# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/103beca8-1d10-4168-ae6e-69976acbe1bb/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 NaZr2(AsO4)3 / R-3c (167) / materials id 553912](https://mdr.nims.go.jp/datasets/c9d2e7d7-d094-4aeb-810c-6d35dbc52ed0)

## 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: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.604364593333337,     2.658331136666664,     7.690587526666659 ] # a  - [    -4.604364596666661,     2.658331136666664,     7.690587526666659 ] # b  - [     0.000000003333338,    -5.316662273333336,     7.690587526666659 ] # c  points:  - symbol: Na # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Zr # 3    coordinates: [  0.857371980000000,  0.857371970000000,  0.857371980000000 ]    mass: 91.224000  - symbol: Zr # 4    coordinates: [  0.642628020000000,  0.642628030000001,  0.642628020000000 ]    mass: 91.224000  - symbol: Zr # 5    coordinates: [  0.357371970000000,  0.357371980000000,  0.357371970000000 ]    mass: 91.224000  - symbol: Zr # 6    coordinates: [  0.142628020000000,  0.142628020000000,  0.142628020000000 ]    mass: 91.224000  - symbol: As # 7    coordinates: [  0.459249530000000,  0.040750460000000,  0.750000000000000 ]    mass: 74.921600  - symbol: As # 8    coordinates: [  0.250000000000000,  0.540750460000001,  0.959249540000000 ]    mass: 74.921600  - symbol: As # 9    coordinates: [  0.750000000000000,  0.459249530000000,  0.040750460000000 ]    mass: 74.921600  - symbol: As # 10    coordinates: [  0.540750460000000,  0.959249540000001,  0.250000000000000 ]    mass: 74.921600  - symbol: As # 11    coordinates: [  0.040750460000000,  0.750000000000000,  0.459249530000000 ]    mass: 74.921600  - symbol: As # 12    coordinates: [  0.959249540000000,  0.250000000000001,  0.540750460000000 ]    mass: 74.921600  - symbol: O  # 13    coordinates: [  0.700571790000000,  0.499218300000000,  0.871324340000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.060498100000000,  0.922218990000000,  0.267435300000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.628675650000000,  0.000781690000000,  0.799428210000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.439501910000000,  0.232564690000000,  0.577781020000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.299428210000000,  0.500781690000001,  0.128675660000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.267435300000000,  0.060498110000000,  0.922218980000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.939501910000000,  0.077781010000001,  0.732564710000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.422218980000000,  0.560498100000001,  0.767435290000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.560498090000000,  0.767435300000001,  0.422218980000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.871324340000000,  0.700571790000000,  0.499218300000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.732564710000000,  0.939501900000001,  0.077781020000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.371324340000000,  0.999218310000001,  0.200571790000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.200571790000000,  0.371324350000001,  0.999218300000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.999218300000000,  0.200571800000000,  0.371324340000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.077781020000000,  0.732564700000001,  0.939501910000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.128675660000000,  0.299428200000001,  0.500781700000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.577781020000000,  0.439501900000000,  0.232564700000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.000781700000000,  0.799428200000000,  0.628675650000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.799428210000000,  0.628675640000000,  0.000781700000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.232564700000000,  0.577781010000000,  0.439501910000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.767435290000000,  0.422218990000001,  0.560498090000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.499218300000000,  0.871324340000000,  0.700571790000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.500781700000000,  0.128675650000001,  0.299428210000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.922218980000000,  0.267435310000000,  0.060498100000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.108592616784293,     0.062695976640683,     0.043343025767215 ] # a*  - [    -0.108592616784293,     0.062695976504517,     0.043343025767215 ] # b*  - [    -0.000000000000000,    -0.125391953145200,     0.043343025767215 ] # c*unit_cell:  lattice:  - [     9.208729190000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.604364600000000,     7.974993410000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    23.071762580000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Zr # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.190705310000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.309294690000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.024038640000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.142628020000000 ]    mass: 91.224000    reduced_to: 10  - symbol: Zr # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.524038640000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.642628020000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.357371980000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 14    coordinates: [  0.666666670000000,  0.333333330000000,  0.475961360000000 ]    mass: 91.224000    reduced_to: 10  - symbol: Zr # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.857371980000000 ]    mass: 91.224000    reduced_to: 7  - symbol: Zr # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.975961360000000 ]    mass: 91.224000    reduced_to: 8  - symbol: Zr # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.690705310000000 ]    mass: 91.224000    reduced_to: 9  - symbol: Zr # 18    coordinates: [  0.333333330000000,  0.666666670000000,  0.809294690000000 ]    mass: 91.224000    reduced_to: 10  - symbol: As # 19    coordinates: [  0.375916200000000,  0.333333330000000,  0.083333330000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 20    coordinates: [  0.000000000000000,  0.290750460000000,  0.250000000000000 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 21    coordinates: [  0.666666670000000,  0.042582870000000,  0.083333330000000 ]    mass: 74.921600    reduced_to: 21  - symbol: As # 22    coordinates: [  0.290750460000000,  0.000000000000000,  0.250000000000000 ]    mass: 74.921600    reduced_to: 22  - symbol: As # 23    coordinates: [  0.957417130000000,  0.624083800000000,  0.083333330000000 ]    mass: 74.921600    reduced_to: 23  - symbol: As # 24    coordinates: [  0.709249540000000,  0.709249540000000,  0.250000000000000 ]    mass: 74.921600    reduced_to: 24  - symbol: As # 25    coordinates: [  0.042582870000000,  0.666666670000000,  0.416666670000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 26    coordinates: [  0.666666670000000,  0.624083800000000,  0.583333330000000 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 27    coordinates: [  0.333333330000000,  0.375916200000000,  0.416666670000000 ]    mass: 74.921600    reduced_to: 21  - symbol: As # 28    coordinates: [  0.957417130000000,  0.333333330000000,  0.583333330000000 ]    mass: 74.921600    reduced_to: 22  - symbol: As # 29    coordinates: [  0.624083800000000,  0.957417130000000,  0.416666670000000 ]    mass: 74.921600    reduced_to: 23  - symbol: As # 30    coordinates: [  0.375916200000000,  0.042582870000000,  0.583333330000000 ]    mass: 74.921600    reduced_to: 24  - symbol: As # 31    coordinates: [  0.709249540000000,  0.000000000000000,  0.750000000000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 32    coordinates: [  0.333333330000000,  0.957417130000000,  0.916666670000000 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 33    coordinates: [  0.000000000000000,  0.709249540000000,  0.750000000000000 ]    mass: 74.921600    reduced_to: 21  - symbol: As # 34    coordinates: [  0.624083800000000,  0.666666670000000,  0.916666670000000 ]    mass: 74.921600    reduced_to: 22  - symbol: As # 35    coordinates: [  0.290750460000000,  0.290750460000000,  0.750000000000000 ]    mass: 74.921600    reduced_to: 23  - symbol: As # 36    coordinates: [  0.042582870000000,  0.375916200000000,  0.916666670000000 ]    mass: 74.921600    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.676866980000000,  0.152380470000000,  0.023704810000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.977113970000000,  0.815948830000000,  0.083384130000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.485713800000000,  0.343533640000000,  0.142961850000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.356219370000000,  0.505501520000000,  0.083282540000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.989799690000000,  0.180952860000000,  0.309628520000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.184051170000000,  0.161165150000000,  0.083384130000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.689552700000000,  0.517384500000000,  0.249949210000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.172168190000000,  0.482615500000000,  0.250050790000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.310447300000000,  0.827831810000000,  0.250050790000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.847619530000000,  0.524486510000000,  0.023704810000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.482615500000000,  0.172168190000000,  0.249949210000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.180952860000000,  0.989799690000000,  0.190371480000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.010200310000000,  0.191153180000000,  0.190371480000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.808846820000000,  0.819047140000000,  0.190371480000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.827831810000000,  0.310447300000000,  0.249949210000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.819047140000000,  0.808846820000000,  0.309628520000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.494498480000000,  0.850717840000000,  0.083282540000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.857819850000000,  0.514286200000000,  0.142961850000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.656466360000000,  0.142180150000000,  0.142961850000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.149282160000000,  0.643780630000000,  0.083282540000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.517384500000000,  0.689552700000000,  0.250050790000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.475513490000000,  0.323133020000000,  0.023704810000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.191153180000000,  0.010200310000000,  0.309628520000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.838834850000000,  0.022886030000000,  0.083384130000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.343533640000000,  0.485713800000000,  0.357038150000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.643780630000000,  0.149282160000000,  0.416717460000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.152380470000000,  0.676866980000000,  0.476295190000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.022886030000000,  0.838834850000000,  0.416615870000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.656466360000000,  0.514286200000000,  0.642961850000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.850717840000000,  0.494498480000000,  0.416717460000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.356219370000000,  0.850717840000000,  0.583282540000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.838834850000000,  0.815948830000000,  0.583384130000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.977113970000000,  0.161165150000000,  0.583384130000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.514286200000000,  0.857819850000000,  0.357038150000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.149282160000000,  0.505501520000000,  0.583282540000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.847619530000000,  0.323133020000000,  0.523704810000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.676866980000000,  0.524486510000000,  0.523704810000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.475513490000000,  0.152380470000000,  0.523704810000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.494498480000000,  0.643780630000000,  0.583282540000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.485713800000000,  0.142180150000000,  0.642961850000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.161165150000000,  0.184051170000000,  0.416615870000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.524486510000000,  0.847619530000000,  0.476295190000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.323133020000000,  0.475513490000000,  0.476295190000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.815948830000000,  0.977113970000000,  0.416615870000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 81    coordinates: [  0.184051170000000,  0.022886030000000,  0.583384130000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 82    coordinates: [  0.142180150000000,  0.656466360000000,  0.357038150000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 83    coordinates: [  0.857819850000000,  0.343533640000000,  0.642961850000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 84    coordinates: [  0.505501520000000,  0.356219370000000,  0.416717460000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 85    coordinates: [  0.010200310000000,  0.819047140000000,  0.690371480000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 86    coordinates: [  0.310447300000000,  0.482615500000000,  0.750050790000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 87    coordinates: [  0.819047140000000,  0.010200310000000,  0.809628520000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 88    coordinates: [  0.689552700000000,  0.172168190000000,  0.749949210000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 89    coordinates: [  0.323133020000000,  0.847619530000000,  0.976295190000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 90    coordinates: [  0.517384500000000,  0.827831810000000,  0.750050790000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 91    coordinates: [  0.022886030000000,  0.184051170000000,  0.916615870000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 92    coordinates: [  0.505501520000000,  0.149282160000000,  0.916717460000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 93    coordinates: [  0.643780630000000,  0.494498480000000,  0.916717460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 94    coordinates: [  0.180952860000000,  0.191153180000000,  0.690371480000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 95    coordinates: [  0.815948830000000,  0.838834850000000,  0.916615870000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 96    coordinates: [  0.514286200000000,  0.656466360000000,  0.857038150000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 97    coordinates: [  0.343533640000000,  0.857819850000000,  0.857038150000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 98    coordinates: [  0.142180150000000,  0.485713800000000,  0.857038150000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 99    coordinates: [  0.161165150000000,  0.977113970000000,  0.916615870000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 100    coordinates: [  0.152380470000000,  0.475513490000000,  0.976295190000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 101    coordinates: [  0.827831810000000,  0.517384500000000,  0.749949210000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 102    coordinates: [  0.191153180000000,  0.180952860000000,  0.809628520000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 103    coordinates: [  0.989799690000000,  0.808846820000000,  0.809628520000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 104    coordinates: [  0.482615500000000,  0.310447300000000,  0.749949210000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 105    coordinates: [  0.850717840000000,  0.356219370000000,  0.916717460000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 106    coordinates: [  0.808846820000000,  0.989799690000000,  0.690371480000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 107    coordinates: [  0.524486510000000,  0.676866980000000,  0.976295190000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 108    coordinates: [  0.172168190000000,  0.689552700000000,  0.750050790000000 ]    mass: 15.999400    reduced_to: 60supercell:  lattice:  - [     9.208729190000000,     0.000000000000000,     0.000000000000000 ] # a  - 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