# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c7428e18-1a31-4d40-bf27-fba64c967b00/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 YSiNO2 / P6_122 (178) / materials id 559569](https://mdr.nims.go.jp/datasets/86b9c9e5-1bd6-4a81-a7be-9f0f53b4dafe)

## 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: "P6_122"  number: 178  Hall_symbol: "P 61 2 (0 0 -1)"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.979779140000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.489889570000000,     6.044666050000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.343531230000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.986970360000000,  0.973940710000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Y  # 2    coordinates: [  0.026059290000000,  0.013029640000000,  0.583333330000000 ]    mass: 88.905850  - symbol: Y  # 3    coordinates: [  0.013029640000000,  0.026059290000000,  0.750000000000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.986970360000000,  0.013029640000000,  0.916666670000000 ]    mass: 88.905850  - symbol: Y  # 5    coordinates: [  0.338100890000000,  0.661899110000000,  0.916666670000000 ]    mass: 88.905850  - symbol: Y  # 6    coordinates: [  0.661899110000000,  0.323798210000000,  0.750000000000000 ]    mass: 88.905850  - symbol: Y  # 7    coordinates: [  0.661899110000000,  0.338100890000000,  0.416666670000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.656403770000000,  0.343596230000000,  0.916666670000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.676201790000000,  0.338100890000000,  0.083333330000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.312807550000000,  0.656403770000000,  0.083333330000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.323798210000000,  0.661899110000000,  0.583333330000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.656403770000000,  0.312807550000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Y  # 13    coordinates: [  0.687192450000000,  0.343596230000000,  0.583333330000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.343596230000000,  0.687192450000000,  0.750000000000000 ]    mass: 88.905850  - symbol: Y  # 15    coordinates: [  0.343596230000000,  0.656403770000000,  0.416666670000000 ]    mass: 88.905850  - symbol: Y  # 16    coordinates: [  0.973940710000000,  0.986970360000000,  0.083333330000000 ]    mass: 88.905850  - symbol: Y  # 17    coordinates: [  0.013029640000000,  0.986970360000000,  0.416666670000000 ]    mass: 88.905850  - symbol: Y  # 18    coordinates: [  0.338100890000000,  0.676201790000000,  0.250000000000000 ]    mass: 88.905850  - symbol: Si # 19    coordinates: [  0.324769420000000,  0.247346280000000,  0.001988330000000 ]    mass: 28.085500  - symbol: Si # 20    coordinates: [  0.428089380000000,  0.428089380000000,  0.666666670000000 ]    mass: 28.085500  - symbol: Si # 21    coordinates: [  0.752653720000000,  0.077423160000000,  0.335321660000000 ]    mass: 28.085500  - symbol: Si # 22    coordinates: [  0.675230580000000,  0.752653720000000,  0.501988330000000 ]    mass: 28.085500  - symbol: Si # 23    coordinates: [  0.247346280000000,  0.922576840000000,  0.835321660000000 ]    mass: 28.085500  - symbol: Si # 24    coordinates: [  0.922576840000000,  0.247346280000000,  0.498011670000000 ]    mass: 28.085500  - symbol: Si # 25    coordinates: [  0.077423160000000,  0.324769420000000,  0.168654990000000 ]    mass: 28.085500  - symbol: Si # 26    coordinates: [  0.571910620000000,  0.000000000000000,  0.000000000000000 ]    mass: 28.085500  - symbol: Si # 27    coordinates: [  0.000000000000000,  0.428089380000000,  0.833333330000000 ]    mass: 28.085500  - symbol: Si # 28    coordinates: [  0.077423160000000,  0.752653720000000,  0.998011670000000 ]    mass: 28.085500  - symbol: Si # 29    coordinates: [  0.000000000000000,  0.571910620000000,  0.333333330000000 ]    mass: 28.085500  - symbol: Si # 30    coordinates: [  0.752653720000000,  0.675230580000000,  0.831345010000000 ]    mass: 28.085500  - symbol: Si # 31    coordinates: [  0.675230580000000,  0.922576840000000,  0.664678340000000 ]    mass: 28.085500  - symbol: Si # 32    coordinates: [  0.428089380000000,  0.000000000000000,  0.500000000000000 ]    mass: 28.085500  - symbol: Si # 33    coordinates: [  0.922576840000000,  0.675230580000000,  0.668654990000000 ]    mass: 28.085500  - symbol: Si # 34    coordinates: [  0.247346280000000,  0.324769420000000,  0.331345010000000 ]    mass: 28.085500  - symbol: Si # 35    coordinates: [  0.571910620000000,  0.571910620000000,  0.166666670000000 ]    mass: 28.085500  - symbol: Si # 36    coordinates: [  0.324769420000000,  0.077423160000000,  0.164678340000000 ]    mass: 28.085500  - symbol: N  # 37    coordinates: [  0.434686820000000,  0.759310450000000,  0.501024630000000 ]    mass: 14.006700  - symbol: N  # 38    coordinates: [  0.675376370000000,  0.434686820000000,  0.667691300000000 ]    mass: 14.006700  - symbol: N  # 39    coordinates: [  0.916130890000000,  0.000000000000000,  0.500000000000000 ]    mass: 14.006700  - symbol: N  # 40    coordinates: [  0.083869110000000,  0.000000000000000,  0.000000000000000 ]    mass: 14.006700  - symbol: N  # 41    coordinates: [  0.000000000000000,  0.916130890000000,  0.833333330000000 ]    mass: 14.006700  - symbol: N  # 42    coordinates: [  0.565313180000000,  0.240689550000000,  0.001024630000000 ]    mass: 14.006700  - symbol: N  # 43    coordinates: [  0.324623630000000,  0.565313180000000,  0.167691300000000 ]    mass: 14.006700  - symbol: N  # 44    coordinates: [  0.240689550000000,  0.675376370000000,  0.834357960000000 ]    mass: 14.006700  - symbol: N  # 45    coordinates: [  0.434686820000000,  0.675376370000000,  0.665642040000000 ]    mass: 14.006700  - symbol: N  # 46    coordinates: [  0.916130890000000,  0.916130890000000,  0.666666670000000 ]    mass: 14.006700  - symbol: N  # 47    coordinates: [  0.675376370000000,  0.240689550000000,  0.498975370000000 ]    mass: 14.006700  - symbol: N  # 48    coordinates: [  0.083869110000000,  0.083869110000000,  0.166666670000000 ]    mass: 14.006700  - symbol: N  # 49    coordinates: [  0.565313180000000,  0.324623630000000,  0.165642040000000 ]    mass: 14.006700  - symbol: N  # 50    coordinates: [  0.000000000000000,  0.083869110000000,  0.333333330000000 ]    mass: 14.006700  - symbol: N  # 51    coordinates: [  0.324623630000000,  0.759310450000000,  0.998975370000000 ]    mass: 14.006700  - symbol: N  # 52    coordinates: [  0.759310450000000,  0.324623630000000,  0.334357960000000 ]    mass: 14.006700  - symbol: N  # 53    coordinates: [  0.759310450000000,  0.434686820000000,  0.832308700000000 ]    mass: 14.006700  - symbol: N  # 54    coordinates: [  0.240689550000000,  0.565313180000000,  0.332308700000000 ]    mass: 14.006700  - symbol: O  # 55    coordinates: [  0.035952430000000,  0.367004390000000,  0.550618180000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.035952430000000,  0.668948050000000,  0.616048490000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.000830130000000,  0.313458780000000,  0.780826820000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.687371360000000,  0.686541220000000,  0.219173180000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.964047570000000,  0.632995610000000,  0.050618180000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.367004390000000,  0.035952430000000,  0.782715160000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.686541220000000,  0.687371360000000,  0.114160150000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.000830130000000,  0.687371360000000,  0.385839850000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.643792410000000,  0.963813440000000,  0.388652560000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.312628640000000,  0.999169870000000,  0.447493490000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.356207590000000,  0.320021020000000,  0.278014110000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.632995610000000,  0.668948050000000,  0.883951510000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.036186560000000,  0.356207590000000,  0.444680780000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.964047570000000,  0.331051950000000,  0.116048490000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.999169870000000,  0.686541220000000,  0.280826820000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.313458780000000,  0.000830130000000,  0.552506510000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.686541220000000,  0.999169870000000,  0.052506510000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.312628640000000,  0.313458780000000,  0.719173180000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.036186560000000,  0.679978980000000,  0.721985890000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.331051950000000,  0.367004390000000,  0.949381820000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.668948050000000,  0.035952430000000,  0.717284840000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.632995610000000,  0.964047570000000,  0.282715160000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.687371360000000,  0.000830130000000,  0.947493490000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.999169870000000,  0.312628640000000,  0.885839850000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.679978980000000,  0.643792410000000,  0.555319220000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.356207590000000,  0.036186560000000,  0.888652560000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.367004390000000,  0.331051950000000,  0.383951510000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.643792410000000,  0.679978980000000,  0.778014110000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.313458780000000,  0.312628640000000,  0.614160150000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.331051950000000,  0.964047570000000,  0.217284840000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.963813440000000,  0.320021020000000,  0.221985890000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.963813440000000,  0.643792410000000,  0.944680780000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.679978980000000,  0.036186560000000,  0.611347440000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.320021020000000,  0.356207590000000,  0.055319220000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.320021020000000,  0.963813440000000,  0.111347440000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.668948050000000,  0.632995610000000,  0.449381820000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.143271009002156,     0.082717555587707,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.165435111175414,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.036571721171948 ] # c*unit_cell:  lattice:  - [     6.979779140000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.489889570000000,     6.044666050000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.343531230000000 ] # c  points:  - symbol: Y  # 1    coordinates: [  0.986970360000000,  0.973940710000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 1  - symbol: Y  # 2    coordinates: [  0.026059290000000,  0.013029640000000,  0.583333330000000 ]    mass: 88.905850    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.013029640000000,  0.026059290000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.986970360000000,  0.013029640000000,  0.916666670000000 ]    mass: 88.905850    reduced_to: 4  - symbol: Y  # 5    coordinates: [  0.338100890000000,  0.661899110000000,  0.916666670000000 ]    mass: 88.905850    reduced_to: 5  - symbol: Y  # 6    coordinates: [  0.661899110000000,  0.323798210000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 6  - symbol: Y  # 7    coordinates: [  0.661899110000000,  0.338100890000000,  0.416666670000000 ]    mass: 88.905850    reduced_to: 7  - symbol: Y  # 8    coordinates: [  0.656403770000000,  0.343596230000000,  0.916666670000000 ]    mass: 88.905850    reduced_to: 8  - symbol: Y  # 9    coordinates: [  0.676201790000000,  0.338100890000000,  0.083333330000000 ]    mass: 88.905850    reduced_to: 9  - symbol: Y  # 10    coordinates: [  0.312807550000000,  0.656403770000000,  0.083333330000000 ]    mass: 88.905850    reduced_to: 10  - symbol: Y  # 11    coordinates: [  0.323798210000000,  0.661899110000000,  0.583333330000000 ]    mass: 88.905850    reduced_to: 11  - symbol: Y  # 12    coordinates: [  0.656403770000000,  0.312807550000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 12  - symbol: Y  # 13    coordinates: [  0.687192450000000,  0.343596230000000,  0.583333330000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.343596230000000,  0.687192450000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.343596230000000,  0.656403770000000,  0.416666670000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 16    coordinates: [  0.973940710000000,  0.986970360000000,  0.083333330000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 17    coordinates: [  0.013029640000000,  0.986970360000000,  0.416666670000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 18    coordinates: [  0.338100890000000,  0.676201790000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 18  - symbol: Si # 19    coordinates: [  0.324769420000000,  0.247346280000000,  0.001988330000000 ]    mass: 28.085500    reduced_to: 19  - symbol: Si # 20    coordinates: [  0.428089380000000,  0.428089380000000,  0.666666670000000 ]    mass: 28.085500    reduced_to: 20  - symbol: Si # 21    coordinates: [  0.752653720000000,  0.077423160000000,  0.335321660000000 ]    mass: 28.085500    reduced_to: 21  - symbol: Si # 22    coordinates: [  0.675230580000000,  0.752653720000000,  0.501988330000000 ]    mass: 28.085500    reduced_to: 22  - symbol: Si # 23    coordinates: [  0.247346280000000,  0.922576840000000,  0.835321660000000 ]    mass: 28.085500    reduced_to: 23  - symbol: Si # 24    coordinates: [  0.922576840000000,  0.247346280000000,  0.498011670000000 ]    mass: 28.085500    reduced_to: 24  - symbol: Si # 25    coordinates: [  0.077423160000000,  0.324769420000000,  0.168654990000000 ]    mass: 28.085500    reduced_to: 25  - symbol: Si # 26    coordinates: [  0.571910620000000,  0.000000000000000,  0.000000000000000 ]    mass: 28.085500    reduced_to: 26  - symbol: Si # 27    coordinates: [  0.000000000000000,  0.428089380000000,  0.833333330000000 ]    mass: 28.085500    reduced_to: 27  - symbol: Si # 28    coordinates: [  0.077423160000000,  0.752653720000000,  0.998011670000000 ]    mass: 28.085500    reduced_to: 28  - symbol: Si # 29    coordinates: [  0.000000000000000,  0.571910620000000,  0.333333330000000 ]    mass: 28.085500    reduced_to: 29  - symbol: Si # 30    coordinates: [  0.752653720000000,  0.675230580000000,  0.831345010000000 ]    mass: 28.085500    reduced_to: 30  - symbol: Si # 31    coordinates: [  0.675230580000000,  0.922576840000000,  0.664678340000000 ]    mass: 28.085500    reduced_to: 31  - symbol: Si # 32    coordinates: [  0.428089380000000,  0.000000000000000,  0.500000000000000 ]    mass: 28.085500    reduced_to: 32  - symbol: Si # 33    coordinates: [  0.922576840000000,  0.675230580000000,  0.668654990000000 ]    mass: 28.085500    reduced_to: 33  - symbol: Si # 34    coordinates: [  0.247346280000000,  0.324769420000000,  0.331345010000000 ]    mass: 28.085500    reduced_to: 34  - symbol: Si # 35    coordinates: [  0.571910620000000,  0.571910620000000,  0.166666670000000 ]    mass: 28.085500    reduced_to: 35  - symbol: Si # 36    coordinates: [  0.324769420000000,  0.077423160000000,  0.164678340000000 ]    mass: 28.085500    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.434686820000000,  0.759310450000000,  0.501024630000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.675376370000000,  0.434686820000000,  0.667691300000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.916130890000000,  0.000000000000000,  0.500000000000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.083869110000000,  0.000000000000000,  0.000000000000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.000000000000000,  0.916130890000000,  0.833333330000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.565313180000000,  0.240689550000000,  0.001024630000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.324623630000000,  0.565313180000000,  0.167691300000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.240689550000000,  0.675376370000000,  0.834357960000000 ]    mass: 14.006700    reduced_to: 44  - symbol: N  # 45    coordinates: [  0.434686820000000,  0.675376370000000,  0.665642040000000 ]    mass: 14.006700    reduced_to: 45  - symbol: N  # 46    coordinates: [  0.916130890000000,  0.916130890000000,  0.666666670000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 47    coordinates: [  0.675376370000000,  0.240689550000000,  0.498975370000000 ]    mass: 14.006700    reduced_to: 47  - symbol: N  # 48    coordinates: [  0.083869110000000,  0.083869110000000,  0.166666670000000 ]    mass: 14.006700    reduced_to: 48  - symbol: N  # 49    coordinates: [  0.565313180000000,  0.324623630000000,  0.165642040000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.000000000000000,  0.083869110000000,  0.333333330000000 ]    mass: 14.006700    reduced_to: 50  - symbol: N  # 51    coordinates: [  0.324623630000000,  0.759310450000000,  0.998975370000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 52    coordinates: [  0.759310450000000,  0.324623630000000,  0.334357960000000 ]    mass: 14.006700    reduced_to: 52  - symbol: N  # 53    coordinates: [  0.759310450000000,  0.434686820000000,  0.832308700000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 54    coordinates: [  0.240689550000000,  0.565313180000000,  0.332308700000000 ]    mass: 14.006700    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.035952430000000,  0.367004390000000,  0.550618180000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.035952430000000,  0.668948050000000,  0.616048490000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.000830130000000,  0.313458780000000,  0.780826820000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.687371360000000,  0.686541220000000,  0.219173180000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.964047570000000,  0.632995610000000,  0.050618180000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.367004390000000,  0.035952430000000,  0.782715160000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.686541220000000,  0.687371360000000,  0.114160150000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.000830130000000,  0.687371360000000,  0.385839850000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.643792410000000,  0.963813440000000,  0.388652560000000 ]    mass: 15.999400    reduced_to: 63  - 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