# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9a6ddcc3-881d-4669-b283-cee0e1af2443/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 Rb2Bi4O7 / C2/c (15) / materials id 556735](https://mdr.nims.go.jp/datasets/4cbff71a-f22b-48a5-abbd-a8896153424f)

## 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,   1 ]primitive_cell:  lattice:  - [    10.220672244999999,    -6.442944225000000,    -0.042227475000000 ] # a  - [    10.220672244999999,     6.442944225000000,    -0.042227475000000 ] # b  - [    -1.201884310000000,     0.000000000000000,    15.481479179999999 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.368622190000000,  0.461955350000000,  0.289642800000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.977445320000000,  0.369178640000000,  0.790778440000000 ]    mass: 85.467800  - symbol: Rb # 3    coordinates: [  0.538044650000000,  0.631377810000000,  0.210357200000000 ]    mass: 85.467800  - symbol: Rb # 4    coordinates: [  0.457556840000000,  0.869673480000000,  0.790018300000000 ]    mass: 85.467800  - symbol: Rb # 5    coordinates: [  0.461955350000000,  0.368622190000000,  0.789642800000000 ]    mass: 85.467800  - symbol: Rb # 6    coordinates: [  0.022554680000000,  0.630821360000000,  0.209221560000000 ]    mass: 85.467800  - symbol: Rb # 7    coordinates: [  0.869673480000000,  0.457556840000000,  0.290018300000000 ]    mass: 85.467800  - symbol: Rb # 8    coordinates: [  0.132555970000000,  0.029008150000000,  0.713620560000000 ]    mass: 85.467800  - symbol: Rb # 9    coordinates: [  0.631377810000000,  0.538044650000000,  0.710357200000000 ]    mass: 85.467800  - symbol: Rb # 10    coordinates: [  0.630821360000000,  0.022554680000000,  0.709221560000000 ]    mass: 85.467800  - symbol: Rb # 11    coordinates: [  0.970991850000000,  0.867444030000000,  0.786379440000000 ]    mass: 85.467800  - symbol: Rb # 12    coordinates: [  0.542443160000000,  0.130326520000000,  0.209981700000000 ]    mass: 85.467800  - symbol: Rb # 13    coordinates: [  0.029008150000000,  0.132555970000000,  0.213620560000000 ]    mass: 85.467800  - symbol: Rb # 14    coordinates: [  0.867444030000000,  0.970991850000000,  0.286379440000000 ]    mass: 85.467800  - symbol: Rb # 15    coordinates: [  0.369178640000000,  0.977445320000000,  0.290778440000000 ]    mass: 85.467800  - symbol: Rb # 16    coordinates: [  0.130326520000000,  0.542443160000000,  0.709981700000000 ]    mass: 85.467800  - symbol: Bi # 17    coordinates: [  0.784931360000000,  0.700977360000000,  0.610828160000000 ]    mass: 208.980400  - symbol: Bi # 18    coordinates: [  0.605022050000000,  0.047657050000000,  0.965118150000000 ]    mass: 208.980400  - symbol: Bi # 19    coordinates: [  0.733637490000000,  0.782440570000000,  0.374817280000000 ]    mass: 208.980400  - symbol: Bi # 20    coordinates: [  0.217559430000000,  0.266362510000000,  0.125182720000000 ]    mass: 208.980400  - symbol: Bi # 21    coordinates: [  0.089761340000000,  0.598691340000000,  0.960171420000000 ]    mass: 208.980400  - symbol: Bi # 22    coordinates: [  0.089245790000000,  0.103084230000000,  0.962778470000000 ]    mass: 208.980400  - symbol: Bi # 23    coordinates: [  0.215068640000000,  0.299022640000000,  0.389171840000000 ]    mass: 208.980400  - symbol: Bi # 24    coordinates: [  0.761362840000000,  0.217431000000000,  0.619251290000000 ]    mass: 208.980400  - symbol: Bi # 25    coordinates: [  0.701311890000000,  0.288532870000000,  0.116085740000000 ]    mass: 208.980400  - symbol: Bi # 26    coordinates: [  0.238637160000000,  0.782569000000000,  0.380748710000000 ]    mass: 208.980400  - symbol: Bi # 27    coordinates: [  0.910754210000000,  0.896915770000000,  0.037221530000000 ]    mass: 208.980400  - symbol: Bi # 28    coordinates: [  0.288532870000000,  0.701311890000000,  0.616085740000000 ]    mass: 208.980400  - symbol: Bi # 29    coordinates: [  0.047657050000000,  0.605022050000000,  0.465118150000000 ]    mass: 208.980400  - symbol: Bi # 30    coordinates: [  0.782569000000000,  0.238637160000000,  0.880748710000000 ]    mass: 208.980400  - symbol: Bi # 31    coordinates: [  0.603875270000000,  0.550708370000000,  0.967750100000000 ]    mass: 208.980400  - symbol: Bi # 32    coordinates: [  0.598691340000000,  0.089761340000000,  0.460171420000000 ]    mass: 208.980400  - symbol: Bi # 33    coordinates: [  0.700977360000000,  0.784931360000000,  0.110828160000000 ]    mass: 208.980400  - symbol: Bi # 34    coordinates: [  0.217431000000000,  0.761362840000000,  0.119251290000000 ]    mass: 208.980400  - symbol: Bi # 35    coordinates: [  0.711467130000000,  0.298688110000000,  0.383914260000000 ]    mass: 208.980400  - symbol: Bi # 36    coordinates: [  0.298688110000000,  0.711467130000000,  0.883914260000000 ]    mass: 208.980400  - symbol: Bi # 37    coordinates: [  0.396124730000000,  0.449291630000000,  0.032249900000000 ]    mass: 208.980400  - symbol: Bi # 38    coordinates: [  0.550708370000000,  0.603875270000000,  0.467750100000000 ]    mass: 208.980400  - symbol: Bi # 39    coordinates: [  0.782440570000000,  0.733637490000000,  0.874817280000000 ]    mass: 208.980400  - symbol: Bi # 40    coordinates: [  0.449291630000000,  0.396124730000000,  0.532249900000000 ]    mass: 208.980400  - symbol: Bi # 41    coordinates: [  0.910238660000000,  0.401308660000000,  0.039828580000000 ]    mass: 208.980400  - symbol: Bi # 42    coordinates: [  0.952342950000000,  0.394977950000000,  0.534881850000000 ]    mass: 208.980400  - symbol: Bi # 43    coordinates: [  0.299022640000000,  0.215068640000000,  0.889171840000000 ]    mass: 208.980400  - symbol: Bi # 44    coordinates: [  0.896915770000000,  0.910754210000000,  0.537221530000000 ]    mass: 208.980400  - symbol: Bi # 45    coordinates: [  0.266362510000000,  0.217559430000000,  0.625182720000000 ]    mass: 208.980400  - symbol: Bi # 46    coordinates: [  0.394977950000000,  0.952342950000000,  0.034881850000000 ]    mass: 208.980400  - symbol: Bi # 47    coordinates: [  0.401308660000000,  0.910238660000000,  0.539828580000000 ]    mass: 208.980400  - symbol: Bi # 48    coordinates: [  0.103084230000000,  0.089245790000000,  0.462778470000000 ]    mass: 208.980400  - symbol: O  # 49    coordinates: [  0.284136490000000,  0.715863510000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.355410390000000,  0.028522750000000,  0.656693170000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.971477250000000,  0.644589610000000,  0.843306830000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.906354250000000,  0.721714050000000,  0.025564220000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.764557950000000,  0.720421850000000,  0.240997400000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.383986220000000,  0.583473720000000,  0.468739630000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.086628170000000,  0.226531930000000,  0.608006740000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.512201270000000,  0.888251150000000,  0.148391440000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.580376050000000,  0.883513710000000,  0.967670000000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.111748850000000,  0.487798730000000,  0.351608560000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.773468070000000,  0.913371830000000,  0.891993260000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.221701690000000,  0.583450550000000,  0.100086730000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.116486290000000,  0.419623950000000,  0.532330000000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.939695750000000,  0.740770630000000,  0.614783990000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.060304250000000,  0.259229370000000,  0.385216010000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.235442050000000,  0.279578150000000,  0.759002600000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.721714050000000,  0.906354250000000,  0.525564220000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.583450550000000,  0.221701690000000,  0.600086730000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.583473720000000,  0.383986220000000,  0.968739630000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.616013780000000,  0.416526280000000,  0.531260370000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.738349200000000,  0.444013860000000,  0.116423210000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.093616220000000,  0.774457860000000,  0.970652350000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.093645750000000,  0.278285950000000,  0.974435780000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.239494490000000,  0.760505510000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.778298310000000,  0.416549450000000,  0.899913270000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.028522750000000,  0.355410390000000,  0.156693170000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.389844460000000,  0.510246280000000,  0.647729190000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.261650800000000,  0.555986140000000,  0.883576790000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.416549450000000,  0.778298310000000,  0.399913270000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.226531930000000,  0.086628170000000,  0.108006740000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.720421850000000,  0.764557950000000,  0.740997400000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.888251150000000,  0.512201270000000,  0.648391440000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.444013860000000,  0.738349200000000,  0.616423210000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.610155540000000,  0.489753720000000,  0.352270810000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.259229370000000,  0.060304250000000,  0.885216010000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.913371830000000,  0.773468070000000,  0.391993260000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.555986140000000,  0.261650800000000,  0.383576790000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.027911150000000,  0.852540070000000,  0.153615970000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.906383780000000,  0.225542140000000,  0.029347650000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.416526280000000,  0.616013780000000,  0.031260370000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.278285950000000,  0.093645750000000,  0.474435780000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.715863510000000,  0.284136490000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 91    coordinates: [  0.419623950000000,  0.116486290000000,  0.032330000000000 ]    mass: 15.999400  - symbol: O  # 92    coordinates: [  0.644589610000000,  0.971477250000000,  0.343306830000000 ]    mass: 15.999400  - symbol: O  # 93    coordinates: [  0.279578150000000,  0.235442050000000,  0.259002600000000 ]    mass: 15.999400  - symbol: O  # 94    coordinates: [  0.883513710000000,  0.580376050000000,  0.467670000000000 ]    mass: 15.999400  - symbol: O  # 95    coordinates: [  0.510246280000000,  0.389844460000000,  0.147729190000000 ]    mass: 15.999400  - symbol: O  # 96    coordinates: [  0.487798730000000,  0.111748850000000,  0.851608560000000 ]    mass: 15.999400  - symbol: O  # 97    coordinates: [  0.972088850000000,  0.147459930000000,  0.846384030000000 ]    mass: 15.999400  - symbol: O  # 98    coordinates: [  0.760505510000000,  0.239494490000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 99    coordinates: [  0.774457860000000,  0.093616220000000,  0.470652350000000 ]    mass: 15.999400  - symbol: O  # 100    coordinates: [  0.740770630000000,  0.939695750000000,  0.114783990000000 ]    mass: 15.999400  - symbol: O  # 101    coordinates: [  0.225542140000000,  0.906383780000000,  0.529347650000000 ]    mass: 15.999400  - symbol: O  # 102    coordinates: [  0.147459930000000,  0.972088850000000,  0.346384030000000 ]    mass: 15.999400  - symbol: O  # 103    coordinates: [  0.852540070000000,  0.027911150000000,  0.653615970000000 ]    mass: 15.999400  - symbol: O  # 104    coordinates: [  0.489753720000000,  0.610155540000000,  0.852270810000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.048936157443622,    -0.077604272602562,     0.003799094333257 ] # a*  - [     0.048936157443622,     0.077604272602562,     0.003799094333257 ] # b*  - [     0.000266957742348,     0.000000000000000,     0.064614035951696 ] # c*unit_cell:  lattice:  - [    20.441344489999999,     0.000000000000000,    -0.084454950000000 ] # a  - [     0.000000000000000,    12.885888449999999,     0.000000000000000 ] # b  - [    -1.201884310000000,     0.000000000000000,    15.481479179999999 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.415288770000000,  0.046666580000000,  0.289642800000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.673311980000000,  0.695866660000000,  0.790778440000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.584711230000000,  0.046666580000000,  0.210357200000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.663615160000000,  0.206058320000000,  0.790018300000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 5    coordinates: [  0.415288770000000,  0.953333420000000,  0.789642800000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 6    coordinates: [  0.326688020000000,  0.304133340000000,  0.209221560000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 7    coordinates: [  0.663615160000000,  0.793941680000000,  0.290018300000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 8    coordinates: [  0.080782060000000,  0.948226090000000,  0.713620560000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 9    coordinates: [  0.584711230000000,  0.953333420000000,  0.710357200000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.326688020000000,  0.695866660000000,  0.709221560000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 11    coordinates: [  0.919217940000000,  0.948226090000000,  0.786379440000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 12    coordinates: [  0.336384840000000,  0.793941680000000,  0.209981700000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Rb # 13    coordinates: [  0.080782060000000,  0.051773910000000,  0.213620560000000 ]    mass: 85.467800    reduced_to: 13  - symbol: Rb # 14    coordinates: [  0.919217940000000,  0.051773910000000,  0.286379440000000 ]    mass: 85.467800    reduced_to: 14  - symbol: Rb # 15    coordinates: [  0.673311980000000,  0.304133340000000,  0.290778440000000 ]    mass: 85.467800    reduced_to: 15  - symbol: Rb # 16    coordinates: [  0.336384840000000,  0.206058320000000,  0.709981700000000 ]    mass: 85.467800    reduced_to: 16  - symbol: Rb # 17    coordinates: [  0.915288770000000,  0.546666580000000,  0.289642800000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 18    coordinates: [  0.173311980000000,  0.195866660000000,  0.790778440000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 19    coordinates: [  0.084711230000000,  0.546666580000000,  0.210357200000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 20    coordinates: [  0.163615160000000,  0.706058320000000,  0.790018300000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 21    coordinates: [  0.915288770000000,  0.453333420000000,  0.789642800000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 22    coordinates: [  0.826688020000000,  0.804133340000000,  0.209221560000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 23    coordinates: [  0.163615160000000,  0.293941680000000,  0.290018300000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 24    coordinates: [  0.580782060000000,  0.448226090000000,  0.713620560000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 25    coordinates: [  0.084711230000000,  0.453333420000000,  0.710357200000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 26    coordinates: [  0.826688020000000,  0.195866660000000,  0.709221560000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 27    coordinates: [  0.419217940000000,  0.448226090000000,  0.786379440000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 28    coordinates: [  0.836384840000000,  0.293941680000000,  0.209981700000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Rb # 29    coordinates: [  0.580782060000000,  0.551773910000000,  0.213620560000000 ]    mass: 85.467800    reduced_to: 13  - symbol: Rb # 30    coordinates: [  0.419217940000000,  0.551773910000000,  0.286379440000000 ]    mass: 85.467800    reduced_to: 14  - symbol: Rb # 31    coordinates: [  0.173311980000000,  0.804133340000000,  0.290778440000000 ]    mass: 85.467800    reduced_to: 15  - symbol: Rb # 32    coordinates: [  0.836384840000000,  0.706058320000000,  0.709981700000000 ]    mass: 85.467800    reduced_to: 16  - symbol: Bi # 33    coordinates: [  0.742954360000000,  0.958023000000000,  0.610828160000000 ]    mass: 208.980400    reduced_to: 33  - 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