# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e78fcdee-33a4-4460-a6f5-544a93349ab6/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 Sr3Y2(GeO4)3 / Ia-3d (230) / materials id 15103](https://mdr.nims.go.jp/datasets/2f4badbd-d3b3-4e9a-a23d-72a8b3d33b6b)

## 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: "Ia-3d"  number: 230  Hall_symbol: "-I 4bd 2c 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -6.535381385000000,     6.535381385000000,     6.535381385000000 ] # a  - [     6.535381385000000,    -6.535381385000000,     6.535381385000000 ] # b  - [     6.535381385000000,     6.535381385000000,    -6.535381385000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.408902170000000,  0.802771700000000,  0.789272050000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.880369880000000,  0.393869530000000,  0.091097830000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.106130470000000,  0.986500350000000,  0.697228300000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.513499650000000,  0.619630120000000,  0.710727950000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.697228300000000,  0.091097830000000,  0.710727950000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.619630120000000,  0.710727950000000,  0.513499650000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.619630120000000,  0.408902170000000,  0.106130470000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.710727950000000,  0.513499650000000,  0.619630120000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.802771700000000,  0.513499650000000,  0.393869530000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.986500350000000,  0.789272050000000,  0.880369880000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.789272050000000,  0.880369880000000,  0.986500350000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.710727950000000,  0.697228300000000,  0.091097830000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.408902170000000,  0.106130470000000,  0.619630120000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.393869530000000,  0.802771700000000,  0.513499650000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.091097830000000,  0.710727950000000,  0.697228300000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.106130470000000,  0.619630120000000,  0.408902170000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.513499650000000,  0.393869530000000,  0.802771700000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.091097830000000,  0.880369880000000,  0.393869530000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.986500350000000,  0.697228300000000,  0.106130470000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.197228300000000,  0.486500350000000,  0.606130470000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.697228300000000,  0.106130470000000,  0.986500350000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.789272050000000,  0.408902170000000,  0.802771700000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.393869530000000,  0.091097830000000,  0.880369880000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.880369880000000,  0.986500350000000,  0.789272050000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.591097830000000,  0.197228300000000,  0.210727950000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.119630120000000,  0.606130470000000,  0.908902170000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.893869530000000,  0.013499650000000,  0.302771700000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.486500350000000,  0.380369880000000,  0.289272050000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.302771700000000,  0.908902170000000,  0.289272050000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.380369880000000,  0.289272050000000,  0.486500350000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.380369880000000,  0.591097830000000,  0.893869530000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.289272050000000,  0.486500350000000,  0.380369880000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.119630120000000,  0.013499650000000,  0.210727950000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.606130470000000,  0.908902170000000,  0.119630120000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.210727950000000,  0.591097830000000,  0.197228300000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.197228300000000,  0.210727950000000,  0.591097830000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.302771700000000,  0.893869530000000,  0.013499650000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.013499650000000,  0.302771700000000,  0.893869530000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.908902170000000,  0.119630120000000,  0.606130470000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.486500350000000,  0.606130470000000,  0.197228300000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.893869530000000,  0.380369880000000,  0.591097830000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.908902170000000,  0.289272050000000,  0.302771700000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.606130470000000,  0.197228300000000,  0.486500350000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.591097830000000,  0.893869530000000,  0.380369880000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.289272050000000,  0.302771700000000,  0.908902170000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.210727950000000,  0.119630120000000,  0.013499650000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.013499650000000,  0.210727950000000,  0.119630120000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.802771700000000,  0.789272050000000,  0.408902170000000 ]    mass: 15.999400  - symbol: Ge # 49    coordinates: [  0.125000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 50    coordinates: [  0.875000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 51    coordinates: [  0.250000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 72.640000  - symbol: Ge # 52    coordinates: [  0.375000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 72.640000  - symbol: Ge # 53    coordinates: [  0.750000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 72.640000  - symbol: Ge # 54    coordinates: [  0.125000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 72.640000  - symbol: Ge # 55    coordinates: [  0.375000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 56    coordinates: [  0.625000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 72.640000  - symbol: Ge # 57    coordinates: [  0.875000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 72.640000  - symbol: Ge # 58    coordinates: [  0.250000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 72.640000  - symbol: Ge # 59    coordinates: [  0.750000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 72.640000  - symbol: Ge # 60    coordinates: [  0.625000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Sr # 61    coordinates: [  0.750000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 87.620000  - symbol: Sr # 62    coordinates: [  0.250000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 87.620000  - symbol: Sr # 63    coordinates: [  0.125000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 87.620000  - symbol: Sr # 64    coordinates: [  0.375000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 87.620000  - symbol: Sr # 65    coordinates: [  0.750000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 87.620000  - symbol: Sr # 66    coordinates: [  0.125000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 67    coordinates: [  0.625000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 68    coordinates: [  0.250000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 87.620000  - symbol: Sr # 69    coordinates: [  0.875000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 70    coordinates: [  0.625000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 87.620000  - symbol: Sr # 71    coordinates: [  0.875000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 87.620000  - symbol: Sr # 72    coordinates: [  0.375000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Y  # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 74    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 75    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 76    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 77    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 78    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 79    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 80    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.076506629153671,     0.076506629153671 ] # a*  - [     0.076506629153671,     0.000000000000000,     0.076506629153671 ] # b*  - [     0.076506629153671,     0.076506629153671,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    13.070762770000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.070762770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.070762770000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.091570790000000,  0.697701260000000,  0.711200910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.302298740000000,  0.788799090000000,  0.091570790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.288799090000000,  0.408429210000000,  0.697701260000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.908429210000000,  0.802298740000000,  0.711200910000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.552298740000000,  0.158429210000000,  0.538799090000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.802298740000000,  0.711200910000000,  0.908429210000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.447701260000000,  0.658429210000000,  0.961200910000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.711200910000000,  0.908429210000000,  0.802298740000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.552298740000000,  0.841570790000000,  0.961200910000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.841570790000000,  0.038799090000000,  0.947701260000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.038799090000000,  0.947701260000000,  0.841570790000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.538799090000000,  0.552298740000000,  0.158429210000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.658429210000000,  0.961200910000000,  0.447701260000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.961200910000000,  0.552298740000000,  0.841570790000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.158429210000000,  0.538799090000000,  0.552298740000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.961200910000000,  0.447701260000000,  0.658429210000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.841570790000000,  0.961200910000000,  0.552298740000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.091570790000000,  0.302298740000000,  0.788799090000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.408429210000000,  0.697701260000000,  0.288799090000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.947701260000000,  0.658429210000000,  0.538799090000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.697701260000000,  0.288799090000000,  0.408429210000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.711200910000000,  0.091570790000000,  0.697701260000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.788799090000000,  0.091570790000000,  0.302298740000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.947701260000000,  0.841570790000000,  0.038799090000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.408429210000000,  0.802298740000000,  0.788799090000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.197701260000000,  0.711200910000000,  0.408429210000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.211200910000000,  0.091570790000000,  0.802298740000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.591570790000000,  0.697701260000000,  0.788799090000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.947701260000000,  0.341570790000000,  0.961200910000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.697701260000000,  0.788799090000000,  0.591570790000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.052298740000000,  0.841570790000000,  0.538799090000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.788799090000000,  0.591570790000000,  0.697701260000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.552298740000000,  0.658429210000000,  0.461200910000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.711200910000000,  0.408429210000000,  0.197701260000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.788799090000000,  0.408429210000000,  0.802298740000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.802298740000000,  0.788799090000000,  0.408429210000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.802298740000000,  0.211200910000000,  0.091570790000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.091570790000000,  0.802298740000000,  0.211200910000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.408429210000000,  0.197701260000000,  0.711200910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.658429210000000,  0.538799090000000,  0.947701260000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.538799090000000,  0.052298740000000,  0.841570790000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.341570790000000,  0.961200910000000,  0.947701260000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.538799090000000,  0.947701260000000,  0.658429210000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.841570790000000,  0.538799090000000,  0.052298740000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.961200910000000,  0.947701260000000,  0.341570790000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.461200910000000,  0.552298740000000,  0.658429210000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.658429210000000,  0.461200910000000,  0.552298740000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.697701260000000,  0.711200910000000,  0.091570790000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.591570790000000,  0.197701260000000,  0.211200910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.802298740000000,  0.288799090000000,  0.591570790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 51    coordinates: [  0.788799090000000,  0.908429210000000,  0.197701260000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.408429210000000,  0.302298740000000,  0.211200910000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 53    coordinates: [  0.052298740000000,  0.658429210000000,  0.038799090000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.302298740000000,  0.211200910000000,  0.408429210000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 55    coordinates: [  0.947701260000000,  0.158429210000000,  0.461200910000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 56    coordinates: [  0.211200910000000,  0.408429210000000,  0.302298740000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 57    coordinates: [  0.052298740000000,  0.341570790000000,  0.461200910000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 58    coordinates: [  0.341570790000000,  0.538799090000000,  0.447701260000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 59    coordinates: [  0.538799090000000,  0.447701260000000,  0.341570790000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 60    coordinates: [  0.038799090000000,  0.052298740000000,  0.658429210000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 61    coordinates: [  0.158429210000000,  0.461200910000000,  0.947701260000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 62    coordinates: [  0.461200910000000,  0.052298740000000,  0.341570790000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 63    coordinates: [  0.658429210000000,  0.038799090000000,  0.052298740000000 ]    mass: 15.999400    reduced_to: 15  - 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