# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/851473aa-23fb-4eb6-a8d8-f39292c3e040/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 Y3DyO6 / C2 (5) / materials id 757197](https://mdr.nims.go.jp/datasets/7f42ffd9-11bb-454b-9b5c-97395b539a53)

## 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"  number: 5  Hall_symbol: "C 2y"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:  - [     7.453478065000000,    -5.271214085000000,     0.000391355000000 ] # a  - [     7.453478065000000,     5.271214085000000,     0.000391355000000 ] # b  - [    -7.451609140000000,     0.000000000000000,     7.453089390000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.532726290000000,  0.467273710000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 2    coordinates: [  0.217230140000000,  0.717211720000000,  0.717236460000000 ]    mass: 162.500000  - symbol: Dy # 3    coordinates: [  0.282788280000000,  0.782769860000000,  0.282763540000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.032809070000000,  0.967190930000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Y  # 5    coordinates: [  0.967398850000000,  0.032601150000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.500006750000000,  0.000087070000000,  0.750103250000000 ]    mass: 88.905850  - symbol: Y  # 7    coordinates: [  0.782655360000000,  0.282633920000000,  0.782658640000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.717366080000000,  0.217344640000000,  0.217341360000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.749942310000000,  0.749984490000000,  0.032627020000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.750013920000000,  0.750057120000000,  0.532639670000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.999912930000000,  0.499993250000000,  0.249896750000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.500167570000000,  0.999987510000000,  0.250098430000000 ]    mass: 88.905850  - symbol: Y  # 13    coordinates: [  0.467319660000000,  0.532680340000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.000012490000000,  0.499832430000000,  0.749901570000000 ]    mass: 88.905850  - symbol: Y  # 15    coordinates: [  0.249942880000000,  0.249986080000000,  0.467360330000000 ]    mass: 88.905850  - symbol: Y  # 16    coordinates: [  0.250015510000000,  0.250057690000000,  0.967372980000000 ]    mass: 88.905850  - symbol: O  # 17    coordinates: [  0.760496610000000,  0.541985330000000,  0.780870330000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.739294620000000,  0.957737580000000,  0.978235220000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.271910430000000,  0.969003350000000,  0.761319440000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.968798590000000,  0.271587470000000,  0.260891110000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.468888550000000,  0.771809570000000,  0.979681150000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.771688360000000,  0.468914280000000,  0.479409380000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.042262420000000,  0.260705380000000,  0.021764780000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.458014670000000,  0.239503390000000,  0.219129670000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.770394440000000,  0.011096100000000,  0.292197290000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.729461750000000,  0.488966110000000,  0.010676270000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.011051640000000,  0.770337320000000,  0.792019600000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.488886250000000,  0.729807250000000,  0.510661960000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.270192750000000,  0.511113750000000,  0.489338040000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.229662680000000,  0.988948360000000,  0.207980400000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.988903900000000,  0.229605560000000,  0.707802710000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.511033890000000,  0.270538250000000,  0.989323730000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.542329890000000,  0.760650770000000,  0.281196890000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.957940340000000,  0.739554620000000,  0.478365020000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.531085720000000,  0.228311640000000,  0.520590620000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.228190430000000,  0.531111450000000,  0.020318850000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.030996650000000,  0.728089570000000,  0.238680560000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.728412530000000,  0.031201410000000,  0.739108890000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.239349230000000,  0.457670110000000,  0.718803110000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.260445380000000,  0.042059660000000,  0.521634980000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.067079254685125,    -0.094854808007670,     0.067065932147107 ] # a*  - [     0.067079254685125,     0.094854808007670,     0.067065932147107 ] # b*  - [    -0.000007044542295,     0.000000000000000,     0.134165505671501 ] # c*unit_cell:  lattice:  - [    14.906956129999999,     0.000000000000000,     0.000782710000000 ] # a  - [     0.000000000000000,    10.542428170000001,     0.000000000000000 ] # b  - [    -7.451609140000000,     0.000000000000000,     7.453089390000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.500000000000000,  0.967273710000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.967220930000000,  0.749990790000000,  0.717236460000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.032779070000000,  0.749990790000000,  0.282763540000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.967190930000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.000000000000000,  0.467273710000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 6    coordinates: [  0.467220930000000,  0.249990790000000,  0.717236460000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 7    coordinates: [  0.532779070000000,  0.249990790000000,  0.282763540000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 8    coordinates: [  0.500000000000000,  0.467190930000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Y  # 9    coordinates: [  0.500000000000000,  0.532601150000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.750046910000000,  0.250040160000000,  0.750103250000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.532644640000000,  0.749989280000000,  0.782658640000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.467355360000000,  0.749989280000000,  0.217341360000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 13    coordinates: [  0.749963400000000,  0.000021090000000,  0.032627020000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.750035520000000,  0.000021600000000,  0.532639670000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.749953090000000,  0.750040160000000,  0.249896750000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 16    coordinates: [  0.750077540000000,  0.249909970000000,  0.250098430000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 17    coordinates: [  0.000000000000000,  0.532680340000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 18    coordinates: [  0.749922460000000,  0.749909970000000,  0.749901570000000 ]    mass: 88.905850    reduced_to: 18  - symbol: Y  # 19    coordinates: [  0.749964480000000,  0.500021600000000,  0.467360330000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 20    coordinates: [  0.750036600000000,  0.500021090000000,  0.967372980000000 ]    mass: 88.905850    reduced_to: 20  - symbol: Y  # 21    coordinates: [  0.000000000000000,  0.032601150000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 22    coordinates: [  0.250046910000000,  0.750040160000000,  0.750103250000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 23    coordinates: [  0.032644640000000,  0.249989280000000,  0.782658640000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 24    coordinates: [  0.967355360000000,  0.249989280000000,  0.217341360000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 25    coordinates: [  0.249963400000000,  0.500021090000000,  0.032627020000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 26    coordinates: [  0.250035520000000,  0.500021600000000,  0.532639670000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 27    coordinates: [  0.249953090000000,  0.250040160000000,  0.249896750000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 28    coordinates: [  0.250077540000000,  0.749909970000000,  0.250098430000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 29    coordinates: [  0.500000000000000,  0.032680340000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 30    coordinates: [  0.249922460000000,  0.249909970000000,  0.749901570000000 ]    mass: 88.905850    reduced_to: 18  - symbol: Y  # 31    coordinates: [  0.249964480000000,  0.000021600000000,  0.467360330000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 32    coordinates: [  0.250036600000000,  0.000021090000000,  0.967372980000000 ]    mass: 88.905850    reduced_to: 20  - symbol: O  # 33    coordinates: [  0.651240970000000,  0.890744360000000,  0.780870330000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.848516100000000,  0.109221480000000,  0.978235220000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.620456890000000,  0.348546460000000,  0.761319440000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.620193030000000,  0.651394440000000,  0.260891110000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.620349060000000,  0.151460510000000,  0.979681150000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.620301320000000,  0.848612960000000,  0.479409380000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.151483900000000,  0.109221480000000,  0.021764780000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.348759030000000,  0.890744360000000,  0.219129670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.390745270000000,  0.620350830000000,  0.292197290000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.109213930000000,  0.379752180000000,  0.010676270000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.890694480000000,  0.879642840000000,  0.792019600000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.609346750000000,  0.120460500000000,  0.510661960000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.390653250000000,  0.120460500000000,  0.489338040000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.109305520000000,  0.879642840000000,  0.207980400000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.609254730000000,  0.620350830000000,  0.707802710000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.890786070000000,  0.379752180000000,  0.989323730000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.151490330000000,  0.609160440000000,  0.281196890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.348747480000000,  0.390807140000000,  0.478365020000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.879698680000000,  0.348612960000000,  0.520590620000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.879650940000000,  0.651460510000000,  0.020318850000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.879543110000000,  0.848546460000000,  0.238680560000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.879806970000000,  0.151394440000000,  0.739108890000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.848509670000000,  0.609160440000000,  0.718803110000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.651252520000000,  0.390807140000000,  0.521634980000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.151240970000000,  0.390744360000000,  0.780870330000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.348516100000000,  0.609221480000000,  0.978235220000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.120456890000000,  0.848546460000000,  0.761319440000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.120193030000000,  0.151394440000000,  0.260891110000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.120349060000000,  0.651460510000000,  0.979681150000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.120301320000000,  0.348612960000000,  0.479409380000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.651483900000000,  0.609221480000000,  0.021764780000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.848759030000000,  0.390744360000000,  0.219129670000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.890745270000000,  0.120350830000000,  0.292197290000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.609213930000000,  0.879752180000000,  0.010676270000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.390694480000000,  0.379642840000000,  0.792019600000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.109346750000000,  0.620460500000000,  0.510661960000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.890653250000000,  0.620460500000000,  0.489338040000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.609305520000000,  0.379642840000000,  0.207980400000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.109254730000000,  0.120350830000000,  0.707802710000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.390786070000000,  0.879752180000000,  0.989323730000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.651490330000000,  0.109160440000000,  0.281196890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.848747480000000,  0.890807140000000,  0.478365020000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.379698680000000,  0.848612960000000,  0.520590620000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.379650940000000,  0.151460510000000,  0.020318850000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.379543110000000,  0.348546460000000,  0.238680560000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.379806970000000,  0.651394440000000,  0.739108890000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.348509670000000,  0.109160440000000,  0.718803110000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.151252520000000,  0.890807140000000,  0.521634980000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    14.906956129999999,     0.000000000000000,     0.000782710000000 ] # a  - [     0.000000000000000,    10.542428170000001,     0.000000000000000 ] # b  - [    -7.451609140000000,     0.000000000000000,     7.453089390000000 ] # c  points:  - symbol: Dy # 1    coordinates: [  0.500000000000000,  0.967273710000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 2    coordinates: [  0.967220930000000,  0.749990790000000,  0.717236460000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.032779070000000,  0.749990790000000,  0.282763540000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.967190930000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 4  - symbol: Dy # 5    coordinates: [  0.000000000000000,  0.467273710000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 1  - symbol: Dy # 6    coordinates: [  0.467220930000000,  0.249990790000000,  0.717236460000000 ]    mass: 162.500000    reduced_to: 2  - symbol: Dy # 7    coordinates: [  0.532779070000000,  0.249990790000000,  0.282763540000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 8    coordinates: [  0.500000000000000,  0.467190930000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 4  - 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