# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fb2b9a6e-41dd-49e8-bc5b-8f755b253d2b/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 K2H4Pd / I4/mmm (139) / materials id 643257](https://mdr.nims.go.jp/datasets/7d564914-87d0-4ae1-bed5-35fd297d22bb)

## 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: "I4/mmm"  number: 139  Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -2.857396720000000,     2.857396720000000,     3.782054060000000 ] # a  - [     2.857396720000000,    -2.857396720000000,     3.782054060000000 ] # b  - [     2.857396720000000,     2.857396720000000,    -3.782054060000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300  - symbol: K  # 2    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300  - symbol: H  # 3    coordinates: [  0.203823800000000,  0.203823800000000,  0.407647600000000 ]    mass: 1.007940  - symbol: H  # 4    coordinates: [  0.796176200000000,  0.796176200000000,  0.592352400000000 ]    mass: 1.007940  - symbol: H  # 5    coordinates: [  0.203823800000000,  0.796176200000000,  0.000000000000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.796176200000000,  0.203823800000000,  0.000000000000000 ]    mass: 1.007940  - symbol: Pd # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.174984452281446,     0.132203292726070 ] # a*  - [     0.174984452281446,     0.000000000000000,     0.132203292726070 ] # b*  - [     0.174984452281446,     0.174984452281446,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.714793440000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.714793440000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.564108120000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 2  - symbol: K  # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 2  - symbol: H  # 5    coordinates: [  0.203823800000000,  0.203823800000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.296176200000000,  0.296176200000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.296176200000000,  0.703823800000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.703823800000000,  0.296176200000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.703823800000000,  0.703823800000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 10    coordinates: [  0.796176200000000,  0.796176200000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 11    coordinates: [  0.796176200000000,  0.203823800000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 12    coordinates: [  0.203823800000000,  0.796176200000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 8  - symbol: Pd # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 13  - symbol: Pd # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 13supercell:  lattice:  - [    11.429586880000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.429586880000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.128216240000000 ] # c  points:  - symbol: K  # 1    coordinates: [  0.250000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 2    coordinates: [  0.750000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 3    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 4    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 5    coordinates: [  0.250000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 6    coordinates: [  0.750000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 7    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 8    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 9    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 14    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 15    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 16    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 17    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 18    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 19    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 20    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 21    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 22    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 23    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 24    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 1  - symbol: K  # 25    coordinates: [  0.250000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 26    coordinates: [  0.750000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 27    coordinates: [  0.250000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 28    coordinates: [  0.750000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 29    coordinates: [  0.250000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 30    coordinates: [  0.750000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 31    coordinates: [  0.250000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 32    coordinates: [  0.750000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: H  # 33    coordinates: [  0.101911900000000,  0.101911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 34    coordinates: [  0.601911900000000,  0.101911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 35    coordinates: [  0.101911900000000,  0.601911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 36    coordinates: [  0.601911900000000,  0.601911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 37    coordinates: [  0.101911900000000,  0.101911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 38    coordinates: [  0.601911900000000,  0.101911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 39    coordinates: [  0.101911900000000,  0.601911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 40    coordinates: [  0.601911900000000,  0.601911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 41    coordinates: [  0.148088100000000,  0.148088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 42    coordinates: [  0.648088100000000,  0.148088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 43    coordinates: [  0.148088100000000,  0.648088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 44    coordinates: [  0.648088100000000,  0.648088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 45    coordinates: [  0.148088100000000,  0.148088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 46    coordinates: [  0.648088100000000,  0.148088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 47    coordinates: [  0.148088100000000,  0.648088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 48    coordinates: [  0.648088100000000,  0.648088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 49    coordinates: [  0.148088100000000,  0.351911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 50    coordinates: [  0.648088100000000,  0.351911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 51    coordinates: [  0.148088100000000,  0.851911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 52    coordinates: [  0.648088100000000,  0.851911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 53    coordinates: [  0.148088100000000,  0.351911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 54    coordinates: [  0.648088100000000,  0.351911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 55    coordinates: [  0.148088100000000,  0.851911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 56    coordinates: [  0.648088100000000,  0.851911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 57    coordinates: [  0.351911900000000,  0.148088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 58    coordinates: [  0.851911900000000,  0.148088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 59    coordinates: [  0.351911900000000,  0.648088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 60    coordinates: [  0.851911900000000,  0.648088100000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 61    coordinates: [  0.351911900000000,  0.148088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 62    coordinates: [  0.851911900000000,  0.148088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 63    coordinates: [  0.351911900000000,  0.648088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 64    coordinates: [  0.851911900000000,  0.648088100000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 65    coordinates: [  0.351911900000000,  0.351911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 66    coordinates: [  0.851911900000000,  0.351911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 67    coordinates: [  0.351911900000000,  0.851911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 68    coordinates: [  0.851911900000000,  0.851911900000000,  0.250000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 69    coordinates: [  0.351911900000000,  0.351911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 70    coordinates: [  0.851911900000000,  0.351911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 71    coordinates: [  0.351911900000000,  0.851911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 72    coordinates: [  0.851911900000000,  0.851911900000000,  0.750000000000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 73    coordinates: [  0.398088100000000,  0.398088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 74    coordinates: [  0.898088100000000,  0.398088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 75    coordinates: [  0.398088100000000,  0.898088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 76    coordinates: [  0.898088100000000,  0.898088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 77    coordinates: [  0.398088100000000,  0.398088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 78    coordinates: [  0.898088100000000,  0.398088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 79    coordinates: [  0.398088100000000,  0.898088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 80    coordinates: [  0.898088100000000,  0.898088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 81    coordinates: [  0.398088100000000,  0.101911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 82    coordinates: [  0.898088100000000,  0.101911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 83    coordinates: [  0.398088100000000,  0.601911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 84    coordinates: [  0.898088100000000,  0.601911900000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 85    coordinates: [  0.398088100000000,  0.101911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 86    coordinates: [  0.898088100000000,  0.101911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 87    coordinates: [  0.398088100000000,  0.601911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 88    coordinates: [  0.898088100000000,  0.601911900000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 89    coordinates: [  0.101911900000000,  0.398088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 90    coordinates: [  0.601911900000000,  0.398088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 91    coordinates: [  0.101911900000000,  0.898088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 92    coordinates: [  0.601911900000000,  0.898088100000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 93    coordinates: [  0.101911900000000,  0.398088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 94    coordinates: [  0.601911900000000,  0.398088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 95    coordinates: [  0.101911900000000,  0.898088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 96    coordinates: [  0.601911900000000,  0.898088100000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 57  - symbol: Pd # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 105    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 106    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 107    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 108    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 109    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 110    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 111    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 106.420000    reduced_to: 97  - symbol: Pd # 112    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 106.420000    reduced_to: 97born_effective_charge:- # 1 (K)  - [  1.030964040000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.030964040000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.095279420000000 ]- # 2 (K)  - [  1.030964040000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.030964040000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.095279420000000 ]- # 3 (H)  - [ -0.447067490000000, -0.468548950000000, -0.000000000000000 ]  - [ -0.468548950000000, -0.447067490000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.246548510000000 ]- # 4 (H)  - [ -0.447067490000000, -0.468548950000000, -0.000000000000000 ]  - [ -0.468548950000000, -0.447067490000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.246548510000000 ]- # 5 (H)  - [ -0.447067490000000,  0.468548950000000, -0.000000000000000 ]  - [  0.468548950000000, -0.447067490000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.246548510000000 ]- # 6 (H)  - [ -0.447067490000000,  0.468548950000000, -0.000000000000000 ]  - [  0.468548950000000, -0.447067490000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.246548510000000 ]- # 7 (Pd)  - [ -0.273658120000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.273658120000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.204364780000000 ]dielectric_constant:  - [  3.057510270000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.057510270000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.842351970000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0176893500000000,  0.0000000000000000,  0.0001373000000000 ]  - [   0.0012164800000000,  0.0000000000000000,  0.0000000500000000 ]  - 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