# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/78c0c2a5-4831-4acd-8c79-eb381f741089/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 In3(PO4)2 / I-43d (220) / materials id 28708](https://mdr.nims.go.jp/datasets/b17d829b-c9fa-4d7a-9356-308e3b650aad)

## 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: "I-43d"  number: 220  Hall_symbol: "I -4bd 2c 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -5.571601990000000,     5.571601990000000,     5.571601990000000 ] # a  - [     5.571601990000000,    -5.571601990000000,     5.571601990000000 ] # b  - [     5.571601990000000,     5.571601990000000,    -5.571601990000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.925446940000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.425446940000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.074553060000000,  0.074553060000000,  0.074553060000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.425446940000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.574553060000000,  0.574553060000000,  0.574553060000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.925446940000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.925446940000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.425446940000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.164256450000000,  0.244331090000000,  0.659440520000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.659440520000000,  0.164256450000000,  0.244331090000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.255668910000000,  0.419925360000000,  0.415109430000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.084890570000000,  0.504815930000000,  0.840559480000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.080074640000000,  0.335743550000000,  0.995184070000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.244331090000000,  0.659440520000000,  0.164256450000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.004815930000000,  0.584890570000000,  0.340559480000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.495184070000000,  0.835743550000000,  0.580074640000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.755668910000000,  0.915109430000000,  0.919925360000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.580074640000000,  0.495184070000000,  0.835743550000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.584890570000000,  0.340559480000000,  0.004815930000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.664256450000000,  0.159440520000000,  0.744331090000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.744331090000000,  0.664256450000000,  0.159440520000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.995184070000000,  0.080074640000000,  0.335743550000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.504815930000000,  0.840559480000000,  0.084890570000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.419925360000000,  0.415109430000000,  0.255668910000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.840559480000000,  0.084890570000000,  0.504815930000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.335743550000000,  0.995184070000000,  0.080074640000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.415109430000000,  0.255668910000000,  0.419925360000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.340559480000000,  0.004815930000000,  0.584890570000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.915109430000000,  0.919925360000000,  0.755668910000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.919925360000000,  0.755668910000000,  0.915109430000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.835743550000000,  0.580074640000000,  0.495184070000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.159440520000000,  0.744331090000000,  0.664256450000000 ]    mass: 15.999400  - symbol: P  # 33    coordinates: [  0.089369520000000,  0.500000000000000,  0.000000000000000 ]    mass: 30.973762  - symbol: P  # 34    coordinates: [  0.000000000000000,  0.589369520000000,  0.500000000000000 ]    mass: 30.973762  - symbol: P  # 35    coordinates: [  0.910630480000000,  0.910630480000000,  0.910630480000000 ]    mass: 30.973762  - symbol: P  # 36    coordinates: [  0.500000000000000,  0.000000000000000,  0.589369520000000 ]    mass: 30.973762  - symbol: P  # 37    coordinates: [  0.410630480000000,  0.410630480000000,  0.410630480000000 ]    mass: 30.973762  - symbol: P  # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.089369520000000 ]    mass: 30.973762  - symbol: P  # 39    coordinates: [  0.000000000000000,  0.089369520000000,  0.500000000000000 ]    mass: 30.973762  - symbol: P  # 40    coordinates: [  0.589369520000000,  0.500000000000000,  0.000000000000000 ]    mass: 30.973762  - symbol: In # 41    coordinates: [  0.244207760000000,  0.994207760000000,  0.250000000000000 ]    mass: 114.818000  - symbol: In # 42    coordinates: [  0.005792240000000,  0.755792240000000,  0.250000000000000 ]    mass: 114.818000  - symbol: In # 43    coordinates: [  0.744207760000000,  0.750000000000000,  0.494207760000000 ]    mass: 114.818000  - symbol: In # 44    coordinates: [  0.250000000000000,  0.005792240000000,  0.755792240000000 ]    mass: 114.818000  - symbol: In # 45    coordinates: [  0.755792240000000,  0.250000000000000,  0.005792240000000 ]    mass: 114.818000  - symbol: In # 46    coordinates: [  0.750000000000000,  0.494207760000000,  0.744207760000000 ]    mass: 114.818000  - symbol: In # 47    coordinates: [  0.255792240000000,  0.505792240000000,  0.750000000000000 ]    mass: 114.818000  - symbol: In # 48    coordinates: [  0.250000000000000,  0.244207760000000,  0.994207760000000 ]    mass: 114.818000  - symbol: In # 49    coordinates: [  0.750000000000000,  0.255792240000000,  0.505792240000000 ]    mass: 114.818000  - symbol: In # 50    coordinates: [  0.994207760000000,  0.250000000000000,  0.244207760000000 ]    mass: 114.818000  - symbol: In # 51    coordinates: [  0.505792240000000,  0.750000000000000,  0.255792240000000 ]    mass: 114.818000  - symbol: In # 52    coordinates: [  0.494207760000000,  0.744207760000000,  0.750000000000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.089740796434743,     0.089740796434743 ] # a*  - [     0.089740796434743,     0.000000000000000,     0.089740796434743 ] # b*  - [     0.089740796434743,     0.089740796434743,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    11.143203979999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.143203979999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.143203979999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.787276530000000,  0.212723470000000,  0.712723470000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.962723470000000,  0.537276530000000,  0.462723470000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.537276530000000,  0.537276530000000,  0.537276530000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.462723470000000,  0.962723470000000,  0.537276530000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.287276530000000,  0.287276530000000,  0.287276530000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.712723470000000,  0.212723470000000,  0.287276530000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.712723470000000,  0.787276530000000,  0.212723470000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.037276530000000,  0.962723470000000,  0.462723470000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.869757580000000,  0.789682940000000,  0.374573510000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.374573510000000,  0.869757580000000,  0.789682940000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.789682940000000,  0.625426490000000,  0.630242420000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.630242420000000,  0.210317060000000,  0.874573510000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.125426490000000,  0.869757580000000,  0.210317060000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.289682940000000,  0.874573510000000,  0.369757580000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.460317060000000,  0.880242420000000,  0.124573510000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.460317060000000,  0.119757580000000,  0.375426490000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.539682940000000,  0.380242420000000,  0.375426490000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.875426490000000,  0.960317060000000,  0.619757580000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.380242420000000,  0.624573510000000,  0.960317060000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.619757580000000,  0.124573510000000,  0.539682940000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.039682940000000,  0.119757580000000,  0.624573510000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.210317060000000,  0.125426490000000,  0.869757580000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.210317060000000,  0.874573510000000,  0.630242420000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.625426490000000,  0.630242420000000,  0.789682940000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.374573510000000,  0.130242420000000,  0.710317060000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.369757580000000,  0.710317060000000,  0.625426490000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.630242420000000,  0.789682940000000,  0.625426490000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.624573510000000,  0.960317060000000,  0.380242420000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.380242420000000,  0.375426490000000,  0.539682940000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.375426490000000,  0.539682940000000,  0.380242420000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.119757580000000,  0.375426490000000,  0.460317060000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.624573510000000,  0.039682940000000,  0.119757580000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.287276530000000,  0.712723470000000,  0.212723470000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.462723470000000,  0.037276530000000,  0.962723470000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 35    coordinates: [  0.037276530000000,  0.037276530000000,  0.037276530000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 36    coordinates: [  0.962723470000000,  0.462723470000000,  0.037276530000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 37    coordinates: [  0.787276530000000,  0.787276530000000,  0.787276530000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 38    coordinates: [  0.212723470000000,  0.712723470000000,  0.787276530000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 39    coordinates: [  0.212723470000000,  0.287276530000000,  0.712723470000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 40    coordinates: [  0.537276530000000,  0.462723470000000,  0.962723470000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 41    coordinates: [  0.369757580000000,  0.289682940000000,  0.874573510000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 42    coordinates: [  0.874573510000000,  0.369757580000000,  0.289682940000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 43    coordinates: [  0.289682940000000,  0.125426490000000,  0.130242420000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 44    coordinates: [  0.130242420000000,  0.710317060000000,  0.374573510000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 45    coordinates: [  0.625426490000000,  0.369757580000000,  0.710317060000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.789682940000000,  0.374573510000000,  0.869757580000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 47    coordinates: [  0.960317060000000,  0.380242420000000,  0.624573510000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 48    coordinates: [  0.960317060000000,  0.619757580000000,  0.875426490000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 49    coordinates: [  0.039682940000000,  0.880242420000000,  0.875426490000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 50    coordinates: [  0.375426490000000,  0.460317060000000,  0.119757580000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 51    coordinates: [  0.880242420000000,  0.124573510000000,  0.460317060000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 52    coordinates: [  0.119757580000000,  0.624573510000000,  0.039682940000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 53    coordinates: [  0.539682940000000,  0.619757580000000,  0.124573510000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 54    coordinates: [  0.710317060000000,  0.625426490000000,  0.369757580000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 55    coordinates: [  0.710317060000000,  0.374573510000000,  0.130242420000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 56    coordinates: [  0.125426490000000,  0.130242420000000,  0.289682940000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 57    coordinates: [  0.874573510000000,  0.630242420000000,  0.210317060000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 58    coordinates: [  0.869757580000000,  0.210317060000000,  0.125426490000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 59    coordinates: [  0.130242420000000,  0.289682940000000,  0.125426490000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 60    coordinates: [  0.124573510000000,  0.460317060000000,  0.880242420000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 61    coordinates: [  0.880242420000000,  0.875426490000000,  0.039682940000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 62    coordinates: [  0.875426490000000,  0.039682940000000,  0.880242420000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 63    coordinates: [  0.619757580000000,  0.875426490000000,  0.960317060000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 64    coordinates: [  0.124573510000000,  0.539682940000000,  0.619757580000000 ]    mass: 15.999400    reduced_to: 32  - symbol: P  # 65    coordinates: [  0.205315240000000,  0.794684760000000,  0.294684760000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.544684760000000,  0.955315240000000,  0.044684760000000 ]    mass: 30.973762    reduced_to: 66  - symbol: P  # 67    coordinates: [  0.455315240000000,  0.455315240000000,  0.455315240000000 ]    mass: 30.973762    reduced_to: 67  - symbol: P  # 68    coordinates: [  0.544684760000000,  0.044684760000000,  0.455315240000000 ]    mass: 30.973762    reduced_to: 68  - symbol: P  # 69    coordinates: [  0.705315240000000,  0.705315240000000,  0.705315240000000 ]    mass: 30.973762    reduced_to: 69  - symbol: P  # 70    coordinates: [  0.294684760000000,  0.794684760000000,  0.705315240000000 ]    mass: 30.973762    reduced_to: 70  - symbol: P  # 71    coordinates: [  0.794684760000000,  0.705315240000000,  0.294684760000000 ]    mass: 30.973762    reduced_to: 71  - 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