# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/950aa9ae-4d92-4d90-ac81-47dfbf14f859/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 In5(BiS4)3 / C2/m (12) / materials id 504646](https://mdr.nims.go.jp/datasets/7381335c-4948-4bb9-9864-1d5c81cbd0a8)

## 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: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    16.432607465000000,    -1.934768795000000,     0.004217390000000 ] # a  - [    16.432607465000000,     1.934768795000000,     0.004217390000000 ] # b  - [    -0.140301830000000,     0.000000000000000,    14.217934570000001 ] # c  points:  - symbol: Bi # 1    coordinates: [  0.868393490000000,  0.868393490000000,  0.517761410000000 ]    mass: 208.980400  - symbol: Bi # 2    coordinates: [  0.131606510000000,  0.131606510000000,  0.482238590000000 ]    mass: 208.980400  - symbol: Bi # 3    coordinates: [  0.681172370000000,  0.681172370000000,  0.230002820000000 ]    mass: 208.980400  - symbol: Bi # 4    coordinates: [  0.318827630000000,  0.318827630000000,  0.769997180000000 ]    mass: 208.980400  - symbol: Bi # 5    coordinates: [  0.446193130000000,  0.446193130000000,  0.284756400000000 ]    mass: 208.980400  - symbol: Bi # 6    coordinates: [  0.553806870000000,  0.553806870000000,  0.715243600000000 ]    mass: 208.980400  - symbol: In # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: In # 9    coordinates: [  0.783009880000000,  0.783009880000000,  0.084539780000000 ]    mass: 114.818000  - symbol: In # 10    coordinates: [  0.216990120000000,  0.216990120000000,  0.915460220000000 ]    mass: 114.818000  - symbol: In # 11    coordinates: [  0.598177870000000,  0.598177870000000,  0.995414610000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.401822130000000,  0.401822130000000,  0.004585390000000 ]    mass: 114.818000  - symbol: In # 13    coordinates: [  0.325371200000000,  0.325371200000000,  0.285432020000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.674628800000000,  0.674628800000000,  0.714567980000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.071159300000000,  0.071159300000000,  0.222712840000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.928840700000000,  0.928840700000000,  0.777287160000000 ]    mass: 114.818000  - symbol: S  # 17    coordinates: [  0.005446560000000,  0.005446560000000,  0.317275210000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.994553440000000,  0.994553440000000,  0.682724790000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.937416740000000,  0.937416740000000,  0.102171530000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.062583260000000,  0.062583260000000,  0.897828470000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.884916140000000,  0.884916140000000,  0.318280670000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.115083860000000,  0.115083860000000,  0.681719330000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.775772620000000,  0.775772620000000,  0.264879880000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.224227380000000,  0.224227380000000,  0.735120120000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.604430410000000,  0.604430410000000,  0.314271290000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.395569590000000,  0.395569590000000,  0.685728710000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.534099010000000,  0.534099010000000,  0.105940400000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.465900990000000,  0.465900990000000,  0.894059600000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.446181460000000,  0.446181460000000,  0.472784250000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.553818540000000,  0.553818540000000,  0.527215750000000 ]    mass: 32.065000  - symbol: S  # 31    coordinates: [  0.337580280000000,  0.337580280000000,  0.104724430000000 ]    mass: 32.065000  - symbol: S  # 32    coordinates: [  0.662419720000000,  0.662419720000000,  0.895275570000000 ]    mass: 32.065000  - symbol: S  # 33    coordinates: [  0.194496250000000,  0.194496250000000,  0.352616190000000 ]    mass: 32.065000  - symbol: S  # 34    coordinates: [  0.805503750000000,  0.805503750000000,  0.647383810000000 ]    mass: 32.065000  - symbol: S  # 35    coordinates: [  0.126845530000000,  0.126845530000000,  0.103527440000000 ]    mass: 32.065000  - symbol: S  # 36    coordinates: [  0.873154470000000,  0.873154470000000,  0.896472560000000 ]    mass: 32.065000  - symbol: S  # 37    coordinates: [  0.227211620000000,  0.227211620000000,  0.091378470000000 ]    mass: 32.065000  - symbol: S  # 38    coordinates: [  0.772788380000000,  0.772788380000000,  0.908621530000000 ]    mass: 32.065000  - symbol: S  # 39    coordinates: [  0.318647880000000,  0.318647880000000,  0.463787640000000 ]    mass: 32.065000  - symbol: S  # 40    coordinates: [  0.681352120000000,  0.681352120000000,  0.536212360000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.030427230418267,    -0.258428811386737,     0.000300254308282 ] # a*  - [     0.030427230418267,     0.258428811386737,     0.000300254308282 ] # b*  - [    -0.000018050933722,     0.000000000000000,     0.070333525766181 ] # c*unit_cell:  lattice:  - [    32.865214930000000,     0.000000000000000,     0.008434780000000 ] # a  - [     0.000000000000000,     3.869537590000000,     0.000000000000000 ] # b  - [    -0.140301830000000,     0.000000000000000,    14.217934570000001 ] # c  points:  - symbol: Bi # 1    coordinates: [  0.368393490000000,  0.500000000000000,  0.517761410000000 ]    mass: 208.980400    reduced_to: 1  - symbol: Bi # 2    coordinates: [  0.131606510000000,  0.000000000000000,  0.482238590000000 ]    mass: 208.980400    reduced_to: 2  - symbol: Bi # 3    coordinates: [  0.181172370000000,  0.500000000000000,  0.230002820000000 ]    mass: 208.980400    reduced_to: 3  - symbol: Bi # 4    coordinates: [  0.318827630000000,  0.000000000000000,  0.769997180000000 ]    mass: 208.980400    reduced_to: 4  - symbol: Bi # 5    coordinates: [  0.446193130000000,  0.000000000000000,  0.284756400000000 ]    mass: 208.980400    reduced_to: 5  - symbol: Bi # 6    coordinates: [  0.053806870000000,  0.500000000000000,  0.715243600000000 ]    mass: 208.980400    reduced_to: 6  - symbol: Bi # 7    coordinates: [  0.868393490000000,  0.000000000000000,  0.517761410000000 ]    mass: 208.980400    reduced_to: 1  - symbol: Bi # 8    coordinates: [  0.631606510000000,  0.500000000000000,  0.482238590000000 ]    mass: 208.980400    reduced_to: 2  - symbol: Bi # 9    coordinates: [  0.681172370000000,  0.000000000000000,  0.230002820000000 ]    mass: 208.980400    reduced_to: 3  - symbol: Bi # 10    coordinates: [  0.818827630000000,  0.500000000000000,  0.769997180000000 ]    mass: 208.980400    reduced_to: 4  - symbol: Bi # 11    coordinates: [  0.946193130000000,  0.500000000000000,  0.284756400000000 ]    mass: 208.980400    reduced_to: 5  - symbol: Bi # 12    coordinates: [  0.553806870000000,  0.000000000000000,  0.715243600000000 ]    mass: 208.980400    reduced_to: 6  - symbol: In # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.283009880000000,  0.500000000000000,  0.084539780000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.216990120000000,  0.000000000000000,  0.915460220000000 ]    mass: 114.818000    reduced_to: 16  - symbol: In # 17    coordinates: [  0.098177870000000,  0.500000000000000,  0.995414610000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.401822130000000,  0.000000000000000,  0.004585390000000 ]    mass: 114.818000    reduced_to: 18  - symbol: In # 19    coordinates: [  0.325371200000000,  0.000000000000000,  0.285432020000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 20    coordinates: [  0.174628800000000,  0.500000000000000,  0.714567980000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 21    coordinates: [  0.071159300000000,  0.000000000000000,  0.222712840000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 22    coordinates: [  0.428840700000000,  0.500000000000000,  0.777287160000000 ]    mass: 114.818000    reduced_to: 22  - symbol: In # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 25    coordinates: [  0.783009880000000,  0.000000000000000,  0.084539780000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 26    coordinates: [  0.716990120000000,  0.500000000000000,  0.915460220000000 ]    mass: 114.818000    reduced_to: 16  - symbol: In # 27    coordinates: [  0.598177870000000,  0.000000000000000,  0.995414610000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 28    coordinates: [  0.901822130000000,  0.500000000000000,  0.004585390000000 ]    mass: 114.818000    reduced_to: 18  - symbol: In # 29    coordinates: [  0.825371200000000,  0.500000000000000,  0.285432020000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 30    coordinates: [  0.674628800000000,  0.000000000000000,  0.714567980000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 31    coordinates: [  0.571159300000000,  0.500000000000000,  0.222712840000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 32    coordinates: [  0.928840700000000,  0.000000000000000,  0.777287160000000 ]    mass: 114.818000    reduced_to: 22  - symbol: S  # 33    coordinates: [  0.005446560000000,  0.000000000000000,  0.317275210000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.494553440000000,  0.500000000000000,  0.682724790000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 35    coordinates: [  0.437416740000000,  0.500000000000000,  0.102171530000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 36    coordinates: [  0.062583260000000,  0.000000000000000,  0.897828470000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.384916140000000,  0.500000000000000,  0.318280670000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.115083860000000,  0.000000000000000,  0.681719330000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.275772620000000,  0.500000000000000,  0.264879880000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.224227380000000,  0.000000000000000,  0.735120120000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.104430410000000,  0.500000000000000,  0.314271290000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.395569590000000,  0.000000000000000,  0.685728710000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.034099010000000,  0.500000000000000,  0.105940400000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.465900990000000,  0.000000000000000,  0.894059600000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.446181460000000,  0.000000000000000,  0.472784250000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.053818540000000,  0.500000000000000,  0.527215750000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.337580280000000,  0.000000000000000,  0.104724430000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.162419720000000,  0.500000000000000,  0.895275570000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.194496250000000,  0.000000000000000,  0.352616190000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.305503750000000,  0.500000000000000,  0.647383810000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 51    coordinates: [  0.126845530000000,  0.000000000000000,  0.103527440000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.373154470000000,  0.500000000000000,  0.896472560000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.227211620000000,  0.000000000000000,  0.091378470000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.272788380000000,  0.500000000000000,  0.908621530000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 55    coordinates: [  0.318647880000000,  0.000000000000000,  0.463787640000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.181352120000000,  0.500000000000000,  0.536212360000000 ]    mass: 32.065000    reduced_to: 56  - symbol: S  # 57    coordinates: [  0.505446560000000,  0.500000000000000,  0.317275210000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 58    coordinates: [  0.994553440000000,  0.000000000000000,  0.682724790000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 59    coordinates: [  0.937416740000000,  0.000000000000000,  0.102171530000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 60    coordinates: [  0.562583260000000,  0.500000000000000,  0.897828470000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 61    coordinates: [  0.884916140000000,  0.000000000000000,  0.318280670000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 62    coordinates: [  0.615083860000000,  0.500000000000000,  0.681719330000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 63    coordinates: [  0.775772620000000,  0.000000000000000,  0.264879880000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 64    coordinates: [  0.724227380000000,  0.500000000000000,  0.735120120000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 65    coordinates: [  0.604430410000000,  0.000000000000000,  0.314271290000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 66    coordinates: [  0.895569590000000,  0.500000000000000,  0.685728710000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 67    coordinates: [  0.534099010000000,  0.000000000000000,  0.105940400000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 68    coordinates: [  0.965900990000000,  0.500000000000000,  0.894059600000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 69    coordinates: [  0.946181460000000,  0.500000000000000,  0.472784250000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 70    coordinates: [  0.553818540000000,  0.000000000000000,  0.527215750000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 71    coordinates: [  0.837580280000000,  0.500000000000000,  0.104724430000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 72    coordinates: [  0.662419720000000,  0.000000000000000,  0.895275570000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 73    coordinates: [  0.694496250000000,  0.500000000000000,  0.352616190000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 74    coordinates: [  0.805503750000000,  0.000000000000000,  0.647383810000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 75    coordinates: [  0.626845530000000,  0.500000000000000,  0.103527440000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 76    coordinates: [  0.873154470000000,  0.000000000000000,  0.896472560000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 77    coordinates: [  0.727211620000000,  0.500000000000000,  0.091378470000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 78    coordinates: [  0.772788380000000,  0.000000000000000,  0.908621530000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 79    coordinates: [  0.818647880000000,  0.500000000000000,  0.463787640000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 80    coordinates: [  0.681352120000000,  0.000000000000000,  0.536212360000000 ]    mass: 32.065000    reduced_to: 56supercell:  lattice:  - [    32.865214930000000,     0.000000000000000,     0.008434780000000 ] # a  - [     0.000000000000000,     3.869537590000000,     0.000000000000000 ] # b  - [    -0.140301830000000,     0.000000000000000,    14.217934570000001 ] # c  points:  - symbol: Bi # 1    coordinates: [  0.368393490000000,  0.500000000000000,  0.517761410000000 ]    mass: 208.980400    reduced_to: 1  - symbol: Bi # 2    coordinates: [  0.131606510000000,  0.000000000000000,  0.482238590000000 ]    mass: 208.980400    reduced_to: 2  - symbol: Bi # 3    coordinates: [  0.181172370000000,  0.500000000000000,  0.230002820000000 ]    mass: 208.980400    reduced_to: 3  - symbol: Bi # 4    coordinates: [  0.318827630000000,  0.000000000000000,  0.769997180000000 ]    mass: 208.980400    reduced_to: 4  - symbol: Bi # 5    coordinates: [  0.446193130000000,  0.000000000000000,  0.284756400000000 ]    mass: 208.980400    reduced_to: 5  - symbol: Bi # 6    coordinates: [  0.053806870000000,  0.500000000000000,  0.715243600000000 ]    mass: 208.980400    reduced_to: 6  - symbol: Bi # 7    coordinates: [  0.868393490000000,  0.000000000000000,  0.517761410000000 ]    mass: 208.980400    reduced_to: 1  - symbol: Bi # 8    coordinates: [  0.631606510000000,  0.500000000000000,  0.482238590000000 ]    mass: 208.980400    reduced_to: 2  - symbol: Bi # 9    coordinates: [  0.681172370000000,  0.000000000000000,  0.230002820000000 ]    mass: 208.980400    reduced_to: 3  - symbol: Bi # 10    coordinates: [  0.818827630000000,  0.500000000000000,  0.769997180000000 ]    mass: 208.980400    reduced_to: 4  - symbol: Bi # 11    coordinates: [  0.946193130000000,  0.500000000000000,  0.284756400000000 ]    mass: 208.980400    reduced_to: 5  - symbol: Bi # 12    coordinates: [  0.553806870000000,  0.000000000000000,  0.715243600000000 ]    mass: 208.980400    reduced_to: 6  - symbol: In # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.283009880000000,  0.500000000000000,  0.084539780000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.216990120000000,  0.000000000000000,  0.915460220000000 ]    mass: 114.818000    reduced_to: 16  - 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