# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ed8707bb-3511-482f-9869-1d4cbf08c766/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 Cs2As3 / Fmmm (69) / materials id 15557](https://mdr.nims.go.jp/datasets/2d34bf7a-eae4-46e2-abea-828e99f37a7a)

## 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: "Fmmm"  number: 69  Hall_symbol: "-F 2 2"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     5.188173580000000,     7.762178780000000 ] # a  - [     4.770184820000000,     0.000000000000000,     7.762178780000000 ] # b  - [     4.770184820000000,     5.188173580000000,     0.000000000000000 ] # c  points:  - symbol: As # 1    coordinates: [  0.639462560000000,  0.206937880000000,  0.360537440000000 ]    mass: 74.921600  - symbol: As # 2    coordinates: [  0.793062120000000,  0.360537440000000,  0.206937880000000 ]    mass: 74.921600  - symbol: As # 3    coordinates: [  0.360537440000000,  0.793062120000000,  0.639462560000000 ]    mass: 74.921600  - symbol: As # 4    coordinates: [  0.206937880000000,  0.639462560000000,  0.793062120000000 ]    mass: 74.921600  - symbol: As # 5    coordinates: [  0.345485670000000,  0.345485670000000,  0.654514330000000 ]    mass: 74.921600  - symbol: As # 6    coordinates: [  0.654514330000000,  0.654514330000000,  0.345485670000000 ]    mass: 74.921600  - symbol: Cs # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Cs # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Cs # 9    coordinates: [  0.231563060000000,  0.768436940000000,  0.231563060000000 ]    mass: 132.905452  - symbol: Cs # 10    coordinates: [  0.768436940000000,  0.231563060000000,  0.768436940000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [    -0.104817741632074,     0.096373028444434,     0.064414903878315 ] # a*  - [     0.104817741632074,    -0.096373028444434,     0.064414903878315 ] # b*  - [     0.104817741632074,     0.096373028444434,    -0.064414903878315 ] # c*unit_cell:  lattice:  - [     9.540369640000000,    -0.000000000000000,     0.000000000000000 ] # a  - [    -0.000000000000000,    10.376347160000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.524357560000000 ] # c  points:  - symbol: As # 1    coordinates: [  0.783737660000000,  0.500000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 2    coordinates: [  0.283737660000000,  0.500000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 3    coordinates: [  0.716262340000000,  0.500000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 4    coordinates: [  0.216262340000000,  0.500000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.845485670000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.654514330000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 7    coordinates: [  0.783737660000000,  0.000000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 8    coordinates: [  0.283737660000000,  0.000000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 9    coordinates: [  0.716262340000000,  0.000000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 10    coordinates: [  0.216262340000000,  0.000000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.345485670000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.154514330000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 13    coordinates: [  0.283737660000000,  0.500000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 14    coordinates: [  0.783737660000000,  0.500000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 15    coordinates: [  0.216262340000000,  0.500000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 16    coordinates: [  0.716262340000000,  0.500000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 17    coordinates: [  0.500000000000000,  0.500000000000000,  0.345485670000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.154514330000000 ]    mass: 74.921600    reduced_to: 6  - symbol: As # 19    coordinates: [  0.283737660000000,  0.000000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 20    coordinates: [  0.783737660000000,  0.000000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 2  - symbol: As # 21    coordinates: [  0.216262340000000,  0.000000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 22    coordinates: [  0.716262340000000,  0.000000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 4  - symbol: As # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.845485670000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.654514330000000 ]    mass: 74.921600    reduced_to: 6  - symbol: Cs # 25    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 26    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 26  - symbol: Cs # 27    coordinates: [  0.500000000000000,  0.731563060000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 27  - symbol: Cs # 28    coordinates: [  0.500000000000000,  0.268436940000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 28  - symbol: Cs # 29    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 26  - symbol: Cs # 31    coordinates: [  0.500000000000000,  0.231563060000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 27  - symbol: Cs # 32    coordinates: [  0.500000000000000,  0.768436940000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 28  - symbol: Cs # 33    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 34    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 26  - symbol: Cs # 35    coordinates: [  0.000000000000000,  0.731563060000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 27  - symbol: Cs # 36    coordinates: [  0.000000000000000,  0.268436940000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 28  - symbol: Cs # 37    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 26  - symbol: Cs # 39    coordinates: [  0.000000000000000,  0.231563060000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 27  - symbol: Cs # 40    coordinates: [  0.000000000000000,  0.768436940000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 28supercell:  lattice:  - [    19.080739280000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.376347160000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.524357560000000 ] # c  points:  - symbol: As # 1    coordinates: [  0.391868830000000,  0.500000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 2    coordinates: [  0.891868830000000,  0.500000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 3    coordinates: [  0.141868830000000,  0.500000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 4    coordinates: [  0.641868830000000,  0.500000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 5    coordinates: [  0.358131170000000,  0.500000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 6    coordinates: [  0.858131170000000,  0.500000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 7    coordinates: [  0.108131170000000,  0.500000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 8    coordinates: [  0.608131170000000,  0.500000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.845485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.845485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 11    coordinates: [  0.250000000000000,  0.500000000000000,  0.654514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 12    coordinates: [  0.750000000000000,  0.500000000000000,  0.654514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 13    coordinates: [  0.391868830000000,  0.000000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 14    coordinates: [  0.891868830000000,  0.000000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 15    coordinates: [  0.141868830000000,  0.000000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 16    coordinates: [  0.641868830000000,  0.000000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 17    coordinates: [  0.358131170000000,  0.000000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 18    coordinates: [  0.858131170000000,  0.000000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 19    coordinates: [  0.108131170000000,  0.000000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 20    coordinates: [  0.608131170000000,  0.000000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.345485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.345485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 23    coordinates: [  0.250000000000000,  0.000000000000000,  0.154514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 24    coordinates: [  0.750000000000000,  0.000000000000000,  0.154514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 25    coordinates: [  0.141868830000000,  0.500000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 26    coordinates: [  0.641868830000000,  0.500000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 27    coordinates: [  0.391868830000000,  0.500000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 28    coordinates: [  0.891868830000000,  0.500000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 29    coordinates: [  0.108131170000000,  0.500000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 30    coordinates: [  0.608131170000000,  0.500000000000000,  0.076799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 31    coordinates: [  0.358131170000000,  0.500000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 32    coordinates: [  0.858131170000000,  0.500000000000000,  0.423200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 33    coordinates: [  0.250000000000000,  0.500000000000000,  0.345485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 34    coordinates: [  0.750000000000000,  0.500000000000000,  0.345485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 35    coordinates: [  0.000000000000000,  0.500000000000000,  0.154514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.154514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 37    coordinates: [  0.141868830000000,  0.000000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 38    coordinates: [  0.641868830000000,  0.000000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 1  - symbol: As # 39    coordinates: [  0.391868830000000,  0.000000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 40    coordinates: [  0.891868830000000,  0.000000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 3  - symbol: As # 41    coordinates: [  0.108131170000000,  0.000000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 42    coordinates: [  0.608131170000000,  0.000000000000000,  0.576799780000000 ]    mass: 74.921600    reduced_to: 5  - symbol: As # 43    coordinates: [  0.358131170000000,  0.000000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 44    coordinates: [  0.858131170000000,  0.000000000000000,  0.923200220000000 ]    mass: 74.921600    reduced_to: 7  - symbol: As # 45    coordinates: [  0.250000000000000,  0.000000000000000,  0.845485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 46    coordinates: [  0.750000000000000,  0.000000000000000,  0.845485670000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 47    coordinates: [  0.000000000000000,  0.000000000000000,  0.654514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: As # 48    coordinates: [  0.500000000000000,  0.000000000000000,  0.654514330000000 ]    mass: 74.921600    reduced_to: 11  - symbol: Cs # 49    coordinates: [  0.375000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 50    coordinates: [  0.875000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 51    coordinates: [  0.375000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 52    coordinates: [  0.875000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 53    coordinates: [  0.250000000000000,  0.731563060000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 54    coordinates: [  0.750000000000000,  0.731563060000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 55    coordinates: [  0.250000000000000,  0.268436940000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 56    coordinates: [  0.750000000000000,  0.268436940000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 57    coordinates: [  0.375000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 58    coordinates: [  0.875000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 59    coordinates: [  0.375000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 60    coordinates: [  0.875000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 61    coordinates: [  0.250000000000000,  0.231563060000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 62    coordinates: [  0.750000000000000,  0.231563060000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 63    coordinates: [  0.250000000000000,  0.768436940000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 64    coordinates: [  0.750000000000000,  0.768436940000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 65    coordinates: [  0.125000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 66    coordinates: [  0.625000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 67    coordinates: [  0.125000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 68    coordinates: [  0.625000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 69    coordinates: [  0.000000000000000,  0.731563060000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 70    coordinates: [  0.500000000000000,  0.731563060000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 71    coordinates: [  0.000000000000000,  0.268436940000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 72    coordinates: [  0.500000000000000,  0.268436940000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 73    coordinates: [  0.125000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 74    coordinates: [  0.625000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 75    coordinates: [  0.125000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 76    coordinates: [  0.625000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 51  - symbol: Cs # 77    coordinates: [  0.000000000000000,  0.231563060000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 78    coordinates: [  0.500000000000000,  0.231563060000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 53  - symbol: Cs # 79    coordinates: [  0.000000000000000,  0.768436940000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 55  - symbol: Cs # 80    coordinates: [  0.500000000000000,  0.768436940000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 55displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0882526500000000,  0.0000000000000000,  0.0207854600000000 ]  - [   0.0005863400000000,  0.0000000000000000, -0.0002821100000000 ]  - [   0.0003477800000000,  0.0000000000000000,  0.0004070400000000 ]  - 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