# Fileset

[phono3py_params.yaml.xz](https://mdr.nims.go.jp/filesets/1da93986-f3de-4fa3-abd8-92bc77d9bb9a/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

[Phono3py input data to calculate lattice thermal conductvities for zincblende-InN](https://mdr.nims.go.jp/datasets/6d38a2fa-4b06-4268-8247-a9aa038fb754)

## Fulltext

phono3py:  version: 2.3.0  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652physical_unit:  atomic_mass: "AMU"space_group:  type: "F-43m"  number: 216  Hall_symbol: "F -4 2 3"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,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -0.000000000000000,     2.494482511897290,     2.494482511897290 ] # a  - [     2.494482511897290,     0.000000000000000,     2.494482511897290 ] # b  - [     2.494482511897290,     2.494482511897290,     0.000000000000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: N  # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 14.006700  reciprocal_lattice: # without 2pi  - [    -0.200442375368550,     0.200442375368550,     0.200442375368550 ] # a*  - [     0.200442375368550,    -0.200442375368550,     0.200442375368550 ] # b*  - [     0.200442375368550,     0.200442375368550,    -0.200442375368550 ] # c*unit_cell:  lattice:  - [     4.988965023794579,    -0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.988965023794579,     0.000000000000000 ] # b  - [    -0.000000000000000,    -0.000000000000000,     4.988965023794579 ] # c  points:  - symbol: In # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: N  # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 5supercell:  lattice:  - [     9.977930047589158,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.977930047589158,     0.000000000000001 ] # b  - [    -0.000000000000000,     0.000000000000000,     9.977930047589158 ] # c  points:  - symbol: In # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 9    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 10    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 14    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 15    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 16    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 17    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 18    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 19    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 20    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: N  # 33    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 35    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 36    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 37    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 38    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 39    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 40    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 41    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 42    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 43    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 44    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 45    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 46    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 47    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 48    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 49    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 50    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 51    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 52    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 53    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 54    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 55    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 56    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 57    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 58    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 59    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 60    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 61    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 62    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 63    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 64    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 33phonon_supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   4 ]phonon_primitive_cell:  lattice:  - [    -0.000000000000000,     2.494482511897290,     2.494482511897290 ] # a  - [     2.494482511897290,     0.000000000000000,     2.494482511897290 ] # b  - [     2.494482511897290,     2.494482511897290,     0.000000000000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: N  # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 14.006700  reciprocal_lattice: # without 2pi  - [    -0.200442375368550,     0.200442375368550,     0.200442375368550 ] # a*  - [     0.200442375368550,    -0.200442375368550,     0.200442375368550 ] # b*  - [     0.200442375368550,     0.200442375368550,    -0.200442375368550 ] # c*phonon_supercell:  lattice:  - [    19.955860095178316,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    19.955860095178316,     0.000000000000002 ] # b  - [    -0.000000000000001,     0.000000000000000,    19.955860095178316 ] # c  points:  - symbol: In # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 7    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 1  - 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[ -0.1214152100000000,  0.2927097000000000, -0.0075247400000000 ]    - [  0.0039787600000000,  0.0028072700000000,  0.0000251000000000 ]    - [ -0.0011635100000000, -0.0096058000000000,  0.0000263700000000 ]    - [  0.0008183600000000, -0.0019768400000000,  0.0000040500000000 ]    - [ -0.0011627600000000,  0.0028074700000000,  0.0000197400000000 ]    - [  0.0008183400000000,  0.0067327400000000, -0.0000073400000000 ]    - [ -0.0027891100000000, -0.0019760300000000, -0.0000074900000000 ]    - [  0.0007990800000000, -0.0019279100000000,  0.0000001200000000 ]    - [ -0.0107690600000000, -0.0171915500000000, -0.0211453400000000 ]    - [  0.0032006400000000, -0.0006502900000000,  0.0014875100000000 ]    - [ -0.0106980400000000, -0.0174077400000000,  0.0215753700000000 ]    - [  0.0031615700000000, -0.0006208200000000, -0.0014760600000000 ]    - [ -0.0011669400000000, -0.0133328400000000,  0.0172147800000000 ]    - [ -0.0001318600000000, -0.0019907400000000, -0.0001343000000000 ]    - [ -0.0013224700000000, -0.0134059300000000, -0.0176456900000000 ]    - 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[  0.3066506700000000,  0.2930554200000000,  0.0182414600000000 ]    - [ -0.0059490000000000, -0.0019773400000000,  0.0000007700000000 ]    - [  0.0056060400000000, -0.0096050400000000, -0.0000719700000000 ]    - [ -0.0059479800000000,  0.0067317900000000,  0.0000077000000000 ]    - [  0.0056043600000000,  0.0028079500000000, -0.0000356800000000 ]    - [ -0.0114502600000000, -0.0019275800000000,  0.0000020300000000 ]    - [  0.0094600500000000, -0.0019760800000000,  0.0000207300000000 ]    - [ -0.0225071900000000, -0.0097328100000000, -0.0076145200000000 ]    - [  0.0149049600000000, -0.0082438900000000, -0.0120779800000000 ]    - [ -0.0225114300000000, -0.0096107500000000,  0.0074956700000000 ]    - [  0.0150159400000000, -0.0082764500000000,  0.0125631700000000 ]    - [ -0.0257850200000000,  0.0069302700000000, -0.0090727600000000 ]    - [  0.0244070700000000, -0.0222390100000000,  0.0262393400000000 ]    - [ -0.0258137900000000,  0.0071459000000000,  0.0092347100000000 ]    - [  0.0244857400000000, -0.0225675700000000, -0.0266869900000000 ]    - 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