# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9093cbda-7f66-49e2-8a2f-9e81494fd147/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 In4SnS4 / Pa-3 (205) / materials id 646878](https://mdr.nims.go.jp/datasets/73e9f357-1484-4787-a4f7-10444bdf91bc)

## 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: "Pa-3"  number: 205  Hall_symbol: "-P 2ac 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    12.337954860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.337954860000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.337954860000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.769537070000000,  0.026176570000000,  0.431223690000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.526176570000000,  0.431223690000000,  0.730462930000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.230462930000000,  0.973823430000000,  0.568776310000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.228998650000000,  0.728998650000000,  0.771001350000000 ]    mass: 114.818000  - symbol: In # 5    coordinates: [  0.568776310000000,  0.269537070000000,  0.473823430000000 ]    mass: 114.818000  - symbol: In # 6    coordinates: [  0.769537070000000,  0.473823430000000,  0.931223690000000 ]    mass: 114.818000  - symbol: In # 7    coordinates: [  0.228998650000000,  0.771001350000000,  0.271001350000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.431223690000000,  0.769537070000000,  0.026176570000000 ]    mass: 114.818000  - symbol: In # 9    coordinates: [  0.931223690000000,  0.769537070000000,  0.473823430000000 ]    mass: 114.818000  - symbol: In # 10    coordinates: [  0.473823430000000,  0.568776310000000,  0.269537070000000 ]    mass: 114.818000  - symbol: In # 11    coordinates: [  0.269537070000000,  0.026176570000000,  0.068776310000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.931223690000000,  0.730462930000000,  0.973823430000000 ]    mass: 114.818000  - symbol: In # 13    coordinates: [  0.771001350000000,  0.271001350000000,  0.228998650000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.026176570000000,  0.431223690000000,  0.769537070000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.568776310000000,  0.230462930000000,  0.973823430000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.269537070000000,  0.473823430000000,  0.568776310000000 ]    mass: 114.818000  - symbol: In # 17    coordinates: [  0.730462930000000,  0.526176570000000,  0.431223690000000 ]    mass: 114.818000  - symbol: In # 18    coordinates: [  0.728998650000000,  0.728998650000000,  0.728998650000000 ]    mass: 114.818000  - symbol: In # 19    coordinates: [  0.230462930000000,  0.526176570000000,  0.068776310000000 ]    mass: 114.818000  - symbol: In # 20    coordinates: [  0.026176570000000,  0.068776310000000,  0.269537070000000 ]    mass: 114.818000  - symbol: In # 21    coordinates: [  0.526176570000000,  0.068776310000000,  0.230462930000000 ]    mass: 114.818000  - symbol: In # 22    coordinates: [  0.973823430000000,  0.931223690000000,  0.730462930000000 ]    mass: 114.818000  - symbol: In # 23    coordinates: [  0.271001350000000,  0.228998650000000,  0.771001350000000 ]    mass: 114.818000  - symbol: In # 24    coordinates: [  0.431223690000000,  0.730462930000000,  0.526176570000000 ]    mass: 114.818000  - symbol: In # 25    coordinates: [  0.728998650000000,  0.771001350000000,  0.228998650000000 ]    mass: 114.818000  - symbol: In # 26    coordinates: [  0.473823430000000,  0.931223690000000,  0.769537070000000 ]    mass: 114.818000  - symbol: In # 27    coordinates: [  0.730462930000000,  0.973823430000000,  0.931223690000000 ]    mass: 114.818000  - symbol: In # 28    coordinates: [  0.771001350000000,  0.228998650000000,  0.728998650000000 ]    mass: 114.818000  - symbol: In # 29    coordinates: [  0.068776310000000,  0.230462930000000,  0.526176570000000 ]    mass: 114.818000  - symbol: In # 30    coordinates: [  0.973823430000000,  0.568776310000000,  0.230462930000000 ]    mass: 114.818000  - symbol: In # 31    coordinates: [  0.068776310000000,  0.269537070000000,  0.026176570000000 ]    mass: 114.818000  - symbol: In # 32    coordinates: [  0.271001350000000,  0.271001350000000,  0.271001350000000 ]    mass: 114.818000  - symbol: Sn # 33    coordinates: [  0.598995250000000,  0.901004750000000,  0.098995250000000 ]    mass: 118.710000  - symbol: Sn # 34    coordinates: [  0.598995250000000,  0.598995250000000,  0.598995250000000 ]    mass: 118.710000  - symbol: Sn # 35    coordinates: [  0.401004750000000,  0.098995250000000,  0.901004750000000 ]    mass: 118.710000  - symbol: Sn # 36    coordinates: [  0.901004750000000,  0.098995250000000,  0.598995250000000 ]    mass: 118.710000  - symbol: Sn # 37    coordinates: [  0.901004750000000,  0.401004750000000,  0.098995250000000 ]    mass: 118.710000  - symbol: Sn # 38    coordinates: [  0.098995250000000,  0.901004750000000,  0.401004750000000 ]    mass: 118.710000  - symbol: Sn # 39    coordinates: [  0.098995250000000,  0.598995250000000,  0.901004750000000 ]    mass: 118.710000  - symbol: Sn # 40    coordinates: [  0.401004750000000,  0.401004750000000,  0.401004750000000 ]    mass: 118.710000  - symbol: S  # 41    coordinates: [  0.071439800000000,  0.261307360000000,  0.322478070000000 ]    mass: 32.065000  - symbol: S  # 42    coordinates: [  0.428560200000000,  0.761307360000000,  0.322478070000000 ]    mass: 32.065000  - symbol: S  # 43    coordinates: [  0.761307360000000,  0.177521930000000,  0.928560200000000 ]    mass: 32.065000  - symbol: S  # 44    coordinates: [  0.261307360000000,  0.322478070000000,  0.071439800000000 ]    mass: 32.065000  - symbol: S  # 45    coordinates: [  0.928560200000000,  0.761307360000000,  0.177521930000000 ]    mass: 32.065000  - symbol: S  # 46    coordinates: [  0.573843480000000,  0.426156520000000,  0.926156520000000 ]    mass: 32.065000  - symbol: S  # 47    coordinates: [  0.738692640000000,  0.822478070000000,  0.428560200000000 ]    mass: 32.065000  - symbol: S  # 48    coordinates: [  0.928560200000000,  0.738692640000000,  0.677521930000000 ]    mass: 32.065000  - symbol: S  # 49    coordinates: [  0.677521930000000,  0.928560200000000,  0.738692640000000 ]    mass: 32.065000  - symbol: S  # 50    coordinates: [  0.428560200000000,  0.738692640000000,  0.822478070000000 ]    mass: 32.065000  - symbol: S  # 51    coordinates: [  0.177521930000000,  0.928560200000000,  0.761307360000000 ]    mass: 32.065000  - symbol: S  # 52    coordinates: [  0.571439800000000,  0.261307360000000,  0.177521930000000 ]    mass: 32.065000  - symbol: S  # 53    coordinates: [  0.071439800000000,  0.238692640000000,  0.822478070000000 ]    mass: 32.065000  - symbol: S  # 54    coordinates: [  0.761307360000000,  0.322478070000000,  0.428560200000000 ]    mass: 32.065000  - symbol: S  # 55    coordinates: [  0.822478070000000,  0.071439800000000,  0.238692640000000 ]    mass: 32.065000  - symbol: S  # 56    coordinates: [  0.073843480000000,  0.426156520000000,  0.573843480000000 ]    mass: 32.065000  - symbol: S  # 57    coordinates: [  0.177521930000000,  0.571439800000000,  0.261307360000000 ]    mass: 32.065000  - symbol: S  # 58    coordinates: [  0.822478070000000,  0.428560200000000,  0.738692640000000 ]    mass: 32.065000  - symbol: S  # 59    coordinates: [  0.573843480000000,  0.073843480000000,  0.426156520000000 ]    mass: 32.065000  - symbol: S  # 60    coordinates: [  0.073843480000000,  0.073843480000000,  0.073843480000000 ]    mass: 32.065000  - symbol: S  # 61    coordinates: [  0.261307360000000,  0.177521930000000,  0.571439800000000 ]    mass: 32.065000  - symbol: S  # 62    coordinates: [  0.677521930000000,  0.571439800000000,  0.238692640000000 ]    mass: 32.065000  - symbol: S  # 63    coordinates: [  0.426156520000000,  0.573843480000000,  0.073843480000000 ]    mass: 32.065000  - symbol: S  # 64    coordinates: [  0.238692640000000,  0.677521930000000,  0.571439800000000 ]    mass: 32.065000  - symbol: S  # 65    coordinates: [  0.738692640000000,  0.677521930000000,  0.928560200000000 ]    mass: 32.065000  - symbol: S  # 66    coordinates: [  0.322478070000000,  0.428560200000000,  0.761307360000000 ]    mass: 32.065000  - symbol: S  # 67    coordinates: [  0.322478070000000,  0.071439800000000,  0.261307360000000 ]    mass: 32.065000  - symbol: S  # 68    coordinates: [  0.238692640000000,  0.822478070000000,  0.071439800000000 ]    mass: 32.065000  - symbol: S  # 69    coordinates: [  0.426156520000000,  0.926156520000000,  0.573843480000000 ]    mass: 32.065000  - symbol: S  # 70    coordinates: [  0.926156520000000,  0.926156520000000,  0.926156520000000 ]    mass: 32.065000  - symbol: S  # 71    coordinates: [  0.571439800000000,  0.238692640000000,  0.677521930000000 ]    mass: 32.065000  - symbol: S  # 72    coordinates: [  0.926156520000000,  0.573843480000000,  0.426156520000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.081050709890504,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.081050709890504,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.081050709890504 ] # c*unit_cell:  lattice:  - [    12.337954860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.337954860000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.337954860000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.769537070000000,  0.026176570000000,  0.431223690000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.526176570000000,  0.431223690000000,  0.730462930000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.230462930000000,  0.973823430000000,  0.568776310000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.228998650000000,  0.728998650000000,  0.771001350000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.568776310000000,  0.269537070000000,  0.473823430000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.769537070000000,  0.473823430000000,  0.931223690000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.228998650000000,  0.771001350000000,  0.271001350000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.431223690000000,  0.769537070000000,  0.026176570000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 9    coordinates: [  0.931223690000000,  0.769537070000000,  0.473823430000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.473823430000000,  0.568776310000000,  0.269537070000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 11    coordinates: [  0.269537070000000,  0.026176570000000,  0.068776310000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 12    coordinates: [  0.931223690000000,  0.730462930000000,  0.973823430000000 ]    mass: 114.818000    reduced_to: 12  - symbol: In # 13    coordinates: [  0.771001350000000,  0.271001350000000,  0.228998650000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.026176570000000,  0.431223690000000,  0.769537070000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.568776310000000,  0.230462930000000,  0.973823430000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.269537070000000,  0.473823430000000,  0.568776310000000 ]    mass: 114.818000    reduced_to: 16  - symbol: In # 17    coordinates: [  0.730462930000000,  0.526176570000000,  0.431223690000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.728998650000000,  0.728998650000000,  0.728998650000000 ]    mass: 114.818000    reduced_to: 18  - symbol: In # 19    coordinates: [  0.230462930000000,  0.526176570000000,  0.068776310000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 20    coordinates: [  0.026176570000000,  0.068776310000000,  0.269537070000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 21    coordinates: [  0.526176570000000,  0.068776310000000,  0.230462930000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 22    coordinates: [  0.973823430000000,  0.931223690000000,  0.730462930000000 ]    mass: 114.818000    reduced_to: 22  - symbol: In # 23    coordinates: [  0.271001350000000,  0.228998650000000,  0.771001350000000 ]    mass: 114.818000    reduced_to: 23  - symbol: In # 24    coordinates: [  0.431223690000000,  0.730462930000000,  0.526176570000000 ]    mass: 114.818000    reduced_to: 24  - symbol: In # 25    coordinates: [  0.728998650000000,  0.771001350000000,  0.228998650000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.473823430000000,  0.931223690000000,  0.769537070000000 ]    mass: 114.818000    reduced_to: 26  - symbol: In # 27    coordinates: [  0.730462930000000,  0.973823430000000,  0.931223690000000 ]    mass: 114.818000    reduced_to: 27  - symbol: In # 28    coordinates: [  0.771001350000000,  0.228998650000000,  0.728998650000000 ]    mass: 114.818000    reduced_to: 28  - symbol: In # 29    coordinates: [  0.068776310000000,  0.230462930000000,  0.526176570000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 30    coordinates: [  0.973823430000000,  0.568776310000000,  0.230462930000000 ]    mass: 114.818000    reduced_to: 30  - symbol: In # 31    coordinates: [  0.068776310000000,  0.269537070000000,  0.026176570000000 ]    mass: 114.818000    reduced_to: 31  - symbol: In # 32    coordinates: [  0.271001350000000,  0.271001350000000,  0.271001350000000 ]    mass: 114.818000    reduced_to: 32  - symbol: Sn # 33    coordinates: [  0.598995250000000,  0.901004750000000,  0.098995250000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 34    coordinates: [  0.598995250000000,  0.598995250000000,  0.598995250000000 ]    mass: 118.710000    reduced_to: 34  - symbol: Sn # 35    coordinates: [  0.401004750000000,  0.098995250000000,  0.901004750000000 ]    mass: 118.710000    reduced_to: 35  - symbol: Sn # 36    coordinates: [  0.901004750000000,  0.098995250000000,  0.598995250000000 ]    mass: 118.710000    reduced_to: 36  - symbol: Sn # 37    coordinates: [  0.901004750000000,  0.401004750000000,  0.098995250000000 ]    mass: 118.710000    reduced_to: 37  - symbol: Sn # 38    coordinates: [  0.098995250000000,  0.901004750000000,  0.401004750000000 ]    mass: 118.710000    reduced_to: 38  - symbol: Sn # 39    coordinates: [  0.098995250000000,  0.598995250000000,  0.901004750000000 ]    mass: 118.710000    reduced_to: 39  - symbol: Sn # 40    coordinates: [  0.401004750000000,  0.401004750000000,  0.401004750000000 ]    mass: 118.710000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.071439800000000,  0.261307360000000,  0.322478070000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.428560200000000,  0.761307360000000,  0.322478070000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.761307360000000,  0.177521930000000,  0.928560200000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.261307360000000,  0.322478070000000,  0.071439800000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.928560200000000,  0.761307360000000,  0.177521930000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.573843480000000,  0.426156520000000,  0.926156520000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.738692640000000,  0.822478070000000,  0.428560200000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.928560200000000,  0.738692640000000,  0.677521930000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.677521930000000,  0.928560200000000,  0.738692640000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.428560200000000,  0.738692640000000,  0.822478070000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 51    coordinates: [  0.177521930000000,  0.928560200000000,  0.761307360000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.571439800000000,  0.261307360000000,  0.177521930000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.071439800000000,  0.238692640000000,  0.822478070000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.761307360000000,  0.322478070000000,  0.428560200000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 55    coordinates: [  0.822478070000000,  0.071439800000000,  0.238692640000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.073843480000000,  0.426156520000000,  0.573843480000000 ]    mass: 32.065000    reduced_to: 56  - symbol: S  # 57    coordinates: [  0.177521930000000,  0.571439800000000,  0.261307360000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.822478070000000,  0.428560200000000,  0.738692640000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 59    coordinates: [  0.573843480000000,  0.073843480000000,  0.426156520000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.073843480000000,  0.073843480000000,  0.073843480000000 ]    mass: 32.065000    reduced_to: 60  - symbol: S  # 61    coordinates: [  0.261307360000000,  0.177521930000000,  0.571439800000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.677521930000000,  0.571439800000000,  0.238692640000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 63    coordinates: [  0.426156520000000,  0.573843480000000,  0.073843480000000 ]    mass: 32.065000    reduced_to: 63  - 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