# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/96c70baf-18b9-4c1a-83aa-1e5a61af22fd/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 Na5InO4 / Pbca (61) / materials id 14493](https://mdr.nims.go.jp/datasets/8436b0a6-3fa1-49a0-ad4f-f46d5d2b4f29)

## 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: "Pbca"  number: 61  Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.560636669999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.768814770000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.698960209999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.510284260000000,  0.011840050000000,  0.747431950000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.010284260000000,  0.488159950000000,  0.252568050000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.989715740000000,  0.988159950000000,  0.247431950000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.489715740000000,  0.511840050000000,  0.752568050000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.489715740000000,  0.988159950000000,  0.252568050000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.989715740000000,  0.511840050000000,  0.747431950000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.010284260000000,  0.011840050000000,  0.752568050000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.510284260000000,  0.488159950000000,  0.247431950000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.237446940000000,  0.544075200000000,  0.514913390000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.737446940000000,  0.955924800000000,  0.485086610000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.262553060000000,  0.455924800000000,  0.014913390000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.762553060000000,  0.044075200000000,  0.985086610000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.762553060000000,  0.455924800000000,  0.485086610000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.262553060000000,  0.044075200000000,  0.514913390000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.737446940000000,  0.544075200000000,  0.985086610000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.237446940000000,  0.955924800000000,  0.014913390000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.768131270000000,  0.256964180000000,  0.252410020000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.268131270000000,  0.243035820000000,  0.747589980000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.731868730000000,  0.743035820000000,  0.752410020000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.231868730000000,  0.756964180000000,  0.247589980000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.231868730000000,  0.743035820000000,  0.747589980000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.731868730000000,  0.756964180000000,  0.252410020000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.268131270000000,  0.256964180000000,  0.247589980000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.768131270000000,  0.243035820000000,  0.752410020000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.999745230000000,  0.255771890000000,  0.456387950000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.499745230000000,  0.244228110000000,  0.543612050000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.500254770000000,  0.744228110000000,  0.956387950000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.000254770000000,  0.755771890000000,  0.043612050000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.000254770000000,  0.744228110000000,  0.543612050000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.500254770000000,  0.755771890000000,  0.456387950000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.499745230000000,  0.255771890000000,  0.043612050000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.999745230000000,  0.244228110000000,  0.956387950000000 ]    mass: 15.999400  - symbol: Na # 33    coordinates: [  0.103396750000000,  0.338271290000000,  0.119187380000000 ]    mass: 22.989769  - symbol: Na # 34    coordinates: [  0.603396750000000,  0.161728710000000,  0.880812620000000 ]    mass: 22.989769  - symbol: Na # 35    coordinates: [  0.396603250000000,  0.661728710000000,  0.619187380000000 ]    mass: 22.989769  - symbol: Na # 36    coordinates: [  0.896603250000000,  0.838271290000000,  0.380812620000000 ]    mass: 22.989769  - symbol: Na # 37    coordinates: [  0.896603250000000,  0.661728710000000,  0.880812620000000 ]    mass: 22.989769  - symbol: Na # 38    coordinates: [  0.396603250000000,  0.838271290000000,  0.119187380000000 ]    mass: 22.989769  - symbol: Na # 39    coordinates: [  0.603396750000000,  0.338271290000000,  0.380812620000000 ]    mass: 22.989769  - symbol: Na # 40    coordinates: [  0.103396750000000,  0.161728710000000,  0.619187380000000 ]    mass: 22.989769  - symbol: Na # 41    coordinates: [  0.643268960000000,  0.896680500000000,  0.887033950000000 ]    mass: 22.989769  - symbol: Na # 42    coordinates: [  0.143268960000000,  0.603319500000000,  0.112966050000000 ]    mass: 22.989769  - symbol: Na # 43    coordinates: [  0.856731040000000,  0.103319500000000,  0.387033950000000 ]    mass: 22.989769  - symbol: Na # 44    coordinates: [  0.356731040000000,  0.396680500000000,  0.612966050000000 ]    mass: 22.989769  - symbol: Na # 45    coordinates: [  0.356731040000000,  0.103319500000000,  0.112966050000000 ]    mass: 22.989769  - symbol: Na # 46    coordinates: [  0.856731040000000,  0.396680500000000,  0.887033950000000 ]    mass: 22.989769  - symbol: Na # 47    coordinates: [  0.143268960000000,  0.896680500000000,  0.612966050000000 ]    mass: 22.989769  - symbol: Na # 48    coordinates: [  0.643268960000000,  0.603319500000000,  0.387033950000000 ]    mass: 22.989769  - symbol: Na # 49    coordinates: [  0.594556700000000,  0.852675930000000,  0.624268580000000 ]    mass: 22.989769  - symbol: Na # 50    coordinates: [  0.094556700000000,  0.647324070000000,  0.375731420000000 ]    mass: 22.989769  - symbol: Na # 51    coordinates: [  0.905443300000000,  0.147324070000000,  0.124268580000000 ]    mass: 22.989769  - symbol: Na # 52    coordinates: [  0.405443300000000,  0.352675930000000,  0.875731420000000 ]    mass: 22.989769  - symbol: Na # 53    coordinates: [  0.405443300000000,  0.147324070000000,  0.375731420000000 ]    mass: 22.989769  - symbol: Na # 54    coordinates: [  0.905443300000000,  0.352675930000000,  0.624268580000000 ]    mass: 22.989769  - symbol: Na # 55    coordinates: [  0.094556700000000,  0.852675930000000,  0.875731420000000 ]    mass: 22.989769  - symbol: Na # 56    coordinates: [  0.594556700000000,  0.647324070000000,  0.124268580000000 ]    mass: 22.989769  - symbol: Na # 57    coordinates: [  0.666679760000000,  0.382726070000000,  0.106490060000000 ]    mass: 22.989769  - symbol: Na # 58    coordinates: [  0.166679760000000,  0.117273930000000,  0.893509940000000 ]    mass: 22.989769  - symbol: Na # 59    coordinates: [  0.833320240000000,  0.617273930000000,  0.606490060000000 ]    mass: 22.989769  - symbol: Na # 60    coordinates: [  0.333320240000000,  0.882726070000000,  0.393509940000000 ]    mass: 22.989769  - symbol: Na # 61    coordinates: [  0.333320240000000,  0.617273930000000,  0.893509940000000 ]    mass: 22.989769  - symbol: Na # 62    coordinates: [  0.833320240000000,  0.882726070000000,  0.106490060000000 ]    mass: 22.989769  - symbol: Na # 63    coordinates: [  0.166679760000000,  0.382726070000000,  0.393509940000000 ]    mass: 22.989769  - symbol: Na # 64    coordinates: [  0.666679760000000,  0.117273930000000,  0.606490060000000 ]    mass: 22.989769  - symbol: Na # 65    coordinates: [  0.132294500000000,  0.381948130000000,  0.849294670000000 ]    mass: 22.989769  - symbol: Na # 66    coordinates: [  0.632294500000000,  0.118051870000000,  0.150705330000000 ]    mass: 22.989769  - symbol: Na # 67    coordinates: [  0.367705500000000,  0.618051870000000,  0.349294670000000 ]    mass: 22.989769  - symbol: Na # 68    coordinates: [  0.867705500000000,  0.881948130000000,  0.650705330000000 ]    mass: 22.989769  - symbol: Na # 69    coordinates: [  0.867705500000000,  0.618051870000000,  0.150705330000000 ]    mass: 22.989769  - symbol: Na # 70    coordinates: [  0.367705500000000,  0.881948130000000,  0.849294670000000 ]    mass: 22.989769  - symbol: Na # 71    coordinates: [  0.632294500000000,  0.381948130000000,  0.650705330000000 ]    mass: 22.989769  - symbol: Na # 72    coordinates: [  0.132294500000000,  0.118051870000000,  0.349294670000000 ]    mass: 22.989769  - symbol: In # 73    coordinates: [  0.884969070000000,  0.378135320000000,  0.352380520000000 ]    mass: 114.818000  - symbol: In # 74    coordinates: [  0.384969070000000,  0.121864680000000,  0.647619480000000 ]    mass: 114.818000  - symbol: In # 75    coordinates: [  0.615030930000000,  0.621864680000000,  0.852380520000000 ]    mass: 114.818000  - symbol: In # 76    coordinates: [  0.115030930000000,  0.878135320000000,  0.147619480000000 ]    mass: 114.818000  - symbol: In # 77    coordinates: [  0.115030930000000,  0.621864680000000,  0.647619480000000 ]    mass: 114.818000  - symbol: In # 78    coordinates: [  0.615030930000000,  0.878135320000000,  0.352380520000000 ]    mass: 114.818000  - symbol: In # 79    coordinates: [  0.384969070000000,  0.378135320000000,  0.147619480000000 ]    mass: 114.818000  - symbol: In # 80    coordinates: [  0.884969070000000,  0.121864680000000,  0.852380520000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.094691260692714,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.092860729927849,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.093467026736423 ] # c*unit_cell:  lattice:  - [    10.560636669999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.768814770000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.698960209999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.510284260000000,  0.011840050000000,  0.747431950000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.010284260000000,  0.488159950000000,  0.252568050000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.989715740000000,  0.988159950000000,  0.247431950000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.489715740000000,  0.511840050000000,  0.752568050000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.489715740000000,  0.988159950000000,  0.252568050000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.989715740000000,  0.511840050000000,  0.747431950000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.010284260000000,  0.011840050000000,  0.752568050000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.510284260000000,  0.488159950000000,  0.247431950000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.237446940000000,  0.544075200000000,  0.514913390000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.737446940000000,  0.955924800000000,  0.485086610000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.262553060000000,  0.455924800000000,  0.014913390000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.762553060000000,  0.044075200000000,  0.985086610000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.762553060000000,  0.455924800000000,  0.485086610000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.262553060000000,  0.044075200000000,  0.514913390000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.737446940000000,  0.544075200000000,  0.985086610000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.237446940000000,  0.955924800000000,  0.014913390000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.768131270000000,  0.256964180000000,  0.252410020000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.268131270000000,  0.243035820000000,  0.747589980000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.731868730000000,  0.743035820000000,  0.752410020000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.231868730000000,  0.756964180000000,  0.247589980000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.231868730000000,  0.743035820000000,  0.747589980000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.731868730000000,  0.756964180000000,  0.252410020000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.268131270000000,  0.256964180000000,  0.247589980000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.768131270000000,  0.243035820000000,  0.752410020000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.999745230000000,  0.255771890000000,  0.456387950000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.499745230000000,  0.244228110000000,  0.543612050000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.500254770000000,  0.744228110000000,  0.956387950000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000254770000000,  0.755771890000000,  0.043612050000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.000254770000000,  0.744228110000000,  0.543612050000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.500254770000000,  0.755771890000000,  0.456387950000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.499745230000000,  0.255771890000000,  0.043612050000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.999745230000000,  0.244228110000000,  0.956387950000000 ]    mass: 15.999400    reduced_to: 32  - symbol: Na # 33    coordinates: [  0.103396750000000,  0.338271290000000,  0.119187380000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.603396750000000,  0.161728710000000,  0.880812620000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.396603250000000,  0.661728710000000,  0.619187380000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.896603250000000,  0.838271290000000,  0.380812620000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Na # 37    coordinates: [  0.896603250000000,  0.661728710000000,  0.880812620000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 38    coordinates: [  0.396603250000000,  0.838271290000000,  0.119187380000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 39    coordinates: [  0.603396750000000,  0.338271290000000,  0.380812620000000 ]    mass: 22.989769    reduced_to: 39  - symbol: Na # 40    coordinates: [  0.103396750000000,  0.161728710000000,  0.619187380000000 ]    mass: 22.989769    reduced_to: 40  - symbol: Na # 41    coordinates: [  0.643268960000000,  0.896680500000000,  0.887033950000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 42    coordinates: [  0.143268960000000,  0.603319500000000,  0.112966050000000 ]    mass: 22.989769    reduced_to: 42  - symbol: Na # 43    coordinates: [  0.856731040000000,  0.103319500000000,  0.387033950000000 ]    mass: 22.989769    reduced_to: 43  - symbol: Na # 44    coordinates: [  0.356731040000000,  0.396680500000000,  0.612966050000000 ]    mass: 22.989769    reduced_to: 44  - symbol: Na # 45    coordinates: [  0.356731040000000,  0.103319500000000,  0.112966050000000 ]    mass: 22.989769    reduced_to: 45  - symbol: Na # 46    coordinates: [  0.856731040000000,  0.396680500000000,  0.887033950000000 ]    mass: 22.989769    reduced_to: 46  - symbol: Na # 47    coordinates: [  0.143268960000000,  0.896680500000000,  0.612966050000000 ]    mass: 22.989769    reduced_to: 47  - symbol: Na # 48    coordinates: [  0.643268960000000,  0.603319500000000,  0.387033950000000 ]    mass: 22.989769    reduced_to: 48  - symbol: Na # 49    coordinates: [  0.594556700000000,  0.852675930000000,  0.624268580000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.094556700000000,  0.647324070000000,  0.375731420000000 ]    mass: 22.989769    reduced_to: 50  - symbol: Na # 51    coordinates: [  0.905443300000000,  0.147324070000000,  0.124268580000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Na # 52    coordinates: [  0.405443300000000,  0.352675930000000,  0.875731420000000 ]    mass: 22.989769    reduced_to: 52  - symbol: Na # 53    coordinates: [  0.405443300000000,  0.147324070000000,  0.375731420000000 ]    mass: 22.989769    reduced_to: 53  - symbol: Na # 54    coordinates: [  0.905443300000000,  0.352675930000000,  0.624268580000000 ]    mass: 22.989769    reduced_to: 54  - symbol: Na # 55    coordinates: [  0.094556700000000,  0.852675930000000,  0.875731420000000 ]    mass: 22.989769    reduced_to: 55  - symbol: Na # 56    coordinates: [  0.594556700000000,  0.647324070000000,  0.124268580000000 ]    mass: 22.989769    reduced_to: 56  - symbol: Na # 57    coordinates: [  0.666679760000000,  0.382726070000000,  0.106490060000000 ]    mass: 22.989769    reduced_to: 57  - symbol: Na # 58    coordinates: [  0.166679760000000,  0.117273930000000,  0.893509940000000 ]    mass: 22.989769    reduced_to: 58  - symbol: Na # 59    coordinates: [  0.833320240000000,  0.617273930000000,  0.606490060000000 ]    mass: 22.989769    reduced_to: 59  - symbol: Na # 60    coordinates: [  0.333320240000000,  0.882726070000000,  0.393509940000000 ]    mass: 22.989769    reduced_to: 60  - symbol: Na # 61    coordinates: [  0.333320240000000,  0.617273930000000,  0.893509940000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 62    coordinates: [  0.833320240000000,  0.882726070000000,  0.106490060000000 ]    mass: 22.989769    reduced_to: 62  - symbol: Na # 63    coordinates: [  0.166679760000000,  0.382726070000000,  0.393509940000000 ]    mass: 22.989769    reduced_to: 63  - symbol: Na # 64    coordinates: [  0.666679760000000,  0.117273930000000,  0.606490060000000 ]    mass: 22.989769    reduced_to: 64  - symbol: Na # 65    coordinates: [  0.132294500000000,  0.381948130000000,  0.849294670000000 ]    mass: 22.989769    reduced_to: 65  - symbol: Na # 66    coordinates: [  0.632294500000000,  0.118051870000000,  0.150705330000000 ]    mass: 22.989769    reduced_to: 66  - symbol: Na # 67    coordinates: [  0.367705500000000,  0.618051870000000,  0.349294670000000 ]    mass: 22.989769    reduced_to: 67  - symbol: Na # 68    coordinates: [  0.867705500000000,  0.881948130000000,  0.650705330000000 ]    mass: 22.989769    reduced_to: 68  - symbol: Na # 69    coordinates: [  0.867705500000000,  0.618051870000000,  0.150705330000000 ]    mass: 22.989769    reduced_to: 69  - symbol: Na # 70    coordinates: [  0.367705500000000,  0.881948130000000,  0.849294670000000 ]    mass: 22.989769    reduced_to: 70  - symbol: Na # 71    coordinates: [  0.632294500000000,  0.381948130000000,  0.650705330000000 ]    mass: 22.989769    reduced_to: 71  - symbol: Na # 72    coordinates: [  0.132294500000000,  0.118051870000000,  0.349294670000000 ]    mass: 22.989769    reduced_to: 72  - 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