# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/907bbed9-bc46-411f-b11c-31b1257c4c83/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 CsYO2 / P6_3/mmc (194) / materials id 541044](https://mdr.nims.go.jp/datasets/0c144ca4-4a34-496a-811a-0d9ca92dd903)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.505678090000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.752839040000000,     3.036006280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.496475680000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Y  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.582845590000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.917154410000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.417154410000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.082845590000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.285251518915132,     0.164690040948711,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.329380082836983,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.074093416956389 ] # c*unit_cell:  lattice:  - [     3.505678090000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.752839040000000,     3.036006280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.496475680000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Y  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 3  - symbol: Y  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 8supercell:  lattice:  - [    14.022712360000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.011356160000000,    12.144025120000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.496475680000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.083333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.333333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.583333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.833333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.083333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.333333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.583333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.833333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 9    coordinates: [  0.083333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 10    coordinates: [  0.333333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 11    coordinates: [  0.583333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 12    coordinates: [  0.833333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 13    coordinates: [  0.083333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 14    coordinates: [  0.333333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 15    coordinates: [  0.583333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 16    coordinates: [  0.833333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 17    coordinates: [  0.166666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 18    coordinates: [  0.416666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 19    coordinates: [  0.666666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 20    coordinates: [  0.916666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 21    coordinates: [  0.166666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 22    coordinates: [  0.416666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 23    coordinates: [  0.666666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 24    coordinates: [  0.916666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 25    coordinates: [  0.166666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 26    coordinates: [  0.416666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 27    coordinates: [  0.666666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 28    coordinates: [  0.916666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 29    coordinates: [  0.166666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 30    coordinates: [  0.416666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 31    coordinates: [  0.666666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 32    coordinates: [  0.916666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Y  # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 33  - symbol: Y  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 50    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 54    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 58    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 61    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 62    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 63    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: Y  # 64    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 49  - symbol: O  # 65    coordinates: [  0.083333332500000,  0.166666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.333333332500000,  0.166666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.583333332500000,  0.166666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.833333332500000,  0.166666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.083333332500000,  0.416666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 70    coordinates: [  0.333333332500000,  0.416666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 71    coordinates: [  0.583333332500000,  0.416666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 72    coordinates: [  0.833333332500000,  0.416666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 73    coordinates: [  0.083333332500000,  0.666666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 74    coordinates: [  0.333333332500000,  0.666666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 75    coordinates: [  0.583333332500000,  0.666666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 76    coordinates: [  0.833333332500000,  0.666666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 77    coordinates: [  0.083333332500000,  0.916666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 78    coordinates: [  0.333333332500000,  0.916666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 79    coordinates: [  0.583333332500000,  0.916666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 80    coordinates: [  0.833333332500000,  0.916666667500000,  0.582845590000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 81    coordinates: [  0.083333332500000,  0.166666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.333333332500000,  0.166666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 83    coordinates: [  0.583333332500000,  0.166666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 84    coordinates: [  0.833333332500000,  0.166666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 85    coordinates: [  0.083333332500000,  0.416666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 86    coordinates: [  0.333333332500000,  0.416666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 87    coordinates: [  0.583333332500000,  0.416666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 88    coordinates: [  0.833333332500000,  0.416666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 89    coordinates: [  0.083333332500000,  0.666666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 90    coordinates: [  0.333333332500000,  0.666666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 91    coordinates: [  0.583333332500000,  0.666666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 92    coordinates: [  0.833333332500000,  0.666666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 93    coordinates: [  0.083333332500000,  0.916666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 94    coordinates: [  0.333333332500000,  0.916666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 95    coordinates: [  0.583333332500000,  0.916666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 96    coordinates: [  0.833333332500000,  0.916666667500000,  0.917154410000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 97    coordinates: [  0.166666667500000,  0.083333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.416666667500000,  0.083333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 99    coordinates: [  0.666666667500000,  0.083333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 100    coordinates: [  0.916666667500000,  0.083333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 101    coordinates: [  0.166666667500000,  0.333333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 102    coordinates: [  0.416666667500000,  0.333333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 103    coordinates: [  0.666666667500000,  0.333333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 104    coordinates: [  0.916666667500000,  0.333333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 105    coordinates: [  0.166666667500000,  0.583333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 106    coordinates: [  0.416666667500000,  0.583333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 107    coordinates: [  0.666666667500000,  0.583333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 108    coordinates: [  0.916666667500000,  0.583333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 109    coordinates: [  0.166666667500000,  0.833333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 110    coordinates: [  0.416666667500000,  0.833333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 111    coordinates: [  0.666666667500000,  0.833333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 112    coordinates: [  0.916666667500000,  0.833333332500000,  0.417154410000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 113    coordinates: [  0.166666667500000,  0.083333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 114    coordinates: [  0.416666667500000,  0.083333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 115    coordinates: [  0.666666667500000,  0.083333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 116    coordinates: [  0.916666667500000,  0.083333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 117    coordinates: [  0.166666667500000,  0.333333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 118    coordinates: [  0.416666667500000,  0.333333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 119    coordinates: [  0.666666667500000,  0.333333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 120    coordinates: [  0.916666667500000,  0.333333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 121    coordinates: [  0.166666667500000,  0.583333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 122    coordinates: [  0.416666667500000,  0.583333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 123    coordinates: [  0.666666667500000,  0.583333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 124    coordinates: [  0.916666667500000,  0.583333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 125    coordinates: [  0.166666667500000,  0.833333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 126    coordinates: [  0.416666667500000,  0.833333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 127    coordinates: [  0.666666667500000,  0.833333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113  - symbol: O  # 128    coordinates: [  0.916666667500000,  0.833333332500000,  0.082845590000000 ]    mass: 15.999400    reduced_to: 113born_effective_charge:- # 1 (Cs)  - [  1.098315450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.098315450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.992091200000000 ]- # 2 (Cs)  - [  1.098315450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.098315450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.992091200000000 ]- # 3 (Y)  - [  4.174112800000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.174112800000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.898627760000000 ]- # 4 (Y)  - [  4.174112800000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.174112800000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.898627760000000 ]- # 5 (O)  - [ -2.636214130000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.636214130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.445359480000000 ]- # 6 (O)  - [ -2.636214130000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.636214130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.445359480000000 ]- # 7 (O)  - [ -2.636214130000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.636214130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.445359480000000 ]- # 8 (O)  - [ -2.636214130000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.636214130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.445359480000000 ]dielectric_constant:  - 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