# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/227e23c9-03b3-4329-886b-fed81ecda5ff/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 In4GeS4 / Pa-3 (205) / materials id 556528](https://mdr.nims.go.jp/datasets/c126460a-9bcf-45c1-aaea-55067113c14d)

## 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:  - [    12.161929110000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.161929110000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.161929110000001 ] # c  points:  - symbol: In # 1    coordinates: [  0.273940890000000,  0.466013770000000,  0.561396330000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.724350910000000,  0.775649090000000,  0.224350910000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.966013770000000,  0.561396330000000,  0.226059110000000 ]    mass: 114.818000  - 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symbol: In # 13    coordinates: [  0.533986230000000,  0.061396330000000,  0.226059110000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.226059110000000,  0.966013770000000,  0.561396330000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.061396330000000,  0.226059110000000,  0.533986230000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.466013770000000,  0.561396330000000,  0.273940890000000 ]    mass: 114.818000  - symbol: In # 17    coordinates: [  0.273940890000000,  0.033986230000000,  0.061396330000000 ]    mass: 114.818000  - symbol: In # 18    coordinates: [  0.938603670000000,  0.726059110000000,  0.966013770000000 ]    mass: 114.818000  - symbol: In # 19    coordinates: [  0.466013770000000,  0.938603670000000,  0.773940890000000 ]    mass: 114.818000  - symbol: In # 20    coordinates: [  0.938603670000000,  0.773940890000000,  0.466013770000000 ]    mass: 114.818000  - symbol: In # 21    coordinates: [  0.724350910000000,  0.724350910000000,  0.724350910000000 ]    mass: 114.818000  - 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symbol: In # 31    coordinates: [  0.773940890000000,  0.466013770000000,  0.938603670000000 ]    mass: 114.818000  - symbol: In # 32    coordinates: [  0.061396330000000,  0.273940890000000,  0.033986230000000 ]    mass: 114.818000  - symbol: Ge # 33    coordinates: [  0.600258540000000,  0.600258540000000,  0.600258540000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.399741460000000,  0.399741460000000,  0.399741460000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.899741460000000,  0.100258540000000,  0.600258540000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.100258540000000,  0.600258540000000,  0.899741460000000 ]    mass: 72.640000  - symbol: Ge # 37    coordinates: [  0.899741460000000,  0.399741460000000,  0.100258540000000 ]    mass: 72.640000  - symbol: Ge # 38    coordinates: [  0.600258540000000,  0.899741460000000,  0.100258540000000 ]    mass: 72.640000  - symbol: Ge # 39    coordinates: [  0.399741460000000,  0.100258540000000,  0.899741460000000 ]    mass: 72.640000  - symbol: Ge # 40    coordinates: [  0.100258540000000,  0.899741460000000,  0.399741460000000 ]    mass: 72.640000  - symbol: S  # 41    coordinates: [  0.827323570000000,  0.426725170000000,  0.742261770000000 ]    mass: 32.065000  - symbol: S  # 42    coordinates: [  0.242261770000000,  0.827323570000000,  0.073274830000000 ]    mass: 32.065000  - symbol: S  # 43    coordinates: [  0.242261770000000,  0.672676430000000,  0.573274830000000 ]    mass: 32.065000  - symbol: S  # 44    coordinates: [  0.926725170000000,  0.757738230000000,  0.172676430000000 ]    mass: 32.065000  - symbol: S  # 45    coordinates: [  0.925731960000000,  0.574268040000000,  0.425731960000000 ]    mass: 32.065000  - symbol: S  # 46    coordinates: [  0.573274830000000,  0.257738230000000,  0.172676430000000 ]    mass: 32.065000  - symbol: S  # 47    coordinates: [  0.073274830000000,  0.242261770000000,  0.827323570000000 ]    mass: 32.065000  - symbol: S  # 48    coordinates: [  0.073274830000000,  0.257738230000000,  0.327323570000000 ]    mass: 32.065000  - symbol: S  # 49    coordinates: [  0.327323570000000,  0.073274830000000,  0.257738230000000 ]    mass: 32.065000  - symbol: S  # 50    coordinates: [  0.574268040000000,  0.074268040000000,  0.425731960000000 ]    mass: 32.065000  - symbol: S  # 51    coordinates: [  0.757738230000000,  0.327323570000000,  0.426725170000000 ]    mass: 32.065000  - symbol: S  # 52    coordinates: [  0.672676430000000,  0.573274830000000,  0.242261770000000 ]    mass: 32.065000  - symbol: S  # 53    coordinates: [  0.827323570000000,  0.073274830000000,  0.242261770000000 ]    mass: 32.065000  - symbol: S  # 54    coordinates: [  0.426725170000000,  0.757738230000000,  0.327323570000000 ]    mass: 32.065000  - symbol: S  # 55    coordinates: [  0.757738230000000,  0.172676430000000,  0.926725170000000 ]    mass: 32.065000  - symbol: S  # 56    coordinates: [  0.074268040000000,  0.425731960000000,  0.574268040000000 ]    mass: 32.065000  - symbol: S  # 57    coordinates: [  0.327323570000000,  0.426725170000000,  0.757738230000000 ]    mass: 32.065000  - symbol: S  # 58    coordinates: [  0.742261770000000,  0.827323570000000,  0.426725170000000 ]    mass: 32.065000  - symbol: S  # 59    coordinates: [  0.257738230000000,  0.327323570000000,  0.073274830000000 ]    mass: 32.065000  - symbol: S  # 60    coordinates: [  0.426725170000000,  0.742261770000000,  0.827323570000000 ]    mass: 32.065000  - symbol: S  # 61    coordinates: [  0.425731960000000,  0.574268040000000,  0.074268040000000 ]    mass: 32.065000  - symbol: S  # 62    coordinates: [  0.925731960000000,  0.925731960000000,  0.925731960000000 ]    mass: 32.065000  - symbol: S  # 63    coordinates: [  0.172676430000000,  0.573274830000000,  0.257738230000000 ]    mass: 32.065000  - symbol: S  # 64    coordinates: [  0.672676430000000,  0.926725170000000,  0.742261770000000 ]    mass: 32.065000  - symbol: S  # 65    coordinates: [  0.172676430000000,  0.926725170000000,  0.757738230000000 ]    mass: 32.065000  - symbol: S  # 66    coordinates: [  0.926725170000000,  0.742261770000000,  0.672676430000000 ]    mass: 32.065000  - symbol: S  # 67    coordinates: [  0.573274830000000,  0.242261770000000,  0.672676430000000 ]    mass: 32.065000  - symbol: S  # 68    coordinates: [  0.257738230000000,  0.172676430000000,  0.573274830000000 ]    mass: 32.065000  - symbol: S  # 69    coordinates: [  0.742261770000000,  0.672676430000000,  0.926725170000000 ]    mass: 32.065000  - symbol: S  # 70    coordinates: [  0.425731960000000,  0.925731960000000,  0.574268040000000 ]    mass: 32.065000  - symbol: S  # 71    coordinates: [  0.074268040000000,  0.074268040000000,  0.074268040000000 ]    mass: 32.065000  - symbol: S  # 72    coordinates: [  0.574268040000000,  0.425731960000000,  0.925731960000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.082223797800117,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.082223797800117,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.082223797800117 ] # c*unit_cell:  lattice:  - [    12.161929110000001,     0.000000000000000,     0.000000000000000 ] # a  - 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symbol: In # 8    coordinates: [  0.224350910000000,  0.724350910000000,  0.775649090000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 9    coordinates: [  0.561396330000000,  0.273940890000000,  0.466013770000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.226059110000000,  0.533986230000000,  0.061396330000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 11    coordinates: [  0.561396330000000,  0.226059110000000,  0.966013770000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 12    coordinates: [  0.726059110000000,  0.966013770000000,  0.938603670000000 ]    mass: 114.818000    reduced_to: 12  - symbol: In # 13    coordinates: [  0.533986230000000,  0.061396330000000,  0.226059110000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.226059110000000,  0.966013770000000,  0.561396330000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.061396330000000,  0.226059110000000,  0.533986230000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.466013770000000,  0.561396330000000,  0.273940890000000 ]    mass: 114.818000    reduced_to: 16  - symbol: In # 17    coordinates: [  0.273940890000000,  0.033986230000000,  0.061396330000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.938603670000000,  0.726059110000000,  0.966013770000000 ]    mass: 114.818000    reduced_to: 18  - symbol: In # 19    coordinates: [  0.466013770000000,  0.938603670000000,  0.773940890000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 20    coordinates: [  0.938603670000000,  0.773940890000000,  0.466013770000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 21    coordinates: [  0.724350910000000,  0.724350910000000,  0.724350910000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 22    coordinates: [  0.775649090000000,  0.224350910000000,  0.724350910000000 ]    mass: 114.818000    reduced_to: 22  - symbol: In # 23    coordinates: [  0.773940890000000,  0.033986230000000,  0.438603670000000 ]    mass: 114.818000    reduced_to: 23  - symbol: In # 24    coordinates: [  0.775649090000000,  0.275649090000000,  0.224350910000000 ]    mass: 114.818000    reduced_to: 24  - symbol: In # 25    coordinates: [  0.275649090000000,  0.224350910000000,  0.775649090000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.533986230000000,  0.438603670000000,  0.726059110000000 ]    mass: 114.818000    reduced_to: 26  - symbol: In # 27    coordinates: [  0.033986230000000,  0.438603670000000,  0.773940890000000 ]    mass: 114.818000    reduced_to: 27  - symbol: In # 28    coordinates: [  0.438603670000000,  0.726059110000000,  0.533986230000000 ]    mass: 114.818000    reduced_to: 28  - symbol: In # 29    coordinates: [  0.224350910000000,  0.775649090000000,  0.275649090000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 30    coordinates: [  0.726059110000000,  0.533986230000000,  0.438603670000000 ]    mass: 114.818000    reduced_to: 30  - symbol: In # 31    coordinates: [  0.773940890000000,  0.466013770000000,  0.938603670000000 ]    mass: 114.818000    reduced_to: 31  - symbol: In # 32    coordinates: [  0.061396330000000,  0.273940890000000,  0.033986230000000 ]    mass: 114.818000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.600258540000000,  0.600258540000000,  0.600258540000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.399741460000000,  0.399741460000000,  0.399741460000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.899741460000000,  0.100258540000000,  0.600258540000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.100258540000000,  0.600258540000000,  0.899741460000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Ge # 37    coordinates: [  0.899741460000000,  0.399741460000000,  0.100258540000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 38    coordinates: [  0.600258540000000,  0.899741460000000,  0.100258540000000 ]    mass: 72.640000    reduced_to: 38  - symbol: Ge # 39    coordinates: [  0.399741460000000,  0.100258540000000,  0.899741460000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 40    coordinates: [  0.100258540000000,  0.899741460000000,  0.399741460000000 ]    mass: 72.640000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.827323570000000,  0.426725170000000,  0.742261770000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.242261770000000,  0.827323570000000,  0.073274830000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.242261770000000,  0.672676430000000,  0.573274830000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.926725170000000,  0.757738230000000,  0.172676430000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.925731960000000,  0.574268040000000,  0.425731960000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.573274830000000,  0.257738230000000,  0.172676430000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.073274830000000,  0.242261770000000,  0.827323570000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.073274830000000,  0.257738230000000,  0.327323570000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.327323570000000,  0.073274830000000,  0.257738230000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.574268040000000,  0.074268040000000,  0.425731960000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 51    coordinates: [  0.757738230000000,  0.327323570000000,  0.426725170000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.672676430000000,  0.573274830000000,  0.242261770000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.827323570000000,  0.073274830000000,  0.242261770000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.426725170000000,  0.757738230000000,  0.327323570000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 55    coordinates: [  0.757738230000000,  0.172676430000000,  0.926725170000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.074268040000000,  0.425731960000000,  0.574268040000000 ]    mass: 32.065000    reduced_to: 56  - symbol: S  # 57    coordinates: [  0.327323570000000,  0.426725170000000,  0.757738230000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.742261770000000,  0.827323570000000,  0.426725170000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 59    coordinates: [  0.257738230000000,  0.327323570000000,  0.073274830000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.426725170000000,  0.742261770000000,  0.827323570000000 ]    mass: 32.065000    reduced_to: 60  - symbol: S  # 61    coordinates: [  0.425731960000000,  0.574268040000000,  0.074268040000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.925731960000000,  0.925731960000000,  0.925731960000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 63    coordinates: [  0.172676430000000,  0.573274830000000,  0.257738230000000 ]    mass: 32.065000    reduced_to: 63  - 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