# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d3afa569-4b60-4e66-b16f-5eb7e07c39e5/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 Y5Tm11O24 / C2 (5) / materials id 759638](https://mdr.nims.go.jp/datasets/abdf8438-79d2-4b21-97b1-31877326e1fe)

## 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:  - [     7.364334425000000,    -5.205054665000000,     0.000015965000000 ] # a  - [     7.364334425000000,     5.205054665000000,     0.000015965000000 ] # b  - [    -7.363925700000000,     0.000000000000000,     7.357079430000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.500822060000000,  0.999912560000000,  0.250205410000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.031794040000000,  0.968205960000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.498551660000000,  0.000061100000000,  0.749905040000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.999938900000000,  0.501448340000000,  0.250094960000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.000087440000000,  0.499177940000000,  0.749794590000000 ]    mass: 88.905850  - symbol: Tm # 6    coordinates: [  0.283419160000000,  0.782575460000000,  0.283287580000000 ]    mass: 168.934210  - symbol: Tm # 7    coordinates: [  0.217424540000000,  0.716580840000000,  0.716712420000000 ]    mass: 168.934210  - symbol: Tm # 8    coordinates: [  0.250418020000000,  0.250199240000000,  0.533241700000000 ]    mass: 168.934210  - symbol: Tm # 9    coordinates: [  0.250241290000000,  0.250891930000000,  0.032716330000000 ]    mass: 168.934210  - symbol: Tm # 10    coordinates: [  0.467326520000000,  0.532673480000000,  0.500000000000000 ]    mass: 168.934210  - symbol: Tm # 11    coordinates: [  0.532671640000000,  0.467328360000000,  0.000000000000000 ]    mass: 168.934210  - symbol: Tm # 12    coordinates: [  0.749108070000000,  0.749758710000000,  0.967283670000000 ]    mass: 168.934210  - symbol: Tm # 13    coordinates: [  0.749800760000000,  0.749581980000000,  0.466758300000000 ]    mass: 168.934210  - symbol: Tm # 14    coordinates: [  0.716952300000000,  0.218108020000000,  0.218029200000000 ]    mass: 168.934210  - symbol: Tm # 15    coordinates: [  0.781891980000000,  0.283047700000000,  0.781970800000000 ]    mass: 168.934210  - symbol: Tm # 16    coordinates: [  0.967476360000000,  0.032523640000000,  0.500000000000000 ]    mass: 168.934210  - symbol: O  # 17    coordinates: [  0.241585590000000,  0.456797210000000,  0.479452280000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.261430020000000,  0.042796020000000,  0.283664320000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.730432930000000,  0.030550790000000,  0.522940040000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.030332870000000,  0.728205830000000,  0.023354070000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.530992680000000,  0.229747160000000,  0.738369890000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.230989980000000,  0.531233440000000,  0.238995900000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.957203980000000,  0.738569980000000,  0.716335680000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.543202790000000,  0.758414410000000,  0.520547720000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.272953960000000,  0.511873660000000,  0.792857940000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.226930170000000,  0.987982370000000,  0.507891760000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.988005870000000,  0.230419310000000,  0.008046080000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.512005150000000,  0.272869210000000,  0.292962160000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.769580690000000,  0.011994130000000,  0.991953920000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.012017630000000,  0.773069830000000,  0.492108240000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.727130790000000,  0.487994850000000,  0.707037840000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.488126340000000,  0.727046040000000,  0.207142060000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.456927080000000,  0.242941740000000,  0.980367220000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.042593300000000,  0.257724840000000,  0.780364130000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.770252840000000,  0.469007320000000,  0.261630110000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.468766560000000,  0.769010020000000,  0.761004100000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.969449210000000,  0.269567070000000,  0.477059960000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.271794170000000,  0.969667130000000,  0.976645930000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.757058260000000,  0.543072920000000,  0.019632780000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.742275160000000,  0.957406700000000,  0.219635870000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.067894650921318,    -0.096060470481149,     0.067957831578287 ] # a*  - [     0.067894650921318,     0.096060470481149,     0.067957831578287 ] # b*  - [    -0.000000294665325,     0.000000000000000,     0.135923206976500 ] # c*unit_cell:  lattice:  - [    14.728668850000000,     0.000000000000000,     0.000031930000000 ] # a  - [     0.000000000000000,    10.410109329999999,     0.000000000000000 ] # b  - [    -7.363925700000000,     0.000000000000000,     7.357079430000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.250367310000000,  0.749545250000000,  0.250205410000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.000000000000000,  0.968205960000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.749306380000000,  0.250754720000000,  0.749905040000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.750693620000000,  0.750754720000000,  0.250094960000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.749632690000000,  0.749545250000000,  0.749794590000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.750367310000000,  0.249545250000000,  0.250205410000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 7    coordinates: [  0.500000000000000,  0.468205960000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 8    coordinates: [  0.249306380000000,  0.750754720000000,  0.749905040000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 9    coordinates: [  0.250693620000000,  0.250754720000000,  0.250094960000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 10    coordinates: [  0.249632690000000,  0.249545250000000,  0.749794590000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Tm # 11    coordinates: [  0.032997310000000,  0.749578150000000,  0.283287580000000 ]    mass: 168.934210    reduced_to: 11  - symbol: Tm # 12    coordinates: [  0.967002690000000,  0.749578150000000,  0.716712420000000 ]    mass: 168.934210    reduced_to: 12  - symbol: Tm # 13    coordinates: [  0.750308630000000,  0.499890610000000,  0.533241700000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 14    coordinates: [  0.250566610000000,  0.000325320000000,  0.032716330000000 ]    mass: 168.934210    reduced_to: 14  - symbol: Tm # 15    coordinates: [  0.500000000000000,  0.032673480000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 15  - symbol: Tm # 16    coordinates: [  0.000000000000000,  0.467328360000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 16  - symbol: Tm # 17    coordinates: [  0.749433390000000,  0.000325320000000,  0.967283670000000 ]    mass: 168.934210    reduced_to: 17  - symbol: Tm # 18    coordinates: [  0.249691370000000,  0.499890610000000,  0.466758300000000 ]    mass: 168.934210    reduced_to: 18  - symbol: Tm # 19    coordinates: [  0.467530160000000,  0.750577860000000,  0.218029200000000 ]    mass: 168.934210    reduced_to: 19  - symbol: Tm # 20    coordinates: [  0.532469840000000,  0.750577860000000,  0.781970800000000 ]    mass: 168.934210    reduced_to: 20  - symbol: Tm # 21    coordinates: [  0.500000000000000,  0.532523640000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 21  - symbol: Tm # 22    coordinates: [  0.532997310000000,  0.249578150000000,  0.283287580000000 ]    mass: 168.934210    reduced_to: 11  - symbol: Tm # 23    coordinates: [  0.467002690000000,  0.249578150000000,  0.716712420000000 ]    mass: 168.934210    reduced_to: 12  - symbol: Tm # 24    coordinates: [  0.250308630000000,  0.999890610000000,  0.533241700000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 25    coordinates: [  0.750566610000000,  0.500325320000000,  0.032716330000000 ]    mass: 168.934210    reduced_to: 14  - symbol: Tm # 26    coordinates: [  0.000000000000000,  0.532673480000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 15  - symbol: Tm # 27    coordinates: [  0.500000000000000,  0.967328360000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 16  - symbol: Tm # 28    coordinates: [  0.249433390000000,  0.500325320000000,  0.967283670000000 ]    mass: 168.934210    reduced_to: 17  - symbol: Tm # 29    coordinates: [  0.749691370000000,  0.999890610000000,  0.466758300000000 ]    mass: 168.934210    reduced_to: 18  - symbol: Tm # 30    coordinates: [  0.967530160000000,  0.250577860000000,  0.218029200000000 ]    mass: 168.934210    reduced_to: 19  - symbol: Tm # 31    coordinates: [  0.032469840000000,  0.250577860000000,  0.781970800000000 ]    mass: 168.934210    reduced_to: 20  - symbol: Tm # 32    coordinates: [  0.000000000000000,  0.032523640000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 21  - symbol: O  # 33    coordinates: [  0.849191400000000,  0.607605810000000,  0.479452280000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.652113020000000,  0.390683000000000,  0.283664320000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.880491860000000,  0.150058930000000,  0.522940040000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.879269350000000,  0.848936480000000,  0.023354070000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.880369920000000,  0.349377240000000,  0.738369890000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.881111710000000,  0.650121730000000,  0.238995900000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.847886980000000,  0.890683000000000,  0.716335680000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.650808600000000,  0.107605810000000,  0.520547720000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.892413810000000,  0.619459850000000,  0.792857940000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.107456270000000,  0.880526100000000,  0.507891760000000 ]    mass: 15.999400    reduced_to: 42  - 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symbol: O  # 67    coordinates: [  0.109212590000000,  0.121206720000000,  0.008046080000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.892437180000000,  0.380432030000000,  0.292962160000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.890787410000000,  0.121206720000000,  0.991953920000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.392543730000000,  0.380526100000000,  0.492108240000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.107562820000000,  0.380432030000000,  0.707037840000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.607586190000000,  0.119459850000000,  0.207142060000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.349934410000000,  0.893007330000000,  0.980367220000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.150159070000000,  0.107565770000000,  0.780364130000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.119630080000000,  0.349377240000000,  0.261630110000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.118888290000000,  0.650121730000000,  0.761004100000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.119508140000000,  0.150058930000000,  0.477059960000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.120730650000000,  0.848936480000000,  0.976645930000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.150065590000000,  0.393007330000000,  0.019632780000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.349840930000000,  0.607565770000000,  0.219635870000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    14.728668850000000,     0.000000000000000,     0.000031930000000 ] # a  - [     0.000000000000000,    10.410109329999999,     0.000000000000000 ] # b  - [    -7.363925700000000,     0.000000000000000,     7.357079430000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.250367310000000,  0.749545250000000,  0.250205410000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.000000000000000,  0.968205960000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.749306380000000,  0.250754720000000,  0.749905040000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.750693620000000,  0.750754720000000,  0.250094960000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.749632690000000,  0.749545250000000,  0.749794590000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.750367310000000,  0.249545250000000,  0.250205410000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 7    coordinates: [  0.500000000000000,  0.468205960000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 8    coordinates: [  0.249306380000000,  0.750754720000000,  0.749905040000000 ]    mass: 88.905850    reduced_to: 3  - 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