# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7ee00349-b34c-429f-8654-6d77a2c5f206/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 RbDy2Cl7 / Pnma (62) / materials id 28094](https://mdr.nims.go.jp/datasets/4f0068ae-2d91-4687-90c8-1249ac5f4501)

## 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:  - [    13.117557480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.875384420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.467790960000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.370224300000000,  0.490278530000000,  0.960915300000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.629775700000000,  0.990278530000000,  0.039084700000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.129775700000000,  0.509721470000000,  0.460915300000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.870224300000000,  0.009721470000000,  0.539084700000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.629775700000000,  0.509721470000000,  0.039084700000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.370224300000000,  0.009721470000000,  0.960915300000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.870224300000000,  0.490278530000000,  0.539084700000000 ]    mass: 35.453000  - symbol: Cl # 8    coordinates: [  0.129775700000000,  0.990278530000000,  0.460915300000000 ]    mass: 35.453000  - symbol: Cl # 9    coordinates: [  0.122585450000000,  0.509973420000000,  0.922372910000000 ]    mass: 35.453000  - symbol: Cl # 10    coordinates: [  0.877414550000000,  0.009973420000000,  0.077627090000000 ]    mass: 35.453000  - symbol: Cl # 11    coordinates: [  0.377414550000000,  0.490026580000000,  0.422372910000000 ]    mass: 35.453000  - symbol: Cl # 12    coordinates: [  0.622585450000000,  0.990026580000000,  0.577627090000000 ]    mass: 35.453000  - symbol: Cl # 13    coordinates: [  0.391834350000000,  0.750000000000000,  0.189154590000000 ]    mass: 35.453000  - symbol: Cl # 14    coordinates: [  0.608165650000000,  0.250000000000000,  0.810845410000000 ]    mass: 35.453000  - symbol: Cl # 15    coordinates: [  0.108165650000000,  0.250000000000000,  0.689154590000000 ]    mass: 35.453000  - symbol: Cl # 16    coordinates: [  0.891834350000000,  0.750000000000000,  0.310845410000000 ]    mass: 35.453000  - symbol: Cl # 17    coordinates: [  0.175105090000000,  0.993420860000000,  0.193252550000000 ]    mass: 35.453000  - symbol: Cl # 18    coordinates: [  0.824894910000000,  0.493420860000000,  0.806747450000000 ]    mass: 35.453000  - symbol: Cl # 19    coordinates: [  0.324894910000000,  0.006579140000000,  0.693252550000000 ]    mass: 35.453000  - symbol: Cl # 20    coordinates: [  0.675105090000000,  0.506579140000000,  0.306747450000000 ]    mass: 35.453000  - symbol: Cl # 21    coordinates: [  0.824894910000000,  0.006579140000000,  0.806747450000000 ]    mass: 35.453000  - symbol: Cl # 22    coordinates: [  0.175105090000000,  0.506579140000000,  0.193252550000000 ]    mass: 35.453000  - symbol: Cl # 23    coordinates: [  0.675105090000000,  0.993420860000000,  0.306747450000000 ]    mass: 35.453000  - symbol: Cl # 24    coordinates: [  0.324894910000000,  0.493420860000000,  0.693252550000000 ]    mass: 35.453000  - symbol: Cl # 25    coordinates: [  0.377414550000000,  0.009973420000000,  0.422372910000000 ]    mass: 35.453000  - symbol: Cl # 26    coordinates: [  0.622585450000000,  0.509973420000000,  0.577627090000000 ]    mass: 35.453000  - symbol: Cl # 27    coordinates: [  0.122585450000000,  0.990026580000000,  0.922372910000000 ]    mass: 35.453000  - symbol: Cl # 28    coordinates: [  0.877414550000000,  0.490026580000000,  0.077627090000000 ]    mass: 35.453000  - symbol: Rb # 29    coordinates: [  0.040954610000000,  0.750000000000000,  0.696864220000000 ]    mass: 85.467800  - symbol: Rb # 30    coordinates: [  0.959045390000000,  0.250000000000000,  0.303135780000000 ]    mass: 85.467800  - symbol: Rb # 31    coordinates: [  0.459045390000000,  0.250000000000000,  0.196864220000000 ]    mass: 85.467800  - symbol: Rb # 32    coordinates: [  0.540954610000000,  0.750000000000000,  0.803135780000000 ]    mass: 85.467800  - symbol: Dy # 33    coordinates: [  0.747225970000000,  0.750000000000000,  0.156482230000000 ]    mass: 162.500000  - symbol: Dy # 34    coordinates: [  0.252774030000000,  0.250000000000000,  0.843517770000000 ]    mass: 162.500000  - symbol: Dy # 35    coordinates: [  0.752774030000000,  0.250000000000000,  0.656482230000000 ]    mass: 162.500000  - symbol: Dy # 36    coordinates: [  0.247225970000000,  0.750000000000000,  0.343517770000000 ]    mass: 162.500000  - symbol: Dy # 37    coordinates: [  0.238090310000000,  0.750000000000000,  0.040048940000000 ]    mass: 162.500000  - symbol: Dy # 38    coordinates: [  0.761909690000000,  0.250000000000000,  0.959951060000000 ]    mass: 162.500000  - symbol: Dy # 39    coordinates: [  0.261909690000000,  0.250000000000000,  0.540048940000000 ]    mass: 162.500000  - symbol: Dy # 40    coordinates: [  0.738090310000000,  0.750000000000000,  0.459951060000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [     0.076233704447240,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.145446412725821,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.080206670388384 ] # c*unit_cell:  lattice:  - [    13.117557480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.875384420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.467790960000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.370224300000000,  0.490278530000000,  0.960915300000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.629775700000000,  0.990278530000000,  0.039084700000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.129775700000000,  0.509721470000000,  0.460915300000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.870224300000000,  0.009721470000000,  0.539084700000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.629775700000000,  0.509721470000000,  0.039084700000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.370224300000000,  0.009721470000000,  0.960915300000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.870224300000000,  0.490278530000000,  0.539084700000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.129775700000000,  0.990278530000000,  0.460915300000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.122585450000000,  0.509973420000000,  0.922372910000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.877414550000000,  0.009973420000000,  0.077627090000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.377414550000000,  0.490026580000000,  0.422372910000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.622585450000000,  0.990026580000000,  0.577627090000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 13    coordinates: [  0.391834350000000,  0.750000000000000,  0.189154590000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.608165650000000,  0.250000000000000,  0.810845410000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 15    coordinates: [  0.108165650000000,  0.250000000000000,  0.689154590000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 16    coordinates: [  0.891834350000000,  0.750000000000000,  0.310845410000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 17    coordinates: [  0.175105090000000,  0.993420860000000,  0.193252550000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.824894910000000,  0.493420860000000,  0.806747450000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.324894910000000,  0.006579140000000,  0.693252550000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.675105090000000,  0.506579140000000,  0.306747450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.824894910000000,  0.006579140000000,  0.806747450000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.175105090000000,  0.506579140000000,  0.193252550000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.675105090000000,  0.993420860000000,  0.306747450000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 24    coordinates: [  0.324894910000000,  0.493420860000000,  0.693252550000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Cl # 25    coordinates: [  0.377414550000000,  0.009973420000000,  0.422372910000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 26    coordinates: [  0.622585450000000,  0.509973420000000,  0.577627090000000 ]    mass: 35.453000    reduced_to: 26  - symbol: Cl # 27    coordinates: [  0.122585450000000,  0.990026580000000,  0.922372910000000 ]    mass: 35.453000    reduced_to: 27  - symbol: Cl # 28    coordinates: [  0.877414550000000,  0.490026580000000,  0.077627090000000 ]    mass: 35.453000    reduced_to: 28  - symbol: Rb # 29    coordinates: [  0.040954610000000,  0.750000000000000,  0.696864220000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 30    coordinates: [  0.959045390000000,  0.250000000000000,  0.303135780000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 31    coordinates: [  0.459045390000000,  0.250000000000000,  0.196864220000000 ]    mass: 85.467800    reduced_to: 31  - symbol: Rb # 32    coordinates: [  0.540954610000000,  0.750000000000000,  0.803135780000000 ]    mass: 85.467800    reduced_to: 32  - symbol: Dy # 33    coordinates: [  0.747225970000000,  0.750000000000000,  0.156482230000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 34    coordinates: [  0.252774030000000,  0.250000000000000,  0.843517770000000 ]    mass: 162.500000    reduced_to: 34  - symbol: Dy # 35    coordinates: [  0.752774030000000,  0.250000000000000,  0.656482230000000 ]    mass: 162.500000    reduced_to: 35  - symbol: Dy # 36    coordinates: [  0.247225970000000,  0.750000000000000,  0.343517770000000 ]    mass: 162.500000    reduced_to: 36  - symbol: Dy # 37    coordinates: [  0.238090310000000,  0.750000000000000,  0.040048940000000 ]    mass: 162.500000    reduced_to: 37  - symbol: Dy # 38    coordinates: [  0.761909690000000,  0.250000000000000,  0.959951060000000 ]    mass: 162.500000    reduced_to: 38  - symbol: Dy # 39    coordinates: [  0.261909690000000,  0.250000000000000,  0.540048940000000 ]    mass: 162.500000    reduced_to: 39  - symbol: Dy # 40    coordinates: [  0.738090310000000,  0.750000000000000,  0.459951060000000 ]    mass: 162.500000    reduced_to: 40supercell:  lattice:  - [    13.117557480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.750768839999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.467790960000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.370224300000000,  0.245139265000000,  0.960915300000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.370224300000000,  0.745139265000000,  0.960915300000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 3    coordinates: [  0.629775700000000,  0.495139265000000,  0.039084700000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.629775700000000,  0.995139265000000,  0.039084700000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 5    coordinates: [  0.129775700000000,  0.254860735000000,  0.460915300000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.129775700000000,  0.754860735000000,  0.460915300000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 7    coordinates: [  0.870224300000000,  0.004860735000000,  0.539084700000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.870224300000000,  0.504860735000000,  0.539084700000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 9    coordinates: [  0.629775700000000,  0.254860735000000,  0.039084700000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.629775700000000,  0.754860735000000,  0.039084700000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 11    coordinates: [  0.370224300000000,  0.004860735000000,  0.960915300000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.370224300000000,  0.504860735000000,  0.960915300000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 13    coordinates: [  0.870224300000000,  0.245139265000000,  0.539084700000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.870224300000000,  0.745139265000000,  0.539084700000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 15    coordinates: [  0.129775700000000,  0.495139265000000,  0.460915300000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 16    coordinates: [  0.129775700000000,  0.995139265000000,  0.460915300000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 17    coordinates: [  0.122585450000000,  0.254986710000000,  0.922372910000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.122585450000000,  0.754986710000000,  0.922372910000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 19    coordinates: [  0.877414550000000,  0.004986710000000,  0.077627090000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.877414550000000,  0.504986710000000,  0.077627090000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 21    coordinates: [  0.377414550000000,  0.245013290000000,  0.422372910000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.377414550000000,  0.745013290000000,  0.422372910000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 23    coordinates: [  0.622585450000000,  0.495013290000000,  0.577627090000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 24    coordinates: [  0.622585450000000,  0.995013290000000,  0.577627090000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 25    coordinates: [  0.391834350000000,  0.375000000000000,  0.189154590000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 26    coordinates: [  0.391834350000000,  0.875000000000000,  0.189154590000000 ]    mass: 35.453000    reduced_to: 25  - 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symbol: Cl # 35    coordinates: [  0.824894910000000,  0.246710430000000,  0.806747450000000 ]    mass: 35.453000    reduced_to: 35  - symbol: Cl # 36    coordinates: [  0.824894910000000,  0.746710430000000,  0.806747450000000 ]    mass: 35.453000    reduced_to: 35  - symbol: Cl # 37    coordinates: [  0.324894910000000,  0.003289570000000,  0.693252550000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 38    coordinates: [  0.324894910000000,  0.503289570000000,  0.693252550000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 39    coordinates: [  0.675105090000000,  0.253289570000000,  0.306747450000000 ]    mass: 35.453000    reduced_to: 39  - symbol: Cl # 40    coordinates: [  0.675105090000000,  0.753289570000000,  0.306747450000000 ]    mass: 35.453000    reduced_to: 39  - symbol: Cl # 41    coordinates: [  0.824894910000000,  0.003289570000000,  0.806747450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 42    coordinates: [  0.824894910000000,  0.503289570000000,  0.806747450000000 ]    mass: 35.453000    reduced_to: 41  - 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