# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18b541c6-b61e-413d-b20e-e10c07cb8457/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 YH7C4O11 / P4_2/n (86) / materials id 554793](https://mdr.nims.go.jp/datasets/76efa0b7-9205-4215-adb2-2c29a8bcd9a8)

## 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_2/n"  number: 86  Hall_symbol: "P 4n -1n"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.693021379999999,    -0.000000060000000,     0.000000000000000 ] # a  - [     0.000000060000000,     8.693021379999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.462273550000001 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.456004260000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.543995740000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.043995740000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.956004260000000 ]    mass: 88.905850  - symbol: H  # 5    coordinates: [  0.820574310000000,  0.926175410000000,  0.216107130000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.492192000000000,  0.301916570000000,  0.835659320000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.590647270000000,  0.011523120000000,  0.782261410000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.783886240000000 ]    mass: 1.007940  - symbol: H  # 9    coordinates: [  0.301916570000000,  0.507808000000000,  0.164340680000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.507808000000000,  0.698083430000000,  0.835659320000000 ]    mass: 1.007940  - symbol: H  # 11    coordinates: [  0.992192000000000,  0.801916570000000,  0.664340680000000 ]    mass: 1.007940  - symbol: H  # 12    coordinates: [  0.679425690000000,  0.573824590000000,  0.283892870000000 ]    mass: 1.007940  - symbol: H  # 13    coordinates: [  0.007808000000000,  0.198083430000000,  0.664340680000000 ]    mass: 1.007940  - symbol: H  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.216113760000000 ]    mass: 1.007940  - symbol: H  # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.716113760000000 ]    mass: 1.007940  - symbol: H  # 16    coordinates: [  0.090647270000000,  0.511523120000000,  0.717738590000000 ]    mass: 1.007940  - symbol: H  # 17    coordinates: [  0.926175410000000,  0.179425690000000,  0.783892870000000 ]    mass: 1.007940  - symbol: H  # 18    coordinates: [  0.320574310000000,  0.426175410000000,  0.283892870000000 ]    mass: 1.007940  - symbol: H  # 19    coordinates: [  0.179425690000000,  0.073824590000000,  0.216107130000000 ]    mass: 1.007940  - symbol: H  # 20    coordinates: [  0.988476880000000,  0.590647270000000,  0.217738590000000 ]    mass: 1.007940  - symbol: H  # 21    coordinates: [  0.573824590000000,  0.320574310000000,  0.716107130000000 ]    mass: 1.007940  - symbol: H  # 22    coordinates: [  0.198083430000000,  0.992192000000000,  0.335659320000000 ]    mass: 1.007940  - symbol: H  # 23    coordinates: [  0.909352730000000,  0.488476880000000,  0.717738590000000 ]    mass: 1.007940  - symbol: H  # 24    coordinates: [  0.801916570000000,  0.007808000000000,  0.335659320000000 ]    mass: 1.007940  - symbol: H  # 25    coordinates: [  0.011523120000000,  0.409352730000000,  0.217738590000000 ]    mass: 1.007940  - symbol: H  # 26    coordinates: [  0.073824590000000,  0.820574310000000,  0.783892870000000 ]    mass: 1.007940  - symbol: H  # 27    coordinates: [  0.409352730000000,  0.988476880000000,  0.782261410000000 ]    mass: 1.007940  - symbol: H  # 28    coordinates: [  0.426175410000000,  0.679425690000000,  0.716107130000000 ]    mass: 1.007940  - symbol: H  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.283886240000000 ]    mass: 1.007940  - symbol: H  # 30    coordinates: [  0.698083430000000,  0.492192000000000,  0.164340680000000 ]    mass: 1.007940  - symbol: H  # 31    coordinates: [  0.511523120000000,  0.909352730000000,  0.282261410000000 ]    mass: 1.007940  - symbol: H  # 32    coordinates: [  0.488476880000000,  0.090647270000000,  0.282261410000000 ]    mass: 1.007940  - symbol: C  # 33    coordinates: [  0.773955270000000,  0.201725470000000,  0.943954690000000 ]    mass: 12.010700  - symbol: C  # 34    coordinates: [  0.726566820000000,  0.282511380000000,  0.048151330000000 ]    mass: 12.010700  - symbol: C  # 35    coordinates: [  0.701725470000000,  0.726044730000000,  0.443954690000000 ]    mass: 12.010700  - symbol: C  # 36    coordinates: [  0.298274530000000,  0.273955270000000,  0.443954690000000 ]    mass: 12.010700  - symbol: C  # 37    coordinates: [  0.226044730000000,  0.798274530000000,  0.943954690000000 ]    mass: 12.010700  - symbol: C  # 38    coordinates: [  0.717488620000000,  0.726566820000000,  0.951848670000000 ]    mass: 12.010700  - symbol: C  # 39    coordinates: [  0.726044730000000,  0.298274530000000,  0.556045310000000 ]    mass: 12.010700  - symbol: C  # 40    coordinates: [  0.217488620000000,  0.226566820000000,  0.548151330000000 ]    mass: 12.010700  - symbol: C  # 41    coordinates: [  0.226566820000000,  0.782511380000000,  0.451848670000000 ]    mass: 12.010700  - symbol: C  # 42    coordinates: [  0.782511380000000,  0.773433180000000,  0.548151330000000 ]    mass: 12.010700  - symbol: C  # 43    coordinates: [  0.273433180000000,  0.717488620000000,  0.048151330000000 ]    mass: 12.010700  - symbol: C  # 44    coordinates: [  0.201725470000000,  0.226044730000000,  0.056045310000000 ]    mass: 12.010700  - symbol: C  # 45    coordinates: [  0.798274530000000,  0.773955270000000,  0.056045310000000 ]    mass: 12.010700  - symbol: C  # 46    coordinates: [  0.773433180000000,  0.217488620000000,  0.451848670000000 ]    mass: 12.010700  - symbol: C  # 47    coordinates: [  0.273955270000000,  0.701725470000000,  0.556045310000000 ]    mass: 12.010700  - symbol: C  # 48    coordinates: [  0.282511380000000,  0.273433180000000,  0.951848670000000 ]    mass: 12.010700  - symbol: O  # 49    coordinates: [  0.125442380000000,  0.719625670000000,  0.395148380000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.780374330000000,  0.625442380000000,  0.895148380000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.090176640000000,  0.292443160000000,  0.568252480000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.372476320000000,  0.445567670000000,  0.212084020000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.235540390000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.409823360000000,  0.207556840000000,  0.931747520000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.707556840000000,  0.090176640000000,  0.431747520000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.792443160000000,  0.409823360000000,  0.068252480000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.500000000000000,  0.000000000000000,  0.735540390000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.415859790000000,  0.198493670000000,  0.417418990000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.874557620000000,  0.280374330000000,  0.395148380000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.084140210000000,  0.301506330000000,  0.082581010000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.219625670000000,  0.374557620000000,  0.895148380000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.113962020000000,  0.738544170000000,  0.893581790000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.000000000000000,  0.500000000000000,  0.764459610000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.207556840000000,  0.590176640000000,  0.068252480000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.261455830000000,  0.113962020000000,  0.106418210000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.000000000000000,  0.500000000000000,  0.264459610000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.386037980000000,  0.761455830000000,  0.606418210000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.554432330000000,  0.372476320000000,  0.787915980000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.886037980000000,  0.261455830000000,  0.893581790000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.374557620000000,  0.780374330000000,  0.104851620000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.761455830000000,  0.613962020000000,  0.393581790000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.301506330000000,  0.915859790000000,  0.917418990000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.801506330000000,  0.415859790000000,  0.582581010000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.127523680000000,  0.054432330000000,  0.287915980000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.590176640000000,  0.792443160000000,  0.931747520000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.584140210000000,  0.801506330000000,  0.417418990000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.445567670000000,  0.627523680000000,  0.787915980000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.613962020000000,  0.238544170000000,  0.606418210000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.719625670000000,  0.874557620000000,  0.604851620000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.738544170000000,  0.886037980000000,  0.106418210000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.280374330000000,  0.125442380000000,  0.604851620000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.054432330000000,  0.872476320000000,  0.712084020000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.909823360000000,  0.707556840000000,  0.568252480000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.698493670000000,  0.084140210000000,  0.917418990000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.625442380000000,  0.219625670000000,  0.104851620000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.238544170000000,  0.386037980000000,  0.393581790000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.945567670000000,  0.127523680000000,  0.712084020000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.292443160000000,  0.909823360000000,  0.431747520000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.198493670000000,  0.584140210000000,  0.582581010000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.915859790000000,  0.698493670000000,  0.082581010000000 ]    mass: 15.999400  - symbol: O  # 91    coordinates: [  0.872476320000000,  0.945567670000000,  0.287915980000000 ]    mass: 15.999400  - symbol: O  # 92    coordinates: [  0.627523680000000,  0.554432330000000,  0.212084020000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.115034802778778,    -0.000000000793980,     0.000000000000000 ] # a*  - [     0.000000000793980,     0.115034802778778,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.080242180207961 ] # c*unit_cell:  lattice:  - [     8.693021379999999,    -0.000000060000000,     0.000000000000000 ] # a  - [     0.000000060000000,     8.693021379999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.462273550000001 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.456004260000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.543995740000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.043995740000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.956004260000000 ]    mass: 88.905850    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.820574310000000,  0.926175410000000,  0.216107130000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.492192000000000,  0.301916570000000,  0.835659320000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.590647270000000,  0.011523120000000,  0.782261410000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.783886240000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.301916570000000,  0.507808000000000,  0.164340680000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.507808000000000,  0.698083430000000,  0.835659320000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.992192000000000,  0.801916570000000,  0.664340680000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.679425690000000,  0.573824590000000,  0.283892870000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 13    coordinates: [  0.007808000000000,  0.198083430000000,  0.664340680000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.216113760000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.716113760000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.090647270000000,  0.511523120000000,  0.717738590000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.926175410000000,  0.179425690000000,  0.783892870000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.320574310000000,  0.426175410000000,  0.283892870000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 19    coordinates: [  0.179425690000000,  0.073824590000000,  0.216107130000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.988476880000000,  0.590647270000000,  0.217738590000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 21    coordinates: [  0.573824590000000,  0.320574310000000,  0.716107130000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.198083430000000,  0.992192000000000,  0.335659320000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 23    coordinates: [  0.909352730000000,  0.488476880000000,  0.717738590000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.801916570000000,  0.007808000000000,  0.335659320000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 25    coordinates: [  0.011523120000000,  0.409352730000000,  0.217738590000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.073824590000000,  0.820574310000000,  0.783892870000000 ]    mass: 1.007940    reduced_to: 26  - symbol: H  # 27    coordinates: [  0.409352730000000,  0.988476880000000,  0.782261410000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 28    coordinates: [  0.426175410000000,  0.679425690000000,  0.716107130000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.283886240000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 30    coordinates: [  0.698083430000000,  0.492192000000000,  0.164340680000000 ]    mass: 1.007940    reduced_to: 30  - symbol: H  # 31    coordinates: [  0.511523120000000,  0.909352730000000,  0.282261410000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 32    coordinates: [  0.488476880000000,  0.090647270000000,  0.282261410000000 ]    mass: 1.007940    reduced_to: 32  - symbol: C  # 33    coordinates: [  0.773955270000000,  0.201725470000000,  0.943954690000000 ]    mass: 12.010700    reduced_to: 33  - symbol: C  # 34    coordinates: [  0.726566820000000,  0.282511380000000,  0.048151330000000 ]    mass: 12.010700    reduced_to: 34  - symbol: C  # 35    coordinates: [  0.701725470000000,  0.726044730000000,  0.443954690000000 ]    mass: 12.010700    reduced_to: 35  - symbol: C  # 36    coordinates: [  0.298274530000000,  0.273955270000000,  0.443954690000000 ]    mass: 12.010700    reduced_to: 36  - symbol: C  # 37    coordinates: [  0.226044730000000,  0.798274530000000,  0.943954690000000 ]    mass: 12.010700    reduced_to: 37  - symbol: C  # 38    coordinates: [  0.717488620000000,  0.726566820000000,  0.951848670000000 ]    mass: 12.010700    reduced_to: 38  - symbol: C  # 39    coordinates: [  0.726044730000000,  0.298274530000000,  0.556045310000000 ]    mass: 12.010700    reduced_to: 39  - symbol: C  # 40    coordinates: [  0.217488620000000,  0.226566820000000,  0.548151330000000 ]    mass: 12.010700    reduced_to: 40  - symbol: C  # 41    coordinates: [  0.226566820000000,  0.782511380000000,  0.451848670000000 ]    mass: 12.010700    reduced_to: 41  - symbol: C  # 42    coordinates: [  0.782511380000000,  0.773433180000000,  0.548151330000000 ]    mass: 12.010700    reduced_to: 42  - symbol: C  # 43    coordinates: [  0.273433180000000,  0.717488620000000,  0.048151330000000 ]    mass: 12.010700    reduced_to: 43  - symbol: C  # 44    coordinates: [  0.201725470000000,  0.226044730000000,  0.056045310000000 ]    mass: 12.010700    reduced_to: 44  - symbol: C  # 45    coordinates: [  0.798274530000000,  0.773955270000000,  0.056045310000000 ]    mass: 12.010700    reduced_to: 45  - symbol: C  # 46    coordinates: [  0.773433180000000,  0.217488620000000,  0.451848670000000 ]    mass: 12.010700    reduced_to: 46  - symbol: C  # 47    coordinates: [  0.273955270000000,  0.701725470000000,  0.556045310000000 ]    mass: 12.010700    reduced_to: 47  - symbol: C  # 48    coordinates: [  0.282511380000000,  0.273433180000000,  0.951848670000000 ]    mass: 12.010700    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.125442380000000,  0.719625670000000,  0.395148380000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.780374330000000,  0.625442380000000,  0.895148380000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.090176640000000,  0.292443160000000,  0.568252480000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.372476320000000,  0.445567670000000,  0.212084020000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.235540390000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.409823360000000,  0.207556840000000,  0.931747520000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.707556840000000,  0.090176640000000,  0.431747520000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.792443160000000,  0.409823360000000,  0.068252480000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.500000000000000,  0.000000000000000,  0.735540390000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.415859790000000,  0.198493670000000,  0.417418990000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.874557620000000,  0.280374330000000,  0.395148380000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.084140210000000,  0.301506330000000,  0.082581010000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.219625670000000,  0.374557620000000,  0.895148380000000 ]    mass: 15.999400    reduced_to: 61  - 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