# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/919ed638-edcc-4178-af1b-dc1f5f9ee50b/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 In4Br7 / C2/c (15) / materials id 680760](https://mdr.nims.go.jp/datasets/22a8009f-de63-4136-a6fa-70dbeb322c84)

## 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/c"  number: 15  Hall_symbol: "-C 2yc"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:  - [     6.559461205000000,    -3.695388970000000,     0.025633630000000 ] # a  - [     6.559461205000000,     3.695388970000000,     0.025633630000000 ] # b  - [    -4.532615310000000,     0.000000000000000,    30.507593360000001 ] # c  points:  - symbol: In # 1    coordinates: [  0.173035710000000,  0.679826210000000,  0.524881790000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.449529690000000,  0.968432510000000,  0.373351700000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.031567490000000,  0.550470310000000,  0.126648300000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.679826210000000,  0.173035710000000,  0.024881790000000 ]    mass: 114.818000  - symbol: In # 5    coordinates: [  0.368464490000000,  0.915767110000000,  0.184425560000000 ]    mass: 114.818000  - symbol: In # 6    coordinates: [  0.186174010000000,  0.813825990000000,  0.750000000000000 ]    mass: 114.818000  - symbol: In # 7    coordinates: [  0.550470310000000,  0.031567490000000,  0.626648300000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.826964290000000,  0.320173790000000,  0.475118210000000 ]    mass: 114.818000  - symbol: In # 9    coordinates: [  0.631535510000000,  0.084232890000000,  0.815574440000000 ]    mass: 114.818000  - symbol: In # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 11    coordinates: [  0.915767110000000,  0.368464490000000,  0.684425560000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.968432510000000,  0.449529690000000,  0.873351700000000 ]    mass: 114.818000  - symbol: In # 13    coordinates: [  0.320173790000000,  0.826964290000000,  0.975118210000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.813825990000000,  0.186174010000000,  0.250000000000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.084232890000000,  0.631535510000000,  0.315574440000000 ]    mass: 114.818000  - symbol: Br # 17    coordinates: [  0.315072710000000,  0.994157330000000,  0.265694410000000 ]    mass: 79.904000  - symbol: Br # 18    coordinates: [  0.512028060000000,  0.852986100000000,  0.836957950000000 ]    mass: 79.904000  - symbol: Br # 19    coordinates: [  0.994157330000000,  0.315072710000000,  0.765694410000000 ]    mass: 79.904000  - symbol: Br # 20    coordinates: [  0.751153090000000,  0.680693790000000,  0.550345260000000 ]    mass: 79.904000  - symbol: Br # 21    coordinates: [  0.020259720000000,  0.007758660000000,  0.649914370000000 ]    mass: 79.904000  - symbol: Br # 22    coordinates: [  0.147013900000000,  0.487971940000000,  0.663042050000000 ]    mass: 79.904000  - symbol: Br # 23    coordinates: [  0.540847740000000,  0.619888900000000,  0.664088910000000 ]    mass: 79.904000  - symbol: Br # 24    coordinates: [  0.005842670000000,  0.684927290000000,  0.234305590000000 ]    mass: 79.904000  - symbol: Br # 25    coordinates: [  0.120929170000000,  0.190147350000000,  0.051384900000000 ]    mass: 79.904000  - symbol: Br # 26    coordinates: [  0.618837810000000,  0.241870690000000,  0.550913810000000 ]    mass: 79.904000  - symbol: Br # 27    coordinates: [  0.241870690000000,  0.618837810000000,  0.050913810000000 ]    mass: 79.904000  - symbol: Br # 28    coordinates: [  0.619888900000000,  0.540847740000000,  0.164088910000000 ]    mass: 79.904000  - symbol: Br # 29    coordinates: [  0.487971940000000,  0.147013900000000,  0.163042050000000 ]    mass: 79.904000  - symbol: Br # 30    coordinates: [  0.992241340000000,  0.979740280000000,  0.850085630000000 ]    mass: 79.904000  - symbol: Br # 31    coordinates: [  0.007758660000000,  0.020259720000000,  0.149914370000000 ]    mass: 79.904000  - symbol: Br # 32    coordinates: [  0.809852650000000,  0.879070830000000,  0.448615100000000 ]    mass: 79.904000  - symbol: Br # 33    coordinates: [  0.852986100000000,  0.512028060000000,  0.336957950000000 ]    mass: 79.904000  - symbol: Br # 34    coordinates: [  0.758129310000000,  0.381162190000000,  0.949086190000000 ]    mass: 79.904000  - symbol: Br # 35    coordinates: [  0.879070830000000,  0.809852650000000,  0.948615100000000 ]    mass: 79.904000  - symbol: Br # 36    coordinates: [  0.459152260000000,  0.380111100000000,  0.335911090000000 ]    mass: 79.904000  - symbol: Br # 37    coordinates: [  0.680693790000000,  0.751153090000000,  0.050345260000000 ]    mass: 79.904000  - symbol: Br # 38    coordinates: [  0.979740280000000,  0.992241340000000,  0.350085630000000 ]    mass: 79.904000  - symbol: Br # 39    coordinates: [  0.381162190000000,  0.758129310000000,  0.449086190000000 ]    mass: 79.904000  - symbol: Br # 40    coordinates: [  0.319306210000000,  0.248846910000000,  0.949654740000000 ]    mass: 79.904000  - symbol: Br # 41    coordinates: [  0.380111100000000,  0.459152260000000,  0.835911090000000 ]    mass: 79.904000  - symbol: Br # 42    coordinates: [  0.248846910000000,  0.319306210000000,  0.449654740000000 ]    mass: 79.904000  - symbol: Br # 43    coordinates: [  0.684927290000000,  0.005842670000000,  0.734305590000000 ]    mass: 79.904000  - symbol: Br # 44    coordinates: [  0.190147350000000,  0.120929170000000,  0.551384900000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.076181541279745,    -0.135303753964498,     0.011318546706366 ] # a*  - [     0.076181541279745,     0.135303753964498,     0.011318546706366 ] # b*  - [    -0.000128021205668,     0.000000000000000,     0.032759704029410 ] # c*unit_cell:  lattice:  - [    13.118922410000000,     0.000000000000000,     0.051267260000000 ] # a  - [     0.000000000000000,     7.390777940000000,     0.000000000000000 ] # b  - [    -4.532615310000000,     0.000000000000000,    30.507593360000001 ] # c  points:  - symbol: In # 1    coordinates: [  0.926430960000000,  0.753395250000000,  0.524881790000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.708981100000000,  0.259451410000000,  0.373351700000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.791018900000000,  0.759451410000000,  0.126648300000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.926430960000000,  0.246604750000000,  0.024881790000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.642115800000000,  0.273651310000000,  0.184425560000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.000000000000000,  0.813825990000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.291018900000000,  0.740548590000000,  0.626648300000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.073569040000000,  0.246604750000000,  0.475118210000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 9    coordinates: [  0.357884200000000,  0.726348690000000,  0.815574440000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 11    coordinates: [  0.142115800000000,  0.226348690000000,  0.684425560000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 12    coordinates: [  0.208981100000000,  0.240548590000000,  0.873351700000000 ]    mass: 114.818000    reduced_to: 12  - symbol: In # 13    coordinates: [  0.073569040000000,  0.753395250000000,  0.975118210000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.000000000000000,  0.186174010000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.857884200000000,  0.773651310000000,  0.315574440000000 ]    mass: 114.818000    reduced_to: 16  - symbol: In # 17    coordinates: [  0.426430960000000,  0.253395250000000,  0.524881790000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 18    coordinates: [  0.208981100000000,  0.759451410000000,  0.373351700000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 19    coordinates: [  0.291018900000000,  0.259451410000000,  0.126648300000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 20    coordinates: [  0.426430960000000,  0.746604750000000,  0.024881790000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 21    coordinates: [  0.142115800000000,  0.773651310000000,  0.184425560000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 22    coordinates: [  0.500000000000000,  0.313825990000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 23    coordinates: [  0.791018900000000,  0.240548590000000,  0.626648300000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 24    coordinates: [  0.573569040000000,  0.746604750000000,  0.475118210000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 25    coordinates: [  0.857884200000000,  0.226348690000000,  0.815574440000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 27    coordinates: [  0.642115800000000,  0.726348690000000,  0.684425560000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 28    coordinates: [  0.708981100000000,  0.740548590000000,  0.873351700000000 ]    mass: 114.818000    reduced_to: 12  - symbol: In # 29    coordinates: [  0.573569040000000,  0.253395250000000,  0.975118210000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 30    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 31    coordinates: [  0.500000000000000,  0.686174010000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 32    coordinates: [  0.357884200000000,  0.273651310000000,  0.315574440000000 ]    mass: 114.818000    reduced_to: 16  - symbol: Br # 33    coordinates: [  0.654615020000000,  0.339542310000000,  0.265694410000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 34    coordinates: [  0.182507080000000,  0.670479020000000,  0.836957950000000 ]    mass: 79.904000    reduced_to: 34  - symbol: Br # 35    coordinates: [  0.154615020000000,  0.160457690000000,  0.765694410000000 ]    mass: 79.904000    reduced_to: 35  - symbol: Br # 36    coordinates: [  0.215923440000000,  0.464770350000000,  0.550345260000000 ]    mass: 79.904000    reduced_to: 36  - symbol: Br # 37    coordinates: [  0.014009190000000,  0.993749470000000,  0.649914370000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 38    coordinates: [  0.317492920000000,  0.170479020000000,  0.663042050000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 39    coordinates: [  0.080368320000000,  0.539520580000000,  0.664088910000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 40    coordinates: [  0.845384980000000,  0.839542310000000,  0.234305590000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 41    coordinates: [  0.655538260000000,  0.534609090000000,  0.051384900000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.930354250000000,  0.311516440000000,  0.550913810000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 43    coordinates: [  0.930354250000000,  0.688483560000000,  0.050913810000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 44    coordinates: [  0.080368320000000,  0.460479420000000,  0.164088910000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 45    coordinates: [  0.817492920000000,  0.329520980000000,  0.163042050000000 ]    mass: 79.904000    reduced_to: 45  - symbol: Br # 46    coordinates: [  0.985990810000000,  0.993749470000000,  0.850085630000000 ]    mass: 79.904000    reduced_to: 46  - symbol: Br # 47    coordinates: [  0.014009190000000,  0.006250530000000,  0.149914370000000 ]    mass: 79.904000    reduced_to: 47  - symbol: Br # 48    coordinates: [  0.844461740000000,  0.034609090000000,  0.448615100000000 ]    mass: 79.904000    reduced_to: 48  - symbol: Br # 49    coordinates: [  0.682507080000000,  0.829520980000000,  0.336957950000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 50    coordinates: [  0.069645750000000,  0.311516440000000,  0.949086190000000 ]    mass: 79.904000    reduced_to: 50  - symbol: Br # 51    coordinates: [  0.344461740000000,  0.465390910000000,  0.948615100000000 ]    mass: 79.904000    reduced_to: 51  - symbol: Br # 52    coordinates: [  0.919631680000000,  0.460479420000000,  0.335911090000000 ]    mass: 79.904000    reduced_to: 52  - symbol: Br # 53    coordinates: [  0.715923440000000,  0.035229650000000,  0.050345260000000 ]    mass: 79.904000    reduced_to: 53  - symbol: Br # 54    coordinates: [  0.985990810000000,  0.006250530000000,  0.350085630000000 ]    mass: 79.904000    reduced_to: 54  - symbol: Br # 55    coordinates: [  0.069645750000000,  0.688483560000000,  0.449086190000000 ]    mass: 79.904000    reduced_to: 55  - symbol: Br # 56    coordinates: [  0.284076560000000,  0.964770350000000,  0.949654740000000 ]    mass: 79.904000    reduced_to: 56  - symbol: Br # 57    coordinates: [  0.919631680000000,  0.539520580000000,  0.835911090000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 58    coordinates: [  0.784076560000000,  0.535229650000000,  0.449654740000000 ]    mass: 79.904000    reduced_to: 58  - symbol: Br # 59    coordinates: [  0.345384980000000,  0.660457690000000,  0.734305590000000 ]    mass: 79.904000    reduced_to: 59  - symbol: Br # 60    coordinates: [  0.155538260000000,  0.965390910000000,  0.551384900000000 ]    mass: 79.904000    reduced_to: 60  - symbol: Br # 61    coordinates: [  0.154615020000000,  0.839542310000000,  0.265694410000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 62    coordinates: [  0.682507080000000,  0.170479020000000,  0.836957950000000 ]    mass: 79.904000    reduced_to: 34  - symbol: Br # 63    coordinates: [  0.654615020000000,  0.660457690000000,  0.765694410000000 ]    mass: 79.904000    reduced_to: 35  - symbol: Br # 64    coordinates: [  0.715923440000000,  0.964770350000000,  0.550345260000000 ]    mass: 79.904000    reduced_to: 36  - symbol: Br # 65    coordinates: [  0.514009190000000,  0.493749470000000,  0.649914370000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 66    coordinates: [  0.817492920000000,  0.670479020000000,  0.663042050000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 67    coordinates: [  0.580368320000000,  0.039520580000000,  0.664088910000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 68    coordinates: [  0.345384980000000,  0.339542310000000,  0.234305590000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 69    coordinates: [  0.155538260000000,  0.034609090000000,  0.051384900000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 70    coordinates: [  0.430354250000000,  0.811516440000000,  0.550913810000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 71    coordinates: [  0.430354250000000,  0.188483560000000,  0.050913810000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 72    coordinates: [  0.580368320000000,  0.960479420000000,  0.164088910000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 73    coordinates: [  0.317492920000000,  0.829520980000000,  0.163042050000000 ]    mass: 79.904000    reduced_to: 45  - symbol: Br # 74    coordinates: [  0.485990810000000,  0.493749470000000,  0.850085630000000 ]    mass: 79.904000    reduced_to: 46  - symbol: Br # 75    coordinates: [  0.514009190000000,  0.506250530000000,  0.149914370000000 ]    mass: 79.904000    reduced_to: 47  - symbol: Br # 76    coordinates: [  0.344461740000000,  0.534609090000000,  0.448615100000000 ]    mass: 79.904000    reduced_to: 48  - symbol: Br # 77    coordinates: [  0.182507080000000,  0.329520980000000,  0.336957950000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 78    coordinates: [  0.569645750000000,  0.811516440000000,  0.949086190000000 ]    mass: 79.904000    reduced_to: 50  - symbol: Br # 79    coordinates: [  0.844461740000000,  0.965390910000000,  0.948615100000000 ]    mass: 79.904000    reduced_to: 51  - symbol: Br # 80    coordinates: [  0.419631680000000,  0.960479420000000,  0.335911090000000 ]    mass: 79.904000    reduced_to: 52  - symbol: Br # 81    coordinates: [  0.215923440000000,  0.535229650000000,  0.050345260000000 ]    mass: 79.904000    reduced_to: 53  - symbol: Br # 82    coordinates: [  0.485990810000000,  0.506250530000000,  0.350085630000000 ]    mass: 79.904000    reduced_to: 54  - symbol: Br # 83    coordinates: [  0.569645750000000,  0.188483560000000,  0.449086190000000 ]    mass: 79.904000    reduced_to: 55  - symbol: Br # 84    coordinates: [  0.784076560000000,  0.464770350000000,  0.949654740000000 ]    mass: 79.904000    reduced_to: 56  - symbol: Br # 85    coordinates: [  0.419631680000000,  0.039520580000000,  0.835911090000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 86    coordinates: [  0.284076560000000,  0.035229650000000,  0.449654740000000 ]    mass: 79.904000    reduced_to: 58  - symbol: Br # 87    coordinates: [  0.845384980000000,  0.160457690000000,  0.734305590000000 ]    mass: 79.904000    reduced_to: 59  - 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