# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/40ab7b34-78c4-4b18-a86f-b008b86644f3/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 Dy2TiO5 / Pnma (62) / materials id 771165](https://mdr.nims.go.jp/datasets/e9a36c2f-f13a-4296-bacb-bf72f634b003)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     7.265996720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.629631920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.297775870000001 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.910730600000000,  0.750000000000000,  0.089861870000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.868021780000000,  0.750000000000000,  0.730365250000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.631978220000000,  0.250000000000000,  0.230365250000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.589269400000000,  0.250000000000000,  0.589861870000000 ]    mass: 162.500000  - symbol: Dy # 5    coordinates: [  0.410730600000000,  0.750000000000000,  0.410138130000000 ]    mass: 162.500000  - symbol: Dy # 6    coordinates: [  0.368021780000000,  0.750000000000000,  0.769634750000000 ]    mass: 162.500000  - symbol: Dy # 7    coordinates: [  0.131978220000000,  0.250000000000000,  0.269634750000000 ]    mass: 162.500000  - symbol: Dy # 8    coordinates: [  0.089269400000000,  0.250000000000000,  0.910138130000000 ]    mass: 162.500000  - symbol: Ti # 9    coordinates: [  0.871582630000000,  0.750000000000000,  0.426669500000000 ]    mass: 47.867000  - symbol: Ti # 10    coordinates: [  0.628417370000000,  0.250000000000000,  0.926669500000000 ]    mass: 47.867000  - symbol: Ti # 11    coordinates: [  0.371582630000000,  0.750000000000000,  0.073330500000000 ]    mass: 47.867000  - symbol: Ti # 12    coordinates: [  0.128417370000000,  0.250000000000000,  0.573330500000000 ]    mass: 47.867000  - symbol: O  # 13    coordinates: [  0.907934080000000,  0.250000000000000,  0.177866900000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.920019540000000,  0.250000000000000,  0.451549410000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.894598080000000,  0.250000000000000,  0.647279240000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.846051540000000,  0.250000000000000,  0.001885170000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.714415810000000,  0.750000000000000,  0.330203630000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.785584190000000,  0.250000000000000,  0.830203630000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.653948460000000,  0.750000000000000,  0.501885170000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.605401920000000,  0.750000000000000,  0.147279240000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.579980460000000,  0.750000000000000,  0.951549410000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.592065920000000,  0.750000000000000,  0.677866900000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.407934080000000,  0.250000000000000,  0.322133100000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.420019540000000,  0.250000000000000,  0.048450590000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.394598080000000,  0.250000000000000,  0.852720760000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.346051540000000,  0.250000000000000,  0.498114830000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.214415810000000,  0.750000000000000,  0.169796370000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.285584190000000,  0.250000000000000,  0.669796370000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.153948460000000,  0.750000000000000,  0.998114830000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.105401920000000,  0.750000000000000,  0.352720760000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.079980460000000,  0.750000000000000,  0.548450590000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.092065920000000,  0.750000000000000,  0.822133100000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.137627367384774,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.275510030229181,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.065368979680312 ] # c*unit_cell:  lattice:  - [     7.265996720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.629631920000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.297775870000001 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.910730600000000,  0.750000000000000,  0.089861870000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.868021780000000,  0.750000000000000,  0.730365250000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.631978220000000,  0.250000000000000,  0.230365250000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.589269400000000,  0.250000000000000,  0.589861870000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.410730600000000,  0.750000000000000,  0.410138130000000 ]    mass: 162.500000    reduced_to: 5  - symbol: Dy # 6    coordinates: [  0.368021780000000,  0.750000000000000,  0.769634750000000 ]    mass: 162.500000    reduced_to: 6  - symbol: Dy # 7    coordinates: [  0.131978220000000,  0.250000000000000,  0.269634750000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.089269400000000,  0.250000000000000,  0.910138130000000 ]    mass: 162.500000    reduced_to: 8  - symbol: Ti # 9    coordinates: [  0.871582630000000,  0.750000000000000,  0.426669500000000 ]    mass: 47.867000    reduced_to: 9  - symbol: Ti # 10    coordinates: [  0.628417370000000,  0.250000000000000,  0.926669500000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 11    coordinates: [  0.371582630000000,  0.750000000000000,  0.073330500000000 ]    mass: 47.867000    reduced_to: 11  - symbol: Ti # 12    coordinates: [  0.128417370000000,  0.250000000000000,  0.573330500000000 ]    mass: 47.867000    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.907934080000000,  0.250000000000000,  0.177866900000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.920019540000000,  0.250000000000000,  0.451549410000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.894598080000000,  0.250000000000000,  0.647279240000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.846051540000000,  0.250000000000000,  0.001885170000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.714415810000000,  0.750000000000000,  0.330203630000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.785584190000000,  0.250000000000000,  0.830203630000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.653948460000000,  0.750000000000000,  0.501885170000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.605401920000000,  0.750000000000000,  0.147279240000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.579980460000000,  0.750000000000000,  0.951549410000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.592065920000000,  0.750000000000000,  0.677866900000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.407934080000000,  0.250000000000000,  0.322133100000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.420019540000000,  0.250000000000000,  0.048450590000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.394598080000000,  0.250000000000000,  0.852720760000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.346051540000000,  0.250000000000000,  0.498114830000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.214415810000000,  0.750000000000000,  0.169796370000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.285584190000000,  0.250000000000000,  0.669796370000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.153948460000000,  0.750000000000000,  0.998114830000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.105401920000000,  0.750000000000000,  0.352720760000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.079980460000000,  0.750000000000000,  0.548450590000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.092065920000000,  0.750000000000000,  0.822133100000000 ]    mass: 15.999400    reduced_to: 32supercell:  lattice:  - [     7.265996720000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.888895760000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.297775870000001 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.910730600000000,  0.250000000000000,  0.089861870000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.910730600000000,  0.583333333333333,  0.089861870000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 3    coordinates: [  0.910730600000000,  0.916666666666667,  0.089861870000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 4    coordinates: [  0.868021780000000,  0.250000000000000,  0.730365250000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.868021780000000,  0.583333333333333,  0.730365250000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 6    coordinates: [  0.868021780000000,  0.916666666666667,  0.730365250000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 7    coordinates: [  0.631978220000000,  0.083333333333333,  0.230365250000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 8    coordinates: [  0.631978220000000,  0.416666666666667,  0.230365250000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 9    coordinates: [  0.631978220000000,  0.750000000000000,  0.230365250000000 ]    mass: 162.500000    reduced_to: 7  - symbol: Dy # 10    coordinates: [  0.589269400000000,  0.083333333333333,  0.589861870000000 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 11    coordinates: [  0.589269400000000,  0.416666666666667,  0.589861870000000 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 12    coordinates: [  0.589269400000000,  0.750000000000000,  0.589861870000000 ]    mass: 162.500000    reduced_to: 10  - symbol: Dy # 13    coordinates: [  0.410730600000000,  0.250000000000000,  0.410138130000000 ]    mass: 162.500000    reduced_to: 13  - symbol: Dy # 14    coordinates: [  0.410730600000000,  0.583333333333333,  0.410138130000000 ]    mass: 162.500000    reduced_to: 13  - symbol: Dy # 15    coordinates: [  0.410730600000000,  0.916666666666667,  0.410138130000000 ]    mass: 162.500000    reduced_to: 13  - symbol: Dy # 16    coordinates: [  0.368021780000000,  0.250000000000000,  0.769634750000000 ]    mass: 162.500000    reduced_to: 16  - symbol: Dy # 17    coordinates: [  0.368021780000000,  0.583333333333333,  0.769634750000000 ]    mass: 162.500000    reduced_to: 16  - symbol: Dy # 18    coordinates: [  0.368021780000000,  0.916666666666667,  0.769634750000000 ]    mass: 162.500000    reduced_to: 16  - symbol: Dy # 19    coordinates: [  0.131978220000000,  0.083333333333333,  0.269634750000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 20    coordinates: [  0.131978220000000,  0.416666666666667,  0.269634750000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 21    coordinates: [  0.131978220000000,  0.750000000000000,  0.269634750000000 ]    mass: 162.500000    reduced_to: 19  - symbol: Dy # 22    coordinates: [  0.089269400000000,  0.083333333333333,  0.910138130000000 ]    mass: 162.500000    reduced_to: 22  - symbol: Dy # 23    coordinates: [  0.089269400000000,  0.416666666666667,  0.910138130000000 ]    mass: 162.500000    reduced_to: 22  - symbol: Dy # 24    coordinates: [  0.089269400000000,  0.750000000000000,  0.910138130000000 ]    mass: 162.500000    reduced_to: 22  - symbol: Ti # 25    coordinates: [  0.871582630000000,  0.250000000000000,  0.426669500000000 ]    mass: 47.867000    reduced_to: 25  - symbol: Ti # 26    coordinates: [  0.871582630000000,  0.583333333333333,  0.426669500000000 ]    mass: 47.867000    reduced_to: 25  - symbol: Ti # 27    coordinates: [  0.871582630000000,  0.916666666666667,  0.426669500000000 ]    mass: 47.867000    reduced_to: 25  - symbol: Ti # 28    coordinates: [  0.628417370000000,  0.083333333333333,  0.926669500000000 ]    mass: 47.867000    reduced_to: 28  - symbol: Ti # 29    coordinates: [  0.628417370000000,  0.416666666666667,  0.926669500000000 ]    mass: 47.867000    reduced_to: 28  - symbol: Ti # 30    coordinates: [  0.628417370000000,  0.750000000000000,  0.926669500000000 ]    mass: 47.867000    reduced_to: 28  - symbol: Ti # 31    coordinates: [  0.371582630000000,  0.250000000000000,  0.073330500000000 ]    mass: 47.867000    reduced_to: 31  - symbol: Ti # 32    coordinates: [  0.371582630000000,  0.583333333333333,  0.073330500000000 ]    mass: 47.867000    reduced_to: 31  - symbol: Ti # 33    coordinates: [  0.371582630000000,  0.916666666666667,  0.073330500000000 ]    mass: 47.867000    reduced_to: 31  - symbol: Ti # 34    coordinates: [  0.128417370000000,  0.083333333333333,  0.573330500000000 ]    mass: 47.867000    reduced_to: 34  - symbol: Ti # 35    coordinates: [  0.128417370000000,  0.416666666666667,  0.573330500000000 ]    mass: 47.867000    reduced_to: 34  - symbol: Ti # 36    coordinates: [  0.128417370000000,  0.750000000000000,  0.573330500000000 ]    mass: 47.867000    reduced_to: 34  - symbol: O  # 37    coordinates: [  0.907934080000000,  0.083333333333333,  0.177866900000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.907934080000000,  0.416666666666667,  0.177866900000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.907934080000000,  0.750000000000000,  0.177866900000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.920019540000000,  0.083333333333333,  0.451549410000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.920019540000000,  0.416666666666667,  0.451549410000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 42    coordinates: [  0.920019540000000,  0.750000000000000,  0.451549410000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 43    coordinates: [  0.894598080000000,  0.083333333333333,  0.647279240000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.894598080000000,  0.416666666666667,  0.647279240000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.894598080000000,  0.750000000000000,  0.647279240000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 46    coordinates: [  0.846051540000000,  0.083333333333333,  0.001885170000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.846051540000000,  0.416666666666667,  0.001885170000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 48    coordinates: [  0.846051540000000,  0.750000000000000,  0.001885170000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 49    coordinates: [  0.714415810000000,  0.250000000000000,  0.330203630000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.714415810000000,  0.583333333333333,  0.330203630000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.714415810000000,  0.916666666666667,  0.330203630000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.785584190000000,  0.083333333333333,  0.830203630000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.785584190000000,  0.416666666666667,  0.830203630000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 54    coordinates: [  0.785584190000000,  0.750000000000000,  0.830203630000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 55    coordinates: [  0.653948460000000,  0.250000000000000,  0.501885170000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.653948460000000,  0.583333333333333,  0.501885170000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.653948460000000,  0.916666666666667,  0.501885170000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.605401920000000,  0.250000000000000,  0.147279240000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.605401920000000,  0.583333333333333,  0.147279240000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 60    coordinates: [  0.605401920000000,  0.916666666666667,  0.147279240000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 61    coordinates: [  0.579980460000000,  0.250000000000000,  0.951549410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.579980460000000,  0.583333333333333,  0.951549410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.579980460000000,  0.916666666666667,  0.951549410000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.592065920000000,  0.250000000000000,  0.677866900000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.592065920000000,  0.583333333333333,  0.677866900000000 ]    mass: 15.999400    reduced_to: 64  - 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