# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/278db6e5-b655-4b7b-9b96-0ad50e5ebae7/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 Ho2Sb2O7 / P3_121 (152) / materials id 780448](https://mdr.nims.go.jp/datasets/b7796d7d-ee0a-45bc-b0d4-e0bf15baee31)

## 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: "P3_121"  number: 152  Hall_symbol: "P 31 2\""supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     7.427946240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.713973110000000,     6.432790140000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.279084180000002 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.172500630000000,  0.172500630000000,  0.000000000000000 ]    mass: 164.930320  - symbol: Ho # 2    coordinates: [  0.163964450000000,  0.163964450000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 3    coordinates: [  0.498106810000000,  0.316773120000000,  0.654849560000000 ]    mass: 164.930320  - symbol: Ho # 4    coordinates: [  0.000000000000000,  0.827499370000000,  0.666666670000000 ]    mass: 164.930320  - symbol: Ho # 5    coordinates: [  0.683226880000000,  0.181333690000000,  0.988182890000000 ]    mass: 164.930320  - symbol: Ho # 6    coordinates: [  0.000000000000000,  0.836035550000000,  0.166666670000000 ]    mass: 164.930320  - symbol: Ho # 7    coordinates: [  0.818666310000000,  0.501893190000000,  0.321516230000000 ]    mass: 164.930320  - symbol: Ho # 8    coordinates: [  0.181333690000000,  0.683226880000000,  0.011817110000000 ]    mass: 164.930320  - symbol: Ho # 9    coordinates: [  0.501893190000000,  0.818666310000000,  0.678483770000000 ]    mass: 164.930320  - symbol: Ho # 10    coordinates: [  0.316773120000000,  0.498106810000000,  0.345150440000000 ]    mass: 164.930320  - symbol: Ho # 11    coordinates: [  0.836035550000000,  0.000000000000000,  0.833333330000000 ]    mass: 164.930320  - symbol: Ho # 12    coordinates: [  0.827499370000000,  0.000000000000000,  0.333333330000000 ]    mass: 164.930320  - symbol: Sb # 13    coordinates: [  0.672641680000000,  0.672641680000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 14    coordinates: [  0.696422050000000,  0.696422050000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 15    coordinates: [  0.498412330000000,  0.332851130000000,  0.165640050000000 ]    mass: 121.760000  - symbol: Sb # 16    coordinates: [  0.667148870000000,  0.165561220000000,  0.498973380000000 ]    mass: 121.760000  - symbol: Sb # 17    coordinates: [  0.834438780000000,  0.501587670000000,  0.832306720000000 ]    mass: 121.760000  - symbol: Sb # 18    coordinates: [  0.303577950000000,  0.000000000000000,  0.333333330000000 ]    mass: 121.760000  - symbol: Sb # 19    coordinates: [  0.000000000000000,  0.327358320000000,  0.166666670000000 ]    mass: 121.760000  - symbol: Sb # 20    coordinates: [  0.327358320000000,  0.000000000000000,  0.833333330000000 ]    mass: 121.760000  - symbol: Sb # 21    coordinates: [  0.000000000000000,  0.303577950000000,  0.666666670000000 ]    mass: 121.760000  - symbol: Sb # 22    coordinates: [  0.165561220000000,  0.667148870000000,  0.501026620000000 ]    mass: 121.760000  - symbol: Sb # 23    coordinates: [  0.501587670000000,  0.834438780000000,  0.167693280000000 ]    mass: 121.760000  - symbol: Sb # 24    coordinates: [  0.332851130000000,  0.498412330000000,  0.834359950000000 ]    mass: 121.760000  - symbol: O  # 25    coordinates: [  0.164091120000000,  0.147998440000000,  0.381984580000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.191082120000000,  0.197609720000000,  0.862853110000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.449614940000000,  0.343633300000000,  0.273200830000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.617794850000000,  0.567737760000000,  0.860659320000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.335103720000000,  0.006691300000000,  0.710272240000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.538712620000000,  0.307288490000000,  0.059967390000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.671587580000000,  0.664896280000000,  0.376938900000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.518111950000000,  0.317574240000000,  0.527726110000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.432262240000000,  0.050057090000000,  0.193992650000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.692711510000000,  0.231424130000000,  0.393300730000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.682425760000000,  0.200537720000000,  0.861059440000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.894018360000000,  0.550385060000000,  0.939867490000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.983907310000000,  0.835908880000000,  0.048651250000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.799462280000000,  0.481888050000000,  0.194392770000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.006527600000000,  0.808917880000000,  0.529519780000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.016092690000000,  0.852001560000000,  0.284682080000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.768575870000000,  0.461287380000000,  0.726634060000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.993472400000000,  0.802390280000000,  0.803813560000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.656366700000000,  0.105981640000000,  0.606534160000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.949942910000000,  0.382205150000000,  0.527325980000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.802390280000000,  0.993472400000000,  0.196186440000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.993308700000000,  0.328412420000000,  0.043605570000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.105981640000000,  0.656366700000000,  0.393465840000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.050057090000000,  0.432262240000000,  0.806007350000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.328412420000000,  0.993308700000000,  0.956394430000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.852001560000000,  0.016092690000000,  0.715317920000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.231424130000000,  0.692711510000000,  0.606699270000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.006691300000000,  0.335103720000000,  0.289727760000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.200537720000000,  0.682425760000000,  0.138940560000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.382205150000000,  0.949942910000000,  0.472674020000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.461287380000000,  0.768575870000000,  0.273365940000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.481888050000000,  0.799462280000000,  0.805607230000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.343633300000000,  0.449614940000000,  0.726799170000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.147998440000000,  0.164091120000000,  0.618015420000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.317574240000000,  0.518111950000000,  0.472273890000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.197609720000000,  0.191082120000000,  0.137146890000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.307288490000000,  0.538712620000000,  0.940032610000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.550385060000000,  0.894018360000000,  0.060132510000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.567737760000000,  0.617794850000000,  0.139340680000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.808917880000000,  0.006527600000000,  0.470480220000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.664896280000000,  0.671587580000000,  0.623061100000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.835908880000000,  0.983907310000000,  0.951348750000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.134626714799702,     0.077726769842010,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.155453540102584,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.054707335999587 ] # c*unit_cell:  lattice:  - [     7.427946240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.713973110000000,     6.432790140000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.279084180000002 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.172500630000000,  0.172500630000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.163964450000000,  0.163964450000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 3    coordinates: [  0.498106810000000,  0.316773120000000,  0.654849560000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.000000000000000,  0.827499370000000,  0.666666670000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 5    coordinates: [  0.683226880000000,  0.181333690000000,  0.988182890000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.000000000000000,  0.836035550000000,  0.166666670000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.818666310000000,  0.501893190000000,  0.321516230000000 ]    mass: 164.930320    reduced_to: 7  - symbol: Ho # 8    coordinates: [  0.181333690000000,  0.683226880000000,  0.011817110000000 ]    mass: 164.930320    reduced_to: 8  - symbol: Ho # 9    coordinates: [  0.501893190000000,  0.818666310000000,  0.678483770000000 ]    mass: 164.930320    reduced_to: 9  - symbol: Ho # 10    coordinates: [  0.316773120000000,  0.498106810000000,  0.345150440000000 ]    mass: 164.930320    reduced_to: 10  - symbol: Ho # 11    coordinates: [  0.836035550000000,  0.000000000000000,  0.833333330000000 ]    mass: 164.930320    reduced_to: 11  - symbol: Ho # 12    coordinates: [  0.827499370000000,  0.000000000000000,  0.333333330000000 ]    mass: 164.930320    reduced_to: 12  - symbol: Sb # 13    coordinates: [  0.672641680000000,  0.672641680000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.696422050000000,  0.696422050000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.498412330000000,  0.332851130000000,  0.165640050000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.667148870000000,  0.165561220000000,  0.498973380000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.834438780000000,  0.501587670000000,  0.832306720000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.303577950000000,  0.000000000000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 19    coordinates: [  0.000000000000000,  0.327358320000000,  0.166666670000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.327358320000000,  0.000000000000000,  0.833333330000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 21    coordinates: [  0.000000000000000,  0.303577950000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 22    coordinates: [  0.165561220000000,  0.667148870000000,  0.501026620000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.501587670000000,  0.834438780000000,  0.167693280000000 ]    mass: 121.760000    reduced_to: 23  - symbol: Sb # 24    coordinates: [  0.332851130000000,  0.498412330000000,  0.834359950000000 ]    mass: 121.760000    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.164091120000000,  0.147998440000000,  0.381984580000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.191082120000000,  0.197609720000000,  0.862853110000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.449614940000000,  0.343633300000000,  0.273200830000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.617794850000000,  0.567737760000000,  0.860659320000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.335103720000000,  0.006691300000000,  0.710272240000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.538712620000000,  0.307288490000000,  0.059967390000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.671587580000000,  0.664896280000000,  0.376938900000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.518111950000000,  0.317574240000000,  0.527726110000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.432262240000000,  0.050057090000000,  0.193992650000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.692711510000000,  0.231424130000000,  0.393300730000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.682425760000000,  0.200537720000000,  0.861059440000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.894018360000000,  0.550385060000000,  0.939867490000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.983907310000000,  0.835908880000000,  0.048651250000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.799462280000000,  0.481888050000000,  0.194392770000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.006527600000000,  0.808917880000000,  0.529519780000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.016092690000000,  0.852001560000000,  0.284682080000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.768575870000000,  0.461287380000000,  0.726634060000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.993472400000000,  0.802390280000000,  0.803813560000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.656366700000000,  0.105981640000000,  0.606534160000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.949942910000000,  0.382205150000000,  0.527325980000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.802390280000000,  0.993472400000000,  0.196186440000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.993308700000000,  0.328412420000000,  0.043605570000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.105981640000000,  0.656366700000000,  0.393465840000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.050057090000000,  0.432262240000000,  0.806007350000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.328412420000000,  0.993308700000000,  0.956394430000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.852001560000000,  0.016092690000000,  0.715317920000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.231424130000000,  0.692711510000000,  0.606699270000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.006691300000000,  0.335103720000000,  0.289727760000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.200537720000000,  0.682425760000000,  0.138940560000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.382205150000000,  0.949942910000000,  0.472674020000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.461287380000000,  0.768575870000000,  0.273365940000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.481888050000000,  0.799462280000000,  0.805607230000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.343633300000000,  0.449614940000000,  0.726799170000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.147998440000000,  0.164091120000000,  0.618015420000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.317574240000000,  0.518111950000000,  0.472273890000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.197609720000000,  0.191082120000000,  0.137146890000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.307288490000000,  0.538712620000000,  0.940032610000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.550385060000000,  0.894018360000000,  0.060132510000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.567737760000000,  0.617794850000000,  0.139340680000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.808917880000000,  0.006527600000000,  0.470480220000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.664896280000000,  0.671587580000000,  0.623061100000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.835908880000000,  0.983907310000000,  0.951348750000000 ]    mass: 15.999400    reduced_to: 66supercell:  lattice:  - [     7.427946240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.713973110000000,     6.432790140000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.279084180000002 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.172500630000000,  0.172500630000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.163964450000000,  0.163964450000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 3    coordinates: [  0.498106810000000,  0.316773120000000,  0.654849560000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.000000000000000,  0.827499370000000,  0.666666670000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 5    coordinates: [  0.683226880000000,  0.181333690000000,  0.988182890000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.000000000000000,  0.836035550000000,  0.166666670000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.818666310000000,  0.501893190000000,  0.321516230000000 ]    mass: 164.930320    reduced_to: 7  - symbol: Ho # 8    coordinates: [  0.181333690000000,  0.683226880000000,  0.011817110000000 ]    mass: 164.930320    reduced_to: 8  - symbol: Ho # 9    coordinates: [  0.501893190000000,  0.818666310000000,  0.678483770000000 ]    mass: 164.930320    reduced_to: 9  - symbol: Ho # 10    coordinates: [  0.316773120000000,  0.498106810000000,  0.345150440000000 ]    mass: 164.930320    reduced_to: 10  - symbol: Ho # 11    coordinates: [  0.836035550000000,  0.000000000000000,  0.833333330000000 ]    mass: 164.930320    reduced_to: 11  - symbol: Ho # 12    coordinates: [  0.827499370000000,  0.000000000000000,  0.333333330000000 ]    mass: 164.930320    reduced_to: 12  - symbol: Sb # 13    coordinates: [  0.672641680000000,  0.672641680000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.696422050000000,  0.696422050000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.498412330000000,  0.332851130000000,  0.165640050000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.667148870000000,  0.165561220000000,  0.498973380000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.834438780000000,  0.501587670000000,  0.832306720000000 ]    mass: 121.760000    reduced_to: 17  - 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