# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c6b89819-0daf-44a9-9f27-bc5853a0b449/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 Na3AlP8O23 / P4_132 (213) / materials id 14389](https://mdr.nims.go.jp/datasets/c165209b-d3d7-46d4-aa59-aa16db099bcd)

## 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: "P4_132"  number: 213  Hall_symbol: "P 4bd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    11.935075210000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.935075210000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.935075210000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.659270190000000,  0.659270190000000,  0.659270190000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.909270190000000,  0.590729810000000,  0.409270190000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.590729810000000,  0.409270190000000,  0.909270190000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.409270190000000,  0.909270190000000,  0.590729810000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.159270190000000,  0.840729810000000,  0.340729810000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.840729810000000,  0.340729810000000,  0.159270190000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.340729810000000,  0.159270190000000,  0.840729810000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.090729810000000,  0.090729810000000,  0.090729810000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.437952640000000,  0.513468610000000,  0.678889300000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.937952640000000,  0.986531390000000,  0.321110700000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.513468610000000,  0.678889300000000,  0.437952640000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.486531390000000,  0.178889300000000,  0.062047360000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.678889300000000,  0.437952640000000,  0.513468610000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.821110700000000,  0.562047360000000,  0.013468610000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.187952640000000,  0.928889300000000,  0.736531390000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.687952640000000,  0.571110700000000,  0.263468610000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.812047360000000,  0.428889300000000,  0.763468610000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.571110700000000,  0.263468610000000,  0.687952640000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.763468610000000,  0.812047360000000,  0.428889300000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.263468610000000,  0.687952640000000,  0.571110700000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.928889300000000,  0.736531390000000,  0.187952640000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.736531390000000,  0.187952640000000,  0.928889300000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.428889300000000,  0.763468610000000,  0.812047360000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.071110700000000,  0.236531390000000,  0.312047360000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.236531390000000,  0.312047360000000,  0.071110700000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.321110700000000,  0.937952640000000,  0.986531390000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.178889300000000,  0.062047360000000,  0.486531390000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.013468610000000,  0.821110700000000,  0.562047360000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.986531390000000,  0.321110700000000,  0.937952640000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.062047360000000,  0.486531390000000,  0.178889300000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.562047360000000,  0.013468610000000,  0.821110700000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.312047360000000,  0.071110700000000,  0.236531390000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.375000000000000,  0.731685070000000,  0.018314930000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.518314930000000,  0.125000000000000,  0.268314930000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.737066060000000,  0.330845430000000,  0.342321640000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.231685070000000,  0.481685070000000,  0.625000000000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.981685070000000,  0.875000000000000,  0.768314930000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.018314930000000,  0.375000000000000,  0.731685070000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.481685070000000,  0.625000000000000,  0.231685070000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.268314930000000,  0.518314930000000,  0.125000000000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.731685070000000,  0.018314930000000,  0.375000000000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.625000000000000,  0.231685070000000,  0.481685070000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.125000000000000,  0.268314930000000,  0.518314930000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.875000000000000,  0.768314930000000,  0.981685070000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.330845430000000,  0.342321640000000,  0.737066060000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.830845430000000,  0.157678360000000,  0.262933940000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.342321640000000,  0.737066060000000,  0.330845430000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.657678360000000,  0.237066060000000,  0.169154570000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.032568490000000,  0.120784510000000,  0.634627910000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.282568490000000,  0.615372090000000,  0.870784510000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.782568490000000,  0.884627910000000,  0.129215490000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.384627910000000,  0.370784510000000,  0.217431510000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.615372090000000,  0.870784510000000,  0.282568490000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.129215490000000,  0.782568490000000,  0.884627910000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.370784510000000,  0.217431510000000,  0.384627910000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.634627910000000,  0.032568490000000,  0.120784510000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.120784510000000,  0.634627910000000,  0.032568490000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.379215490000000,  0.365372090000000,  0.532568490000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.134627910000000,  0.467431510000000,  0.879215490000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.879215490000000,  0.134627910000000,  0.467431510000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.865372090000000,  0.967431510000000,  0.620784510000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.365372090000000,  0.532568490000000,  0.379215490000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.620784510000000,  0.865372090000000,  0.967431510000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.532568490000000,  0.379215490000000,  0.365372090000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.967431510000000,  0.620784510000000,  0.865372090000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.467431510000000,  0.879215490000000,  0.134627910000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.870784510000000,  0.282568490000000,  0.615372090000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.629215490000000,  0.717431510000000,  0.115372090000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.884627910000000,  0.129215490000000,  0.782568490000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.115372090000000,  0.629215490000000,  0.717431510000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.217431510000000,  0.384627910000000,  0.370784510000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.717431510000000,  0.115372090000000,  0.629215490000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.419154570000000,  0.012933940000000,  0.407678360000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.669154570000000,  0.842321640000000,  0.762933940000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.169154570000000,  0.657678360000000,  0.237066060000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.157678360000000,  0.262933940000000,  0.830845430000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.842321640000000,  0.762933940000000,  0.669154570000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.237066060000000,  0.169154570000000,  0.657678360000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.262933940000000,  0.830845430000000,  0.157678360000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.407678360000000,  0.419154570000000,  0.012933940000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.012933940000000,  0.407678360000000,  0.419154570000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.487066060000000,  0.592321640000000,  0.919154570000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.907678360000000,  0.080845430000000,  0.987066060000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.987066060000000,  0.907678360000000,  0.080845430000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.092321640000000,  0.580845430000000,  0.512933940000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.592321640000000,  0.919154570000000,  0.487066060000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.512933940000000,  0.092321640000000,  0.580845430000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.919154570000000,  0.487066060000000,  0.592321640000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.580845430000000,  0.512933940000000,  0.092321640000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.080845430000000,  0.987066060000000,  0.907678360000000 ]    mass: 15.999400  - symbol: O  # 91    coordinates: [  0.762933940000000,  0.669154570000000,  0.842321640000000 ]    mass: 15.999400  - symbol: O  # 92    coordinates: [  0.768314930000000,  0.981685070000000,  0.875000000000000 ]    mass: 15.999400  - symbol: Na # 93    coordinates: [  0.375000000000000,  0.956668090000000,  0.793331910000000 ]    mass: 22.989769  - symbol: Na # 94    coordinates: [  0.293331910000000,  0.125000000000000,  0.043331910000000 ]    mass: 22.989769  - symbol: Na # 95    coordinates: [  0.456668090000000,  0.706668090000000,  0.625000000000000 ]    mass: 22.989769  - symbol: Na # 96    coordinates: [  0.543331910000000,  0.206668090000000,  0.875000000000000 ]    mass: 22.989769  - symbol: Na # 97    coordinates: [  0.875000000000000,  0.543331910000000,  0.206668090000000 ]    mass: 22.989769  - symbol: Na # 98    coordinates: [  0.125000000000000,  0.043331910000000,  0.293331910000000 ]    mass: 22.989769  - symbol: Na # 99    coordinates: [  0.625000000000000,  0.456668090000000,  0.706668090000000 ]    mass: 22.989769  - symbol: Na # 100    coordinates: [  0.956668090000000,  0.793331910000000,  0.375000000000000 ]    mass: 22.989769  - symbol: Na # 101    coordinates: [  0.043331910000000,  0.293331910000000,  0.125000000000000 ]    mass: 22.989769  - symbol: Na # 102    coordinates: [  0.706668090000000,  0.625000000000000,  0.456668090000000 ]    mass: 22.989769  - symbol: Na # 103    coordinates: [  0.793331910000000,  0.375000000000000,  0.956668090000000 ]    mass: 22.989769  - symbol: Na # 104    coordinates: [  0.206668090000000,  0.875000000000000,  0.543331910000000 ]    mass: 22.989769  - symbol: Al # 105    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 26.981539  - symbol: Al # 106    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 26.981539  - symbol: Al # 107    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 26.981539  - symbol: Al # 108    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 26.981539  - symbol: P  # 109    coordinates: [  0.636587310000000,  0.355281270000000,  0.431115600000000 ]    mass: 30.973762  - symbol: P  # 110    coordinates: [  0.644718730000000,  0.931115600000000,  0.863412690000000 ]    mass: 30.973762  - symbol: P  # 111    coordinates: [  0.431115600000000,  0.636587310000000,  0.355281270000000 ]    mass: 30.973762  - symbol: P  # 112    coordinates: [  0.931115600000000,  0.863412690000000,  0.644718730000000 ]    mass: 30.973762  - symbol: P  # 113    coordinates: [  0.855281270000000,  0.068884400000000,  0.363412690000000 ]    mass: 30.973762  - symbol: P  # 114    coordinates: [  0.068884400000000,  0.363412690000000,  0.855281270000000 ]    mass: 30.973762  - symbol: P  # 115    coordinates: [  0.355281270000000,  0.431115600000000,  0.636587310000000 ]    mass: 30.973762  - symbol: P  # 116    coordinates: [  0.144718730000000,  0.568884400000000,  0.136587310000000 ]    mass: 30.973762  - symbol: P  # 117    coordinates: [  0.568884400000000,  0.136587310000000,  0.144718730000000 ]    mass: 30.973762  - symbol: P  # 118    coordinates: [  0.394718730000000,  0.113412690000000,  0.318884400000000 ]    mass: 30.973762  - symbol: P  # 119    coordinates: [  0.105281270000000,  0.886587310000000,  0.818884400000000 ]    mass: 30.973762  - symbol: P  # 120    coordinates: [  0.681115600000000,  0.894718730000000,  0.386587310000000 ]    mass: 30.973762  - symbol: P  # 121    coordinates: [  0.318884400000000,  0.394718730000000,  0.113412690000000 ]    mass: 30.973762  - symbol: P  # 122    coordinates: [  0.886587310000000,  0.818884400000000,  0.105281270000000 ]    mass: 30.973762  - symbol: P  # 123    coordinates: [  0.386587310000000,  0.681115600000000,  0.894718730000000 ]    mass: 30.973762  - symbol: P  # 124    coordinates: [  0.136587310000000,  0.144718730000000,  0.568884400000000 ]    mass: 30.973762  - symbol: P  # 125    coordinates: [  0.863412690000000,  0.644718730000000,  0.931115600000000 ]    mass: 30.973762  - symbol: P  # 126    coordinates: [  0.363412690000000,  0.855281270000000,  0.068884400000000 ]    mass: 30.973762  - symbol: P  # 127    coordinates: [  0.894718730000000,  0.386587310000000,  0.681115600000000 ]    mass: 30.973762  - symbol: P  # 128    coordinates: [  0.605281270000000,  0.613412690000000,  0.181115600000000 ]    mass: 30.973762  - symbol: P  # 129    coordinates: [  0.818884400000000,  0.105281270000000,  0.886587310000000 ]    mass: 30.973762  - symbol: P  # 130    coordinates: [  0.181115600000000,  0.605281270000000,  0.613412690000000 ]    mass: 30.973762  - symbol: P  # 131    coordinates: [  0.113412690000000,  0.318884400000000,  0.394718730000000 ]    mass: 30.973762  - symbol: P  # 132    coordinates: [  0.613412690000000,  0.181115600000000,  0.605281270000000 ]    mass: 30.973762  - symbol: P  # 133    coordinates: [  0.019226040000000,  0.019226040000000,  0.019226040000000 ]    mass: 30.973762  - symbol: P  # 134    coordinates: [  0.269226040000000,  0.230773960000000,  0.769226040000000 ]    mass: 30.973762  - symbol: P  # 135    coordinates: [  0.769226040000000,  0.269226040000000,  0.230773960000000 ]    mass: 30.973762  - symbol: P  # 136    coordinates: [  0.230773960000000,  0.769226040000000,  0.269226040000000 ]    mass: 30.973762  - symbol: P  # 137    coordinates: [  0.480773960000000,  0.980773960000000,  0.519226040000000 ]    mass: 30.973762  - symbol: P  # 138    coordinates: [  0.519226040000000,  0.480773960000000,  0.980773960000000 ]    mass: 30.973762  - symbol: P  # 139    coordinates: [  0.980773960000000,  0.519226040000000,  0.480773960000000 ]    mass: 30.973762  - symbol: P  # 140    coordinates: [  0.730773960000000,  0.730773960000000,  0.730773960000000 ]    mass: 30.973762  reciprocal_lattice: # without 2pi  - [     0.083786652568568,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.083786652568568,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.083786652568568 ] # c*unit_cell:  lattice:  - [    11.935075210000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.935075210000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.935075210000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.659270190000000,  0.659270190000000,  0.659270190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.909270190000000,  0.590729810000000,  0.409270190000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.590729810000000,  0.409270190000000,  0.909270190000000 ]    mass: 15.999400    reduced_to: 3  - 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