# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/44dfb438-424b-4fe6-8ad6-9f2a673905c0/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 SmY15O24 / C2 (5) / materials id 757791](https://mdr.nims.go.jp/datasets/32ec9b52-07b3-41d9-9fd5-0240dd48f4a6)

## 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:  - [     7.458004810000000,    -5.282713330000000,    -0.000146905000000 ] # a  - [     7.458004810000000,     5.282713330000000,    -0.000146905000000 ] # b  - [    -7.455696150000000,     0.000000000000000,     7.476363790000000 ] # c  points:  - symbol: Sm # 1    coordinates: [  0.031600130000000,  0.968399870000000,  0.500000000000000 ]    mass: 150.360000  - symbol: Y  # 2    coordinates: [  0.967450390000000,  0.032549610000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.501530170000000,  0.999804350000000,  0.751028560000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.781516890000000,  0.283681910000000,  0.783496980000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.716318090000000,  0.218483110000000,  0.216503020000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.748430200000000,  0.749667060000000,  0.031009710000000 ]    mass: 88.905850  - symbol: Y  # 7    coordinates: [  0.749871570000000,  0.749428550000000,  0.532912340000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.000195650000000,  0.498469830000000,  0.248971440000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.497689710000000,  0.000172350000000,  0.247951480000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.999827650000000,  0.502310290000000,  0.752048520000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.532922810000000,  0.467077190000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.467117800000000,  0.532882200000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 13    coordinates: [  0.250571450000000,  0.250128430000000,  0.467087660000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.250332940000000,  0.251569800000000,  0.968990290000000 ]    mass: 88.905850  - symbol: Y  # 15    coordinates: [  0.284252280000000,  0.782490000000000,  0.282876960000000 ]    mass: 88.905850  - symbol: Y  # 16    coordinates: [  0.217510000000000,  0.715747720000000,  0.717123040000000 ]    mass: 88.905850  - symbol: O  # 17    coordinates: [  0.759086540000000,  0.542961300000000,  0.780858590000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.739549270000000,  0.958208150000000,  0.978309100000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.274925700000000,  0.969628380000000,  0.766071110000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.969119050000000,  0.270873350000000,  0.260764740000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.772249720000000,  0.468399180000000,  0.480194220000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.467829460000000,  0.770056560000000,  0.978760860000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.457038700000000,  0.240913460000000,  0.219141410000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.041791850000000,  0.260450730000000,  0.021690900000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.011014160000000,  0.770953980000000,  0.792489500000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.764632210000000,  0.011238510000000,  0.286737710000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.729413430000000,  0.489140250000000,  0.011147630000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.489516790000000,  0.729282010000000,  0.511071880000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.229046020000000,  0.988985840000000,  0.207510500000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.270717990000000,  0.510483210000000,  0.488928120000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.988761490000000,  0.235367790000000,  0.713262290000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.510859750000000,  0.270586570000000,  0.988852370000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.543185040000000,  0.761592840000000,  0.281932680000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.958318620000000,  0.733646220000000,  0.477397780000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.531600820000000,  0.227750280000000,  0.519805780000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.229943440000000,  0.532170540000000,  0.021239140000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.030371620000000,  0.725074300000000,  0.233928890000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.729126650000000,  0.030880950000000,  0.739235260000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.238407160000000,  0.456814960000000,  0.718067320000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.266353780000000,  0.041681380000000,  0.522602220000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.067043376146683,    -0.094648331031054,     0.066858041617559 ] # a*  - [     0.067043376146683,     0.094648331031054,     0.066858041617559 ] # b*  - [     0.000002634705172,     0.000000000000000,     0.133757488486419 ] # c*unit_cell:  lattice:  - [    14.916009620000001,     0.000000000000000,    -0.000293810000000 ] # a  - [     0.000000000000000,    10.565426660000000,     0.000000000000000 ] # b  - [    -7.455696150000000,     0.000000000000000,     7.476363790000000 ] # c  points:  - symbol: Sm # 1    coordinates: [  0.000000000000000,  0.968399870000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 2    coordinates: [  0.500000000000000,  0.468399870000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.532549610000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.250667260000000,  0.749137090000000,  0.751028560000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.032599400000000,  0.251082510000000,  0.783496980000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.467400600000000,  0.751082510000000,  0.216503020000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.249048630000000,  0.500618430000000,  0.031009710000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.749650060000000,  0.999778490000000,  0.532912340000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 9    coordinates: [  0.749332740000000,  0.749137090000000,  0.248971440000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.248931030000000,  0.751241320000000,  0.247951480000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.251068970000000,  0.251241320000000,  0.752048520000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.500000000000000,  0.967077190000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 13    coordinates: [  0.000000000000000,  0.532882200000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.250349940000000,  0.999778490000000,  0.467087660000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.750951370000000,  0.500618430000000,  0.968990290000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 16    coordinates: [  0.033371140000000,  0.749118860000000,  0.282876960000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 17    coordinates: [  0.466628860000000,  0.249118860000000,  0.717123040000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 18    coordinates: [  0.000000000000000,  0.032549610000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 19    coordinates: [  0.750667260000000,  0.249137090000000,  0.751028560000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 20    coordinates: [  0.532599400000000,  0.751082510000000,  0.783496980000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 21    coordinates: [  0.967400600000000,  0.251082510000000,  0.216503020000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 22    coordinates: [  0.749048630000000,  0.000618430000000,  0.031009710000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 23    coordinates: [  0.249650060000000,  0.499778490000000,  0.532912340000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 24    coordinates: [  0.249332740000000,  0.249137090000000,  0.248971440000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 25    coordinates: [  0.748931030000000,  0.251241320000000,  0.247951480000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 26    coordinates: [  0.751068970000000,  0.751241320000000,  0.752048520000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 27    coordinates: [  0.000000000000000,  0.467077190000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 28    coordinates: [  0.500000000000000,  0.032882200000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 29    coordinates: [  0.750349940000000,  0.499778490000000,  0.467087660000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 30    coordinates: [  0.250951370000000,  0.000618430000000,  0.968990290000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 31    coordinates: [  0.533371140000000,  0.249118860000000,  0.282876960000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 32    coordinates: [  0.966628860000000,  0.749118860000000,  0.717123040000000 ]    mass: 88.905850    reduced_to: 17  - symbol: O  # 33    coordinates: [  0.151023920000000,  0.391937380000000,  0.780858590000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.348878710000000,  0.609329440000000,  0.978309100000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.122277040000000,  0.847351340000000,  0.766071110000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.619996200000000,  0.650877150000000,  0.260764740000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.620324450000000,  0.848074730000000,  0.480194220000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.118943010000000,  0.651113550000000,  0.978760860000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.348976080000000,  0.891937380000000,  0.219141410000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.151121290000000,  0.109329440000000,  0.021690900000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.890984070000000,  0.879969910000000,  0.792489500000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.387935360000000,  0.623303150000000,  0.286737710000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.109276840000000,  0.379863410000000,  0.011147630000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.609399400000000,  0.119882610000000,  0.511071880000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.109015930000000,  0.879969910000000,  0.207510500000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.390600600000000,  0.119882610000000,  0.488928120000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.612064640000000,  0.623303150000000,  0.713262290000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.890723160000000,  0.379863410000000,  0.988852370000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.152388940000000,  0.609203900000000,  0.281932680000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.345982420000000,  0.387663800000000,  0.477397780000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.379675550000000,  0.848074730000000,  0.519805780000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.881056990000000,  0.651113550000000,  0.021239140000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.877722960000000,  0.847351340000000,  0.233928890000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.380003800000000,  0.650877150000000,  0.739235260000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.347611060000000,  0.109203900000000,  0.718067320000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.154017580000000,  0.887663800000000,  0.522602220000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.651023920000000,  0.891937380000000,  0.780858590000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.848878710000000,  0.109329440000000,  0.978309100000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.622277040000000,  0.347351340000000,  0.766071110000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.119996200000000,  0.150877150000000,  0.260764740000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.120324450000000,  0.348074730000000,  0.480194220000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.618943010000000,  0.151113550000000,  0.978760860000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.848976080000000,  0.391937380000000,  0.219141410000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.651121290000000,  0.609329440000000,  0.021690900000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.390984070000000,  0.379969910000000,  0.792489500000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.887935360000000,  0.123303150000000,  0.286737710000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.609276840000000,  0.879863410000000,  0.011147630000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.109399400000000,  0.619882610000000,  0.511071880000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.609015930000000,  0.379969910000000,  0.207510500000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.890600600000000,  0.619882610000000,  0.488928120000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.112064640000000,  0.123303150000000,  0.713262290000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.390723160000000,  0.879863410000000,  0.988852370000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.652388940000000,  0.109203900000000,  0.281932680000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.845982420000000,  0.887663800000000,  0.477397780000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.879675550000000,  0.348074730000000,  0.519805780000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.381056990000000,  0.151113550000000,  0.021239140000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.377722960000000,  0.347351340000000,  0.233928890000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.880003800000000,  0.150877150000000,  0.739235260000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.847611060000000,  0.609203900000000,  0.718067320000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.654017580000000,  0.387663800000000,  0.522602220000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    14.916009620000001,     0.000000000000000,    -0.000293810000000 ] # a  - [     0.000000000000000,    10.565426660000000,     0.000000000000000 ] # b  - [    -7.455696150000000,     0.000000000000000,     7.476363790000000 ] # c  points:  - symbol: Sm # 1    coordinates: [  0.000000000000000,  0.968399870000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Sm # 2    coordinates: [  0.500000000000000,  0.468399870000000,  0.500000000000000 ]    mass: 150.360000    reduced_to: 1  - symbol: Y  # 3    coordinates: [  0.500000000000000,  0.532549610000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.250667260000000,  0.749137090000000,  0.751028560000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.032599400000000,  0.251082510000000,  0.783496980000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.467400600000000,  0.751082510000000,  0.216503020000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.249048630000000,  0.500618430000000,  0.031009710000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.749650060000000,  0.999778490000000,  0.532912340000000 ]    mass: 88.905850    reduced_to: 8  - 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