000,  0.252382920000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 40    coordinates: [  0.321549970000000,  0.162386020000000,  0.752382920000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 41    coordinates: [  0.000000000000000,  0.066539550000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.000000000000000,  0.066539550000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 43    coordinates: [  0.500000000000000,  0.433460450000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 44    coordinates: [  0.500000000000000,  0.433460450000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 45    coordinates: [  0.321549970000000,  0.837613980000000,  0.002382920000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 46    coordinates: [  0.321549970000000,  0.837613980000000,  0.502382920000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 47    coordinates: [  0.132073840000000,  0.982089410000000,  0.390042205000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 48    coordinates: [  0.132073840000000,  0.982089410000000,  0.890042205000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 49    coordinates: [  0.367926160000000,  0.517910590000000,  0.109957795000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.367926160000000,  0.517910590000000,  0.609957795000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 51    coordinates: [  0.424013460000000,  0.891807840000000,  0.172214885000000 ]    mass: 18.998403    reduced_to: 51  - symbol: F  # 52    coordinates: [  0.424013460000000,  0.891807840000000,  0.672214885000000 ]    mass: 18.998403    reduced_to: 51  - symbol: F  # 53    coordinates: [  0.575986540000000,  0.891807840000000,  0.077785115000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 54    coordinates: [  0.575986540000000,  0.891807840000000,  0.577785115000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 55    coordinates: [  0.632073840000000,  0.517910590000000,  0.140042205000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 56    coordinates: [  0.632073840000000,  0.517910590000000,  0.640042205000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 57    coordinates: [  0.678450030000000,  0.837613980000000,  0.247617080000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 58    coordinates: [  0.678450030000000,  0.837613980000000,  0.747617080000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 59    coordinates: [  0.575986540000000,  0.108192160000000,  0.327785115000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 60    coordinates: [  0.575986540000000,  0.108192160000000,  0.827785115000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 61    coordinates: [  0.678450030000000,  0.162386020000000,  0.497617080000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 62    coordinates: [  0.678450030000000,  0.162386020000000,  0.997617080000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 63    coordinates: [  0.867926160000000,  0.982089410000000,  0.359957795000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 64    coordinates: [  0.867926160000000,  0.982089410000000,  0.859957795000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 65    coordinates: [  0.924013460000000,  0.608192160000000,  0.422214885000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 66    coordinates: [  0.924013460000000,  0.608192160000000,  0.922214885000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 67    coordinates: [  0.821549970000000,  0.662386020000000,  0.252382920000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 68    coordinates: [  0.821549970000000,  0.662386020000000,  0.752382920000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 69    coordinates: [  0.500000000000000,  0.566539550000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 70    coordinates: [  0.500000000000000,  0.566539550000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 71    coordinates: [  0.000000000000000,  0.933460450000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 72    coordinates: [  0.000000000000000,  0.933460450000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 73    coordinates: [  0.821549970000000,  0.337613980000000,  0.002382920000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 74    coordinates: [  0.821549970000000,  0.337613980000000,  0.502382920000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 75    coordinates: [  0.632073840000000,  0.482089410000000,  0.390042205000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 76    coordinates: [  0.632073840000000,  0.482089410000000,  0.890042205000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 77    coordinates: [  0.867926160000000,  0.017910590000000,  0.109957795000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 78    coordinates: [  0.867926160000000,  0.017910590000000,  0.609957795000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 79    coordinates: [  0.924013460000000,  0.391807840000000,  0.172214885000000 ]    mass: 18.998403    reduced_to: 51  - symbol: F  # 80    coordinates: [  0.924013460000000,  0.391807840000000,  0.672214885000000 ]    mass: 18.998403    reduced_to: 51displacements:- atom:    1  displacement:    [   0.0099998607899313,  0.0000000000000000,  0.0000527653484283 ]  forces:  - [  -0.0204937800000000,  0.0010481100000000,  0.0005226800000000 ]  - 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