# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/affa8d78-44ed-48fa-8952-0744049e2c2f/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 Y7HoO12 / I2_12_12_1 (24) / materials id 762307](https://mdr.nims.go.jp/datasets/ed68ce33-0505-48d2-bd6a-1f39f4eabc9b)

## 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: "I2_12_12_1"  number: 24  Hall_symbol: "I 2b 2c"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -5.265944425000000,     5.267046635000000,     5.266693670000000 ] # a  - [     5.265944425000000,    -5.267046635000000,     5.266693670000000 ] # b  - [     5.265944425000000,     5.267046635000000,    -5.266693670000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.217333740000000,  0.250000000000000,  0.467333740000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.999452820000000,  0.499713250000000,  0.499554210000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.750000000000000,  0.967253910000000,  0.217253910000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.250000000000000,  0.532746090000000,  0.282746090000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.532996050000000,  0.782996050000000,  0.750000000000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.032390520000000,  0.282390520000000,  0.750000000000000 ]    mass: 88.905850  - symbol: Y  # 7    coordinates: [  0.999840960000000,  0.000286750000000,  0.999739570000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.500547180000000,  0.000101390000000,  0.500260430000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.500159040000000,  0.499898610000000,  0.000445790000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.282666260000000,  0.750000000000000,  0.032666260000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.467609480000000,  0.217609480000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.967003950000000,  0.717003950000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Y  # 13    coordinates: [  0.750000000000000,  0.467633860000000,  0.717633860000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.250000000000000,  0.032366140000000,  0.782366140000000 ]    mass: 88.905850  - symbol: Ho # 15    coordinates: [  0.717018840000000,  0.250000000000000,  0.967018840000000 ]    mass: 164.930320  - symbol: Ho # 16    coordinates: [  0.782981160000000,  0.750000000000000,  0.532981160000000 ]    mass: 164.930320  - symbol: O  # 17    coordinates: [  0.489258440000000,  0.728162300000000,  0.957804360000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.270357940000000,  0.531454080000000,  0.542195640000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.041613610000000,  0.770213690000000,  0.531168180000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.239393830000000,  0.270582930000000,  0.228236460000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.260606170000000,  0.488842630000000,  0.031189100000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.458386390000000,  0.989554570000000,  0.728600080000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.229642060000000,  0.771837700000000,  0.261096140000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.010741560000000,  0.968545920000000,  0.238903860000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.031071260000000,  0.542087590000000,  0.770394830000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.771737510000000,  0.043198880000000,  0.011028130000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.271692760000000,  0.260676430000000,  0.729605170000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.532170750000000,  0.760709380000000,  0.488971870000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.468928740000000,  0.239323570000000,  0.511016330000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.228307240000000,  0.957912410000000,  0.988983670000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.728262490000000,  0.739290620000000,  0.271461370000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.967829250000000,  0.456801120000000,  0.228538630000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.988059700000000,  0.029976620000000,  0.759338060000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.770638560000000,  0.228721640000000,  0.740661940000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.542346470000000,  0.011157370000000,  0.271763540000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.739045510000000,  0.510445430000000,  0.968831820000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.760954490000000,  0.729786310000000,  0.771399920000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.957653530000000,  0.229417070000000,  0.468810900000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.729361440000000,  0.470023380000000,  0.458083080000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.511940300000000,  0.271278360000000,  0.041916920000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.094929860061890,     0.094936222102319 ] # a*  - [     0.094949729743872,     0.000000000000000,     0.094936222102319 ] # b*  - [     0.094949729743872,     0.094929860061890,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.531888850000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.534093270000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.533387340000001 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.750000000000000,  0.717333740000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.999907320000000,  0.499646890000000,  0.499805930000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.217253910000000,  0.000000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.782746090000000,  0.500000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.000000000000000,  0.750000000000000,  0.782996050000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.782390520000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.000092680000000,  0.999646890000000,  0.000194070000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.999907320000000,  0.500353110000000,  0.000194070000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 9    coordinates: [  0.000092680000000,  0.000353110000000,  0.499805930000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.750000000000000,  0.282666260000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.000000000000000,  0.250000000000000,  0.217609480000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.217003950000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 13    coordinates: [  0.217633860000000,  0.500000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.782366140000000,  0.000000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.250000000000000,  0.217333740000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 16    coordinates: [  0.499907320000000,  0.999646890000000,  0.999805930000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 17    coordinates: [  0.717253910000000,  0.500000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 18    coordinates: [  0.282746090000000,  0.000000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 19    coordinates: [  0.500000000000000,  0.250000000000000,  0.282996050000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 20    coordinates: [  0.000000000000000,  0.750000000000000,  0.282390520000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 21    coordinates: [  0.500092680000000,  0.499646890000000,  0.500194070000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 22    coordinates: [  0.499907320000000,  0.000353110000000,  0.500194070000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 23    coordinates: [  0.500092680000000,  0.500353110000000,  0.999805930000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 24    coordinates: [  0.250000000000000,  0.782666260000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 25    coordinates: [  0.500000000000000,  0.750000000000000,  0.717609480000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 26    coordinates: [  0.000000000000000,  0.250000000000000,  0.717003950000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 27    coordinates: [  0.717633860000000,  0.000000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 28    coordinates: [  0.282366140000000,  0.500000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Ho # 29    coordinates: [  0.250000000000000,  0.717018840000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 29  - symbol: Ho # 30    coordinates: [  0.250000000000000,  0.282981160000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 30  - symbol: Ho # 31    coordinates: [  0.750000000000000,  0.217018840000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 29  - symbol: Ho # 32    coordinates: [  0.750000000000000,  0.782981160000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 30  - symbol: O  # 33    coordinates: [  0.098354110000000,  0.859450250000000,  0.629808190000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.901645890000000,  0.640549750000000,  0.629808190000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.129884130000000,  0.401284050000000,  0.640329560000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.629712780000000,  0.598523680000000,  0.640870150000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.629712780000000,  0.401476320000000,  0.859129850000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.129884130000000,  0.598715950000000,  0.859670440000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.901645890000000,  0.359450250000000,  0.870191810000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.098354110000000,  0.140549750000000,  0.870191810000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.640705580000000,  0.129689250000000,  0.901382010000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.141244750000000,  0.869783380000000,  0.901954130000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.359294420000000,  0.370310750000000,  0.901382010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.858755250000000,  0.630216620000000,  0.901954130000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.140705580000000,  0.370310750000000,  0.098617990000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.859294420000000,  0.129689250000000,  0.098617990000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.641244750000000,  0.630216620000000,  0.098045870000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.358755250000000,  0.869783380000000,  0.098045870000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.900627490000000,  0.858710570000000,  0.129349130000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.099372510000000,  0.641289430000000,  0.129349130000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.870287220000000,  0.401476320000000,  0.140870150000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.370115870000000,  0.598715950000000,  0.140329560000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.370115870000000,  0.401284050000000,  0.359670440000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.870287220000000,  0.598523680000000,  0.359129850000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.099372510000000,  0.358710570000000,  0.370650870000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.900627490000000,  0.141289430000000,  0.370650870000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.598354110000000,  0.359450250000000,  0.129808190000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.401645890000000,  0.140549750000000,  0.129808190000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.629884130000000,  0.901284050000000,  0.140329560000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.129712780000000,  0.098523680000000,  0.140870150000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.129712780000000,  0.901476320000000,  0.359129850000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.629884130000000,  0.098715950000000,  0.359670440000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.401645890000000,  0.859450250000000,  0.370191810000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.598354110000000,  0.640549750000000,  0.370191810000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.140705580000000,  0.629689250000000,  0.401382010000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.641244750000000,  0.369783380000000,  0.401954130000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.859294420000000,  0.870310750000000,  0.401382010000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.358755250000000,  0.130216620000000,  0.401954130000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.640705580000000,  0.870310750000000,  0.598617990000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.359294420000000,  0.629689250000000,  0.598617990000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.141244750000000,  0.130216620000000,  0.598045870000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.858755250000000,  0.369783380000000,  0.598045870000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.400627490000000,  0.358710570000000,  0.629349130000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.599372510000000,  0.141289430000000,  0.629349130000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.370287220000000,  0.901476320000000,  0.640870150000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.870115870000000,  0.098715950000000,  0.640329560000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.870115870000000,  0.901284050000000,  0.859670440000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.370287220000000,  0.098523680000000,  0.859129850000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.599372510000000,  0.858710570000000,  0.870650870000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.400627490000000,  0.641289430000000,  0.870650870000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    10.531888850000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.534093270000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.533387340000001 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.750000000000000,  0.717333740000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.999907320000000,  0.499646890000000,  0.499805930000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.217253910000000,  0.000000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.782746090000000,  0.500000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.000000000000000,  0.750000000000000,  0.782996050000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.782390520000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.000092680000000,  0.999646890000000,  0.000194070000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.999907320000000,  0.500353110000000,  0.000194070000000 ]    mass: 88.905850    reduced_to: 8  - 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