# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/72d41b02-7562-4b65-a3e7-c9900577f68c/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 Y15TmO24 / C2 (5) / materials id 757001](https://mdr.nims.go.jp/datasets/cfd310cd-d466-42dd-ad84-966befa3d102)

## 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:  - [     7.449314875000000,    -5.264273830000000,    -0.000265165000000 ] # a  - [     7.449314875000000,     5.264273830000000,    -0.000265165000000 ] # b  - [    -7.447598910000000,     0.000000000000000,     7.442193300000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.000294140000000,  0.999417620000000,  0.749447170000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.782761960000000,  0.217238040000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.748918610000000,  0.750068510000000,  0.782261480000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.249931490000000,  0.251081390000000,  0.217738520000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.532430720000000,  0.032204860000000,  0.532614100000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.032787250000000,  0.533469950000000,  0.033699750000000 ]    mass: 88.905850  - symbol: Y  # 7    coordinates: [  0.000582380000000,  0.999705860000000,  0.250552830000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.717418440000000,  0.282581560000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.499834670000000,  0.501255210000000,  0.251192930000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.282582670000000,  0.717417330000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.498744790000000,  0.500165330000000,  0.748807070000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.967795140000000,  0.467569280000000,  0.467385900000000 ]    mass: 88.905850  - symbol: Y  # 13    coordinates: [  0.466530050000000,  0.967212750000000,  0.966300250000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.250150100000000,  0.249291520000000,  0.717454450000000 ]    mass: 88.905850  - symbol: Y  # 15    coordinates: [  0.750708480000000,  0.749849900000000,  0.282545550000000 ]    mass: 88.905850  - symbol: Tm # 16    coordinates: [  0.216564310000000,  0.783435690000000,  0.500000000000000 ]    mass: 168.934210  - symbol: O  # 17    coordinates: [  0.769856090000000,  0.489596770000000,  0.781467590000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.989208290000000,  0.270661550000000,  0.978222780000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.238326430000000,  0.039828410000000,  0.758153230000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.042505810000000,  0.238888990000000,  0.261050220000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.457660460000000,  0.260111340000000,  0.479101010000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.260682040000000,  0.457305660000000,  0.979937010000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.510403230000000,  0.230143910000000,  0.218532410000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.729338450000000,  0.010791710000000,  0.021777220000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.031036970000000,  0.771612830000000,  0.010649680000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.531045690000000,  0.271743990000000,  0.792019550000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.271582810000000,  0.534361590000000,  0.295288380000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.771748990000000,  0.030978870000000,  0.510606140000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.728256010000000,  0.468954310000000,  0.207980450000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.969021130000000,  0.228251010000000,  0.489393860000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.465638410000000,  0.728417190000000,  0.704711620000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.228387170000000,  0.968963030000000,  0.989350320000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.489132300000000,  0.770634340000000,  0.280928000000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.271096260000000,  0.986192980000000,  0.478969080000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.739888660000000,  0.542339540000000,  0.520898990000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.542694340000000,  0.739317960000000,  0.020062990000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.761111010000000,  0.957494190000000,  0.738949780000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.960171590000000,  0.761673570000000,  0.241846770000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.229365660000000,  0.510867700000000,  0.719072000000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.013807020000000,  0.728903740000000,  0.521030920000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.067122657572913,    -0.094979861638391,     0.067171411870789 ] # a*  - [     0.067122657572913,     0.094979861638391,     0.067171411870789 ] # b*  - [     0.000004783154314,     0.000000000000000,     0.134373777017436 ] # c*unit_cell:  lattice:  - [    14.898629750000000,     0.000000000000000,    -0.000530330000000 ] # a  - [     0.000000000000000,    10.528547659999999,     0.000000000000000 ] # b  - [    -7.447598910000000,     0.000000000000000,     7.442193300000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.999855880000000,  0.999561740000000,  0.749447170000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.000000000000000,  0.217238040000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.749493560000000,  0.000574950000000,  0.782261480000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.250506440000000,  0.000574950000000,  0.217738520000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.282317790000000,  0.749887070000000,  0.532614100000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.783128600000000,  0.750341350000000,  0.033699750000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.000144120000000,  0.999561740000000,  0.250552830000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.500000000000000,  0.782581560000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 9    coordinates: [  0.000544940000000,  0.500710270000000,  0.251192930000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.500000000000000,  0.217417330000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.499455060000000,  0.000710270000000,  0.748807070000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.217682210000000,  0.249887070000000,  0.467385900000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 13    coordinates: [  0.716871400000000,  0.250341350000000,  0.966300250000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.249720810000000,  0.999570710000000,  0.717454450000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.750279190000000,  0.999570710000000,  0.282545550000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 16    coordinates: [  0.499855880000000,  0.499561740000000,  0.749447170000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 17    coordinates: [  0.500000000000000,  0.717238040000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 18    coordinates: [  0.249493560000000,  0.500574950000000,  0.782261480000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 19    coordinates: [  0.750506440000000,  0.500574950000000,  0.217738520000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 20    coordinates: [  0.782317790000000,  0.249887070000000,  0.532614100000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 21    coordinates: [  0.283128600000000,  0.250341350000000,  0.033699750000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 22    coordinates: [  0.500144120000000,  0.499561740000000,  0.250552830000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 23    coordinates: [  0.000000000000000,  0.282581560000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 24    coordinates: [  0.500544940000000,  0.000710270000000,  0.251192930000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 25    coordinates: [  0.000000000000000,  0.717417330000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 26    coordinates: [  0.999455060000000,  0.500710270000000,  0.748807070000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 27    coordinates: [  0.717682210000000,  0.749887070000000,  0.467385900000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 28    coordinates: [  0.216871400000000,  0.750341350000000,  0.966300250000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 29    coordinates: [  0.749720810000000,  0.499570710000000,  0.717454450000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 30    coordinates: [  0.250279190000000,  0.499570710000000,  0.282545550000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Tm # 31    coordinates: [  0.000000000000000,  0.783435690000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 31  - symbol: Tm # 32    coordinates: [  0.500000000000000,  0.283435690000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.629726430000000,  0.859870340000000,  0.781467590000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.629934920000000,  0.640726630000000,  0.978222780000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.639077420000000,  0.400750990000000,  0.758153230000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.140697400000000,  0.098191590000000,  0.261050220000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.358885900000000,  0.901225440000000,  0.479101010000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.858993850000000,  0.598311810000000,  0.979937010000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.370273570000000,  0.859870340000000,  0.218532410000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.370065080000000,  0.640726630000000,  0.021777220000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.401324900000000,  0.370287930000000,  0.010649680000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.401394840000000,  0.870349150000000,  0.792019550000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.402972200000000,  0.131389390000000,  0.295288380000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.401363930000000,  0.629614940000000,  0.510606140000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.598605160000000,  0.870349150000000,  0.207980450000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.598636070000000,  0.629614940000000,  0.489393860000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.597027800000000,  0.131389390000000,  0.704711620000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.598675100000000,  0.370287930000000,  0.989350320000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.629883320000000,  0.140751020000000,  0.280928000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.628644620000000,  0.357548360000000,  0.478969080000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.141114100000000,  0.401225440000000,  0.520898990000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.641006150000000,  0.098311810000000,  0.020062990000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.359302600000000,  0.598191590000000,  0.738949780000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.860922580000000,  0.900750990000000,  0.241846770000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.370116680000000,  0.140751020000000,  0.719072000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.371355380000000,  0.357548360000000,  0.521030920000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.129726430000000,  0.359870340000000,  0.781467590000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.129934920000000,  0.140726630000000,  0.978222780000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.139077420000000,  0.900750990000000,  0.758153230000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.640697400000000,  0.598191590000000,  0.261050220000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.858885900000000,  0.401225440000000,  0.479101010000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.358993850000000,  0.098311810000000,  0.979937010000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.870273570000000,  0.359870340000000,  0.218532410000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.870065080000000,  0.140726630000000,  0.021777220000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.901324900000000,  0.870287930000000,  0.010649680000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.901394840000000,  0.370349150000000,  0.792019550000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.902972200000000,  0.631389390000000,  0.295288380000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.901363930000000,  0.129614940000000,  0.510606140000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.098605160000000,  0.370349150000000,  0.207980450000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.098636070000000,  0.129614940000000,  0.489393860000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.097027800000000,  0.631389390000000,  0.704711620000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.098675100000000,  0.870287930000000,  0.989350320000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.129883320000000,  0.640751020000000,  0.280928000000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.128644620000000,  0.857548360000000,  0.478969080000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.641114100000000,  0.901225440000000,  0.520898990000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.141006150000000,  0.598311810000000,  0.020062990000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.859302600000000,  0.098191590000000,  0.738949780000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.360922580000000,  0.400750990000000,  0.241846770000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.870116680000000,  0.640751020000000,  0.719072000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.871355380000000,  0.857548360000000,  0.521030920000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    14.898629750000000,     0.000000000000000,    -0.000530330000000 ] # a  - [     0.000000000000000,    10.528547659999999,     0.000000000000000 ] # b  - [    -7.447598910000000,     0.000000000000000,     7.442193300000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.999855880000000,  0.999561740000000,  0.749447170000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.000000000000000,  0.217238040000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.749493560000000,  0.000574950000000,  0.782261480000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.250506440000000,  0.000574950000000,  0.217738520000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.282317790000000,  0.749887070000000,  0.532614100000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.783128600000000,  0.750341350000000,  0.033699750000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.000144120000000,  0.999561740000000,  0.250552830000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.500000000000000,  0.782581560000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 8  - 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