# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/44cef535-e894-4bdb-9a02-e20c5ff2a3f5/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 CsDyS2 / P6_3/mmc (194) / materials id 984555](https://mdr.nims.go.jp/datasets/942c9543-bc2c-468c-8375-55cd97fb9185)

## 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:  - [     4.031365090000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.015682550000000,     3.491264580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.830732619999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Dy # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: S  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.908065830000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.408065830000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.091934170000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.591934170000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.248054933670123,     0.143214583078168,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.286429165445834,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.063168270477681 ] # c*unit_cell:  lattice:  - [     4.031365090000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.015682550000000,     3.491264580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.830732619999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Dy # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 3  - symbol: Dy # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 8supercell:  lattice:  - [    16.125460360000002,     0.000000000000000,     0.000000000000000 ] # a  - [    -8.062730200000001,    13.965058320000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.830732619999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.166666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.416666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.666666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.916666667500000,  0.083333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.166666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.416666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.666666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.916666667500000,  0.333333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 9    coordinates: [  0.166666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 10    coordinates: [  0.416666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 11    coordinates: [  0.666666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 12    coordinates: [  0.916666667500000,  0.583333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 13    coordinates: [  0.166666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 14    coordinates: [  0.416666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 15    coordinates: [  0.666666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 16    coordinates: [  0.916666667500000,  0.833333332500000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 17    coordinates: [  0.083333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 18    coordinates: [  0.333333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 19    coordinates: [  0.583333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 20    coordinates: [  0.833333332500000,  0.166666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 21    coordinates: [  0.083333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 22    coordinates: [  0.333333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 23    coordinates: [  0.583333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 24    coordinates: [  0.833333332500000,  0.416666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 25    coordinates: [  0.083333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 26    coordinates: [  0.333333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 27    coordinates: [  0.583333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 28    coordinates: [  0.833333332500000,  0.666666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 29    coordinates: [  0.083333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 30    coordinates: [  0.333333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 31    coordinates: [  0.583333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 32    coordinates: [  0.833333332500000,  0.916666667500000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Dy # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 34    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 36    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 37    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 39    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 40    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 41    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 42    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 43    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 44    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 46    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 162.500000    reduced_to: 33  - symbol: Dy # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 50    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 53    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 54    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 55    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 58    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 61    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 62    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 63    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: Dy # 64    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 49  - symbol: S  # 65    coordinates: [  0.083333332500000,  0.166666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.333333332500000,  0.166666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 67    coordinates: [  0.583333332500000,  0.166666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 68    coordinates: [  0.833333332500000,  0.166666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 69    coordinates: [  0.083333332500000,  0.416666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 70    coordinates: [  0.333333332500000,  0.416666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 71    coordinates: [  0.583333332500000,  0.416666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 72    coordinates: [  0.833333332500000,  0.416666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 73    coordinates: [  0.083333332500000,  0.666666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 74    coordinates: [  0.333333332500000,  0.666666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 75    coordinates: [  0.583333332500000,  0.666666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 76    coordinates: [  0.833333332500000,  0.666666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 77    coordinates: [  0.083333332500000,  0.916666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 78    coordinates: [  0.333333332500000,  0.916666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 79    coordinates: [  0.583333332500000,  0.916666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 80    coordinates: [  0.833333332500000,  0.916666667500000,  0.908065830000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 81    coordinates: [  0.166666667500000,  0.083333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 82    coordinates: [  0.416666667500000,  0.083333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 83    coordinates: [  0.666666667500000,  0.083333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 84    coordinates: [  0.916666667500000,  0.083333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 85    coordinates: [  0.166666667500000,  0.333333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 86    coordinates: [  0.416666667500000,  0.333333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 87    coordinates: [  0.666666667500000,  0.333333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 88    coordinates: [  0.916666667500000,  0.333333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 89    coordinates: [  0.166666667500000,  0.583333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 90    coordinates: [  0.416666667500000,  0.583333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 91    coordinates: [  0.666666667500000,  0.583333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 92    coordinates: [  0.916666667500000,  0.583333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 93    coordinates: [  0.166666667500000,  0.833333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 94    coordinates: [  0.416666667500000,  0.833333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 95    coordinates: [  0.666666667500000,  0.833333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 96    coordinates: [  0.916666667500000,  0.833333332500000,  0.408065830000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 97    coordinates: [  0.166666667500000,  0.083333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 98    coordinates: [  0.416666667500000,  0.083333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 99    coordinates: [  0.666666667500000,  0.083333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 100    coordinates: [  0.916666667500000,  0.083333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 101    coordinates: [  0.166666667500000,  0.333333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 102    coordinates: [  0.416666667500000,  0.333333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 103    coordinates: [  0.666666667500000,  0.333333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 104    coordinates: [  0.916666667500000,  0.333333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 105    coordinates: [  0.166666667500000,  0.583333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 106    coordinates: [  0.416666667500000,  0.583333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 107    coordinates: [  0.666666667500000,  0.583333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 108    coordinates: [  0.916666667500000,  0.583333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 109    coordinates: [  0.166666667500000,  0.833333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 110    coordinates: [  0.416666667500000,  0.833333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 111    coordinates: [  0.666666667500000,  0.833333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 112    coordinates: [  0.916666667500000,  0.833333332500000,  0.091934170000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 113    coordinates: [  0.083333332500000,  0.166666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 114    coordinates: [  0.333333332500000,  0.166666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 115    coordinates: [  0.583333332500000,  0.166666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 116    coordinates: [  0.833333332500000,  0.166666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 117    coordinates: [  0.083333332500000,  0.416666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 118    coordinates: [  0.333333332500000,  0.416666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 119    coordinates: [  0.583333332500000,  0.416666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 120    coordinates: [  0.833333332500000,  0.416666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 121    coordinates: [  0.083333332500000,  0.666666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 122    coordinates: [  0.333333332500000,  0.666666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 123    coordinates: [  0.583333332500000,  0.666666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 124    coordinates: [  0.833333332500000,  0.666666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 125    coordinates: [  0.083333332500000,  0.916666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 126    coordinates: [  0.333333332500000,  0.916666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 127    coordinates: [  0.583333332500000,  0.916666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113  - symbol: S  # 128    coordinates: [  0.833333332500000,  0.916666667500000,  0.591934170000000 ]    mass: 32.065000    reduced_to: 113born_effective_charge:- # 1 (Cs)  - [  1.070348360000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.070348360000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.248682300000000 ]- # 2 (Cs)  - [  1.070348360000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.070348360000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.248682300000000 ]- # 3 (Dy)  - [  4.446762760000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.446762760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.117764910000000 ]- # 4 (Dy)  - 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