# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fdcf401d-c79a-411a-980a-9c7b00524deb/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 Sr2SnHg / Fm-3m (225) / materials id 867169](https://mdr.nims.go.jp/datasets/f9de7d74-c3fe-4fda-9840-8c0d236521df)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     3.963329345000000,     3.963329345000000 ] # a  - [     3.963329345000000,     0.000000000000000,     3.963329345000000 ] # b  - [     3.963329345000000,     3.963329345000000,     0.000000000000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Sn # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000  - symbol: Hg # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000  reciprocal_lattice: # without 2pi  - [    -0.126156560930467,     0.126156560930467,     0.126156560930467 ] # a*  - [     0.126156560930467,    -0.126156560930467,     0.126156560930467 ] # b*  - [     0.126156560930467,     0.126156560930467,    -0.126156560930467 ] # c*unit_cell:  lattice:  - [     7.926658690000000,    -0.000000000000000,    -0.000000000000000 ] # a  - [    -0.000000000000000,     7.926658690000000,    -0.000000000000000 ] # b  - [    -0.000000000000000,    -0.000000000000000,     7.926658690000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Sn # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Sn # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Sn # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Hg # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 13  - symbol: Hg # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 13  - symbol: Hg # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 13  - symbol: Hg # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 13supercell:  lattice:  - [    15.853317380000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.853317380000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.853317380000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 5    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 7    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 9    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 10    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 11    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 12    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 13    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 14    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 15    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 16    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 17    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 18    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 19    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 20    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 21    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 22    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 23    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 24    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 25    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 26    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 27    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 28    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 29    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 30    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 31    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 32    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 33    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 34    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 35    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 36    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 37    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 38    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 39    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 40    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 41    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 42    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 43    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 44    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 45    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 46    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 47    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 48    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 49    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 50    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 51    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 52    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 53    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 54    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 55    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 56    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 57    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 58    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 59    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 60    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 61    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 62    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 63    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 64    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sn # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 73    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 74    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 75    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 76    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 78    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 79    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 80    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 81    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 82    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 83    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 84    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 85    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 86    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 87    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 88    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 89    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 90    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 91    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 92    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 93    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 94    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 95    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Sn # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 65  - symbol: Hg # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 105    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 106    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 107    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 108    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 109    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 110    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 111    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 112    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 113    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 114    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 115    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 116    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 117    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 118    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 119    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 120    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 121    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 122    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 123    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 124    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 125    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 126    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 127    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97  - symbol: Hg # 128    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 97born_effective_charge:- # 1 (Sr)  - [  4.029615920000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  4.029615920000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  4.029615920000000 ]- # 2 (Sr)  - [  4.029615920000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  4.029615920000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  4.029615920000000 ]- # 3 (Sn)  - [ -7.098585360000001,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -7.098585360000001, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -7.098585360000001 ]- # 4 (Hg)  - [ -0.960646490000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.960646490000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.960646490000000 ]dielectric_constant:  - 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