# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/58122e1d-507d-47b7-80db-ce8cb6c1e498/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 Na2MgInF7 / Pnma (62) / materials id 10837](https://mdr.nims.go.jp/datasets/d12a0eec-dc2a-43b3-a3ed-926314dc1ff1)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.277529510000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.324191620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.495734630000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.135041180000000,  0.446538960000000,  0.680046780000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.864958820000000,  0.946538960000000,  0.319953220000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.364958820000000,  0.553461040000000,  0.180046780000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.635041180000000,  0.053461040000000,  0.819953220000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.864958820000000,  0.553461040000000,  0.319953220000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.135041180000000,  0.053461040000000,  0.680046780000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.635041180000000,  0.446538960000000,  0.819953220000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.364958820000000,  0.946538960000000,  0.180046780000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.125091240000000,  0.494580100000000,  0.296173080000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.874908760000000,  0.994580100000000,  0.703826920000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.374908760000000,  0.505419900000000,  0.796173080000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.625091240000000,  0.005419900000000,  0.203826920000000 ]    mass: 18.998403  - symbol: F  # 13    coordinates: [  0.874908760000000,  0.505419900000000,  0.703826920000000 ]    mass: 18.998403  - symbol: F  # 14    coordinates: [  0.125091240000000,  0.005419900000000,  0.296173080000000 ]    mass: 18.998403  - symbol: F  # 15    coordinates: [  0.625091240000000,  0.494580100000000,  0.203826920000000 ]    mass: 18.998403  - symbol: F  # 16    coordinates: [  0.374908760000000,  0.994580100000000,  0.796173080000000 ]    mass: 18.998403  - symbol: F  # 17    coordinates: [  0.363268780000000,  0.250000000000000,  0.517055550000000 ]    mass: 18.998403  - symbol: F  # 18    coordinates: [  0.636731220000000,  0.750000000000000,  0.482944450000000 ]    mass: 18.998403  - symbol: F  # 19    coordinates: [  0.136731220000000,  0.750000000000000,  0.017055550000000 ]    mass: 18.998403  - symbol: F  # 20    coordinates: [  0.863268780000000,  0.250000000000000,  0.982944450000000 ]    mass: 18.998403  - symbol: F  # 21    coordinates: [  0.155012670000000,  0.250000000000000,  0.990112560000000 ]    mass: 18.998403  - symbol: F  # 22    coordinates: [  0.844987330000000,  0.750000000000000,  0.009887440000000 ]    mass: 18.998403  - symbol: F  # 23    coordinates: [  0.344987330000000,  0.750000000000000,  0.490112560000000 ]    mass: 18.998403  - symbol: F  # 24    coordinates: [  0.655012670000000,  0.250000000000000,  0.509887440000000 ]    mass: 18.998403  - symbol: F  # 25    coordinates: [  0.434463010000000,  0.250000000000000,  0.014548730000000 ]    mass: 18.998403  - symbol: F  # 26    coordinates: [  0.565536990000000,  0.750000000000000,  0.985451270000000 ]    mass: 18.998403  - symbol: F  # 27    coordinates: [  0.065536990000000,  0.750000000000000,  0.514548730000000 ]    mass: 18.998403  - symbol: F  # 28    coordinates: [  0.934463010000000,  0.250000000000000,  0.485451270000000 ]    mass: 18.998403  - symbol: Na # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 31    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Na # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Na # 33    coordinates: [  0.267828580000000,  0.250000000000000,  0.242161630000000 ]    mass: 22.989769  - symbol: Na # 34    coordinates: [  0.767828580000000,  0.250000000000000,  0.257838370000000 ]    mass: 22.989769  - symbol: Na # 35    coordinates: [  0.232171420000000,  0.750000000000000,  0.742161630000000 ]    mass: 22.989769  - symbol: Na # 36    coordinates: [  0.732171420000000,  0.750000000000000,  0.757838370000000 ]    mass: 22.989769  - symbol: Mg # 37    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 38    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 39    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: In # 41    coordinates: [  0.273074560000000,  0.250000000000000,  0.767717510000000 ]    mass: 114.818000  - symbol: In # 42    coordinates: [  0.726925440000000,  0.750000000000000,  0.232282490000000 ]    mass: 114.818000  - symbol: In # 43    coordinates: [  0.226925440000000,  0.750000000000000,  0.267717510000000 ]    mass: 114.818000  - symbol: In # 44    coordinates: [  0.773074560000000,  0.250000000000000,  0.732282490000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.097299647646548,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.136533839075062,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.133409205282925 ] # c*unit_cell:  lattice:  - [    10.277529510000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.324191620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.495734630000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.135041180000000,  0.446538960000000,  0.680046780000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.864958820000000,  0.946538960000000,  0.319953220000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.364958820000000,  0.553461040000000,  0.180046780000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.635041180000000,  0.053461040000000,  0.819953220000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.864958820000000,  0.553461040000000,  0.319953220000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.135041180000000,  0.053461040000000,  0.680046780000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.635041180000000,  0.446538960000000,  0.819953220000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.364958820000000,  0.946538960000000,  0.180046780000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.125091240000000,  0.494580100000000,  0.296173080000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.874908760000000,  0.994580100000000,  0.703826920000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.374908760000000,  0.505419900000000,  0.796173080000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.625091240000000,  0.005419900000000,  0.203826920000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 13    coordinates: [  0.874908760000000,  0.505419900000000,  0.703826920000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.125091240000000,  0.005419900000000,  0.296173080000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 15    coordinates: [  0.625091240000000,  0.494580100000000,  0.203826920000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.374908760000000,  0.994580100000000,  0.796173080000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.363268780000000,  0.250000000000000,  0.517055550000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.636731220000000,  0.750000000000000,  0.482944450000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.136731220000000,  0.750000000000000,  0.017055550000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.863268780000000,  0.250000000000000,  0.982944450000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.155012670000000,  0.250000000000000,  0.990112560000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.844987330000000,  0.750000000000000,  0.009887440000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.344987330000000,  0.750000000000000,  0.490112560000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.655012670000000,  0.250000000000000,  0.509887440000000 ]    mass: 18.998403    reduced_to: 24  - symbol: F  # 25    coordinates: [  0.434463010000000,  0.250000000000000,  0.014548730000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.565536990000000,  0.750000000000000,  0.985451270000000 ]    mass: 18.998403    reduced_to: 26  - symbol: F  # 27    coordinates: [  0.065536990000000,  0.750000000000000,  0.514548730000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.934463010000000,  0.250000000000000,  0.485451270000000 ]    mass: 18.998403    reduced_to: 28  - symbol: Na # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 29  - symbol: Na # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 30  - symbol: Na # 31    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 31  - symbol: Na # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 32  - symbol: Na # 33    coordinates: [  0.267828580000000,  0.250000000000000,  0.242161630000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.767828580000000,  0.250000000000000,  0.257838370000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.232171420000000,  0.750000000000000,  0.742161630000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.732171420000000,  0.750000000000000,  0.757838370000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Mg # 37    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 38    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 38  - symbol: Mg # 39    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 39  - symbol: Mg # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 40  - symbol: In # 41    coordinates: [  0.273074560000000,  0.250000000000000,  0.767717510000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 42    coordinates: [  0.726925440000000,  0.750000000000000,  0.232282490000000 ]    mass: 114.818000    reduced_to: 42  - symbol: In # 43    coordinates: [  0.226925440000000,  0.750000000000000,  0.267717510000000 ]    mass: 114.818000    reduced_to: 43  - symbol: In # 44    coordinates: [  0.773074560000000,  0.250000000000000,  0.732282490000000 ]    mass: 114.818000    reduced_to: 44supercell:  lattice:  - [    10.277529510000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.648383239999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.495734630000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.135041180000000,  0.223269480000000,  0.680046780000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.135041180000000,  0.723269480000000,  0.680046780000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.864958820000000,  0.473269480000000,  0.319953220000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.864958820000000,  0.973269480000000,  0.319953220000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 5    coordinates: [  0.364958820000000,  0.276730520000000,  0.180046780000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.364958820000000,  0.776730520000000,  0.180046780000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 7    coordinates: [  0.635041180000000,  0.026730520000000,  0.819953220000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.635041180000000,  0.526730520000000,  0.819953220000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 9    coordinates: [  0.864958820000000,  0.276730520000000,  0.319953220000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.864958820000000,  0.776730520000000,  0.319953220000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.135041180000000,  0.026730520000000,  0.680046780000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.135041180000000,  0.526730520000000,  0.680046780000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 13    coordinates: [  0.635041180000000,  0.223269480000000,  0.819953220000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.635041180000000,  0.723269480000000,  0.819953220000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.364958820000000,  0.473269480000000,  0.180046780000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.364958820000000,  0.973269480000000,  0.180046780000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 17    coordinates: [  0.125091240000000,  0.247290050000000,  0.296173080000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.125091240000000,  0.747290050000000,  0.296173080000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.874908760000000,  0.497290050000000,  0.703826920000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.874908760000000,  0.997290050000000,  0.703826920000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 21    coordinates: [  0.374908760000000,  0.252709950000000,  0.796173080000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.374908760000000,  0.752709950000000,  0.796173080000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.625091240000000,  0.002709950000000,  0.203826920000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.625091240000000,  0.502709950000000,  0.203826920000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 25    coordinates: [  0.874908760000000,  0.252709950000000,  0.703826920000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.874908760000000,  0.752709950000000,  0.703826920000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.125091240000000,  0.002709950000000,  0.296173080000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.125091240000000,  0.502709950000000,  0.296173080000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 29    coordinates: [  0.625091240000000,  0.247290050000000,  0.203826920000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.625091240000000,  0.747290050000000,  0.203826920000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 31    coordinates: [  0.374908760000000,  0.497290050000000,  0.796173080000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 32    coordinates: [  0.374908760000000,  0.997290050000000,  0.796173080000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 33    coordinates: [  0.363268780000000,  0.125000000000000,  0.517055550000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.363268780000000,  0.625000000000000,  0.517055550000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.636731220000000,  0.375000000000000,  0.482944450000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 36    coordinates: [  0.636731220000000,  0.875000000000000,  0.482944450000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 37    coordinates: [  0.136731220000000,  0.375000000000000,  0.017055550000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.136731220000000,  0.875000000000000,  0.017055550000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 39    coordinates: [  0.863268780000000,  0.125000000000000,  0.982944450000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 40    coordinates: [  0.863268780000000,  0.625000000000000,  0.982944450000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 41    coordinates: [  0.155012670000000,  0.125000000000000,  0.990112560000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.155012670000000,  0.625000000000000,  0.990112560000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 43    coordinates: [  0.844987330000000,  0.375000000000000,  0.009887440000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 44    coordinates: [  0.844987330000000,  0.875000000000000,  0.009887440000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 45    coordinates: [  0.344987330000000,  0.375000000000000,  0.490112560000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 46    coordinates: [  0.344987330000000,  0.875000000000000,  0.490112560000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 47    coordinates: [  0.655012670000000,  0.125000000000000,  0.509887440000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 48    coordinates: [  0.655012670000000,  0.625000000000000,  0.509887440000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 49    coordinates: [  0.434463010000000,  0.125000000000000,  0.014548730000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.434463010000000,  0.625000000000000,  0.014548730000000 ]    mass: 18.998403    reduced_to: 49  - 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