# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/664cb5e8-ea56-44c5-a86f-02d2009311d6/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 SnS / Pnma (62) / materials id 2231](https://mdr.nims.go.jp/datasets/87374a06-ee1e-4591-8103-3a2f2d6c8da9)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [    11.094824600000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.979902970000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.218169160000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.352917180000000,  0.250000000000000,  0.022456130000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.647082820000000,  0.750000000000000,  0.977543870000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.147082820000000,  0.750000000000000,  0.522456130000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.852917180000000,  0.250000000000000,  0.477543870000000 ]    mass: 32.065000  - symbol: Sn # 5    coordinates: [  0.618304840000000,  0.250000000000000,  0.393278310000000 ]    mass: 118.710000  - symbol: Sn # 6    coordinates: [  0.381695160000000,  0.750000000000000,  0.606721690000000 ]    mass: 118.710000  - symbol: Sn # 7    coordinates: [  0.881695160000000,  0.750000000000000,  0.893278310000000 ]    mass: 118.710000  - symbol: Sn # 8    coordinates: [  0.118304840000000,  0.250000000000000,  0.106721690000000 ]    mass: 118.710000  reciprocal_lattice: # without 2pi  - [     0.090132114391425,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.251262407033004,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.237069676930643 ] # c*unit_cell:  lattice:  - [    11.094824600000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.979902970000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.218169160000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.352917180000000,  0.250000000000000,  0.022456130000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.647082820000000,  0.750000000000000,  0.977543870000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.147082820000000,  0.750000000000000,  0.522456130000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.852917180000000,  0.250000000000000,  0.477543870000000 ]    mass: 32.065000    reduced_to: 4  - symbol: Sn # 5    coordinates: [  0.618304840000000,  0.250000000000000,  0.393278310000000 ]    mass: 118.710000    reduced_to: 5  - symbol: Sn # 6    coordinates: [  0.381695160000000,  0.750000000000000,  0.606721690000000 ]    mass: 118.710000    reduced_to: 6  - symbol: Sn # 7    coordinates: [  0.881695160000000,  0.750000000000000,  0.893278310000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 8    coordinates: [  0.118304840000000,  0.250000000000000,  0.106721690000000 ]    mass: 118.710000    reduced_to: 8supercell:  lattice:  - [    22.189649200000002,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.939708910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.654507480000001 ] # c  points:  - symbol: S  # 1    coordinates: [  0.176458590000000,  0.083333333333333,  0.007485376666667 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.676458590000000,  0.083333333333333,  0.007485376666667 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.176458590000000,  0.416666666666667,  0.007485376666667 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.676458590000000,  0.416666666666667,  0.007485376666667 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.176458590000000,  0.750000000000000,  0.007485376666667 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.676458590000000,  0.750000000000000,  0.007485376666667 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 7    coordinates: [  0.176458590000000,  0.083333333333333,  0.340818710000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 8    coordinates: [  0.676458590000000,  0.083333333333333,  0.340818710000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 9    coordinates: [  0.176458590000000,  0.416666666666667,  0.340818710000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 10    coordinates: [  0.676458590000000,  0.416666666666667,  0.340818710000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 11    coordinates: [  0.176458590000000,  0.750000000000000,  0.340818710000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 12    coordinates: [  0.676458590000000,  0.750000000000000,  0.340818710000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 13    coordinates: [  0.176458590000000,  0.083333333333333,  0.674152043333333 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 14    coordinates: [  0.676458590000000,  0.083333333333333,  0.674152043333333 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 15    coordinates: [  0.176458590000000,  0.416666666666667,  0.674152043333333 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 16    coordinates: [  0.676458590000000,  0.416666666666667,  0.674152043333333 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 17    coordinates: [  0.176458590000000,  0.750000000000000,  0.674152043333333 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 18    coordinates: [  0.676458590000000,  0.750000000000000,  0.674152043333333 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 19    coordinates: [  0.323541410000000,  0.250000000000000,  0.325847956666667 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.823541410000000,  0.250000000000000,  0.325847956666667 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 21    coordinates: [  0.323541410000000,  0.583333333333333,  0.325847956666667 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 22    coordinates: [  0.823541410000000,  0.583333333333333,  0.325847956666667 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 23    coordinates: [  0.323541410000000,  0.916666666666667,  0.325847956666667 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 24    coordinates: [  0.823541410000000,  0.916666666666667,  0.325847956666667 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 25    coordinates: [  0.323541410000000,  0.250000000000000,  0.659181290000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 26    coordinates: [  0.823541410000000,  0.250000000000000,  0.659181290000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 27    coordinates: [  0.323541410000000,  0.583333333333333,  0.659181290000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 28    coordinates: [  0.823541410000000,  0.583333333333333,  0.659181290000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 29    coordinates: [  0.323541410000000,  0.916666666666667,  0.659181290000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 30    coordinates: [  0.823541410000000,  0.916666666666667,  0.659181290000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 31    coordinates: [  0.323541410000000,  0.250000000000000,  0.992514623333333 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 32    coordinates: [  0.823541410000000,  0.250000000000000,  0.992514623333333 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 33    coordinates: [  0.323541410000000,  0.583333333333333,  0.992514623333333 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 34    coordinates: [  0.823541410000000,  0.583333333333333,  0.992514623333333 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 35    coordinates: [  0.323541410000000,  0.916666666666667,  0.992514623333333 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 36    coordinates: [  0.823541410000000,  0.916666666666667,  0.992514623333333 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 37    coordinates: [  0.073541410000000,  0.250000000000000,  0.174152043333333 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.573541410000000,  0.250000000000000,  0.174152043333333 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.073541410000000,  0.583333333333333,  0.174152043333333 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 40    coordinates: [  0.573541410000000,  0.583333333333333,  0.174152043333333 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 41    coordinates: [  0.073541410000000,  0.916666666666667,  0.174152043333333 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 42    coordinates: [  0.573541410000000,  0.916666666666667,  0.174152043333333 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 43    coordinates: [  0.073541410000000,  0.250000000000000,  0.507485376666667 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 44    coordinates: [  0.573541410000000,  0.250000000000000,  0.507485376666667 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 45    coordinates: [  0.073541410000000,  0.583333333333333,  0.507485376666667 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 46    coordinates: [  0.573541410000000,  0.583333333333333,  0.507485376666667 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 47    coordinates: [  0.073541410000000,  0.916666666666667,  0.507485376666667 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 48    coordinates: [  0.573541410000000,  0.916666666666667,  0.507485376666667 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 49    coordinates: [  0.073541410000000,  0.250000000000000,  0.840818710000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 50    coordinates: [  0.573541410000000,  0.250000000000000,  0.840818710000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 51    coordinates: [  0.073541410000000,  0.583333333333333,  0.840818710000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 52    coordinates: [  0.573541410000000,  0.583333333333333,  0.840818710000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 53    coordinates: [  0.073541410000000,  0.916666666666667,  0.840818710000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 54    coordinates: [  0.573541410000000,  0.916666666666667,  0.840818710000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 55    coordinates: [  0.426458590000000,  0.083333333333333,  0.159181290000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.926458590000000,  0.083333333333333,  0.159181290000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.426458590000000,  0.416666666666667,  0.159181290000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 58    coordinates: [  0.926458590000000,  0.416666666666667,  0.159181290000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 59    coordinates: [  0.426458590000000,  0.750000000000000,  0.159181290000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 60    coordinates: [  0.926458590000000,  0.750000000000000,  0.159181290000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 61    coordinates: [  0.426458590000000,  0.083333333333333,  0.492514623333333 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 62    coordinates: [  0.926458590000000,  0.083333333333333,  0.492514623333333 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 63    coordinates: [  0.426458590000000,  0.416666666666667,  0.492514623333333 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 64    coordinates: [  0.926458590000000,  0.416666666666667,  0.492514623333333 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 65    coordinates: [  0.426458590000000,  0.750000000000000,  0.492514623333333 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 66    coordinates: [  0.926458590000000,  0.750000000000000,  0.492514623333333 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 67    coordinates: [  0.426458590000000,  0.083333333333333,  0.825847956666667 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 68    coordinates: [  0.926458590000000,  0.083333333333333,  0.825847956666667 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 69    coordinates: [  0.426458590000000,  0.416666666666667,  0.825847956666667 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 70    coordinates: [  0.926458590000000,  0.416666666666667,  0.825847956666667 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 71    coordinates: [  0.426458590000000,  0.750000000000000,  0.825847956666667 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 72    coordinates: [  0.926458590000000,  0.750000000000000,  0.825847956666667 ]    mass: 32.065000    reduced_to: 55  - symbol: Sn # 73    coordinates: [  0.309152420000000,  0.083333333333333,  0.131092770000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 74    coordinates: [  0.809152420000000,  0.083333333333333,  0.131092770000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 75    coordinates: [  0.309152420000000,  0.416666666666667,  0.131092770000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 76    coordinates: [  0.809152420000000,  0.416666666666667,  0.131092770000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 77    coordinates: [  0.309152420000000,  0.750000000000000,  0.131092770000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 78    coordinates: [  0.809152420000000,  0.750000000000000,  0.131092770000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 79    coordinates: [  0.309152420000000,  0.083333333333333,  0.464426103333333 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 80    coordinates: [  0.809152420000000,  0.083333333333333,  0.464426103333333 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 81    coordinates: [  0.309152420000000,  0.416666666666667,  0.464426103333333 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 82    coordinates: [  0.809152420000000,  0.416666666666667,  0.464426103333333 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 83    coordinates: [  0.309152420000000,  0.750000000000000,  0.464426103333333 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 84    coordinates: [  0.809152420000000,  0.750000000000000,  0.464426103333333 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 85    coordinates: [  0.309152420000000,  0.083333333333333,  0.797759436666667 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 86    coordinates: [  0.809152420000000,  0.083333333333333,  0.797759436666667 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 87    coordinates: [  0.309152420000000,  0.416666666666667,  0.797759436666667 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 88    coordinates: [  0.809152420000000,  0.416666666666667,  0.797759436666667 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 89    coordinates: [  0.309152420000000,  0.750000000000000,  0.797759436666667 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 90    coordinates: [  0.809152420000000,  0.750000000000000,  0.797759436666667 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 91    coordinates: [  0.190847580000000,  0.250000000000000,  0.202240563333333 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 92    coordinates: [  0.690847580000000,  0.250000000000000,  0.202240563333333 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 93    coordinates: [  0.190847580000000,  0.583333333333333,  0.202240563333333 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 94    coordinates: [  0.690847580000000,  0.583333333333333,  0.202240563333333 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 95    coordinates: [  0.190847580000000,  0.916666666666667,  0.202240563333333 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 96    coordinates: [  0.690847580000000,  0.916666666666667,  0.202240563333333 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 97    coordinates: [  0.190847580000000,  0.250000000000000,  0.535573896666667 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 98    coordinates: [  0.690847580000000,  0.250000000000000,  0.535573896666667 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 99    coordinates: [  0.190847580000000,  0.583333333333333,  0.535573896666667 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 100    coordinates: [  0.690847580000000,  0.583333333333333,  0.535573896666667 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 101    coordinates: [  0.190847580000000,  0.916666666666667,  0.535573896666667 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 102    coordinates: [  0.690847580000000,  0.916666666666667,  0.535573896666667 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 103    coordinates: [  0.190847580000000,  0.250000000000000,  0.868907230000000 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 104    coordinates: [  0.690847580000000,  0.250000000000000,  0.868907230000000 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 105    coordinates: [  0.190847580000000,  0.583333333333333,  0.868907230000000 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 106    coordinates: [  0.690847580000000,  0.583333333333333,  0.868907230000000 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 107    coordinates: [  0.190847580000000,  0.916666666666667,  0.868907230000000 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 108    coordinates: [  0.690847580000000,  0.916666666666667,  0.868907230000000 ]    mass: 118.710000    reduced_to: 91  - symbol: Sn # 109    coordinates: [  0.440847580000000,  0.250000000000000,  0.297759436666667 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 110    coordinates: [  0.940847580000000,  0.250000000000000,  0.297759436666667 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 111    coordinates: [  0.440847580000000,  0.583333333333333,  0.297759436666667 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 112    coordinates: [  0.940847580000000,  0.583333333333333,  0.297759436666667 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 113    coordinates: [  0.440847580000000,  0.916666666666667,  0.297759436666667 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 114    coordinates: [  0.940847580000000,  0.916666666666667,  0.297759436666667 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 115    coordinates: [  0.440847580000000,  0.250000000000000,  0.631092770000000 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 116    coordinates: [  0.940847580000000,  0.250000000000000,  0.631092770000000 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 117    coordinates: [  0.440847580000000,  0.583333333333333,  0.631092770000000 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 118    coordinates: [  0.940847580000000,  0.583333333333333,  0.631092770000000 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 119    coordinates: [  0.440847580000000,  0.916666666666667,  0.631092770000000 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 120    coordinates: [  0.940847580000000,  0.916666666666667,  0.631092770000000 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 121    coordinates: [  0.440847580000000,  0.250000000000000,  0.964426103333333 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 122    coordinates: [  0.940847580000000,  0.250000000000000,  0.964426103333333 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 123    coordinates: [  0.440847580000000,  0.583333333333333,  0.964426103333333 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 124    coordinates: [  0.940847580000000,  0.583333333333333,  0.964426103333333 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 125    coordinates: [  0.440847580000000,  0.916666666666667,  0.964426103333333 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 126    coordinates: [  0.940847580000000,  0.916666666666667,  0.964426103333333 ]    mass: 118.710000    reduced_to: 109  - symbol: Sn # 127    coordinates: [  0.059152420000000,  0.083333333333333,  0.035573896666667 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 128    coordinates: [  0.559152420000000,  0.083333333333333,  0.035573896666667 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 129    coordinates: [  0.059152420000000,  0.416666666666667,  0.035573896666667 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 130    coordinates: [  0.559152420000000,  0.416666666666667,  0.035573896666667 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 131    coordinates: [  0.059152420000000,  0.750000000000000,  0.035573896666667 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 132    coordinates: [  0.559152420000000,  0.750000000000000,  0.035573896666667 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 133    coordinates: [  0.059152420000000,  0.083333333333333,  0.368907230000000 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 134    coordinates: [  0.559152420000000,  0.083333333333333,  0.368907230000000 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 135    coordinates: [  0.059152420000000,  0.416666666666667,  0.368907230000000 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 136    coordinates: [  0.559152420000000,  0.416666666666667,  0.368907230000000 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 137    coordinates: [  0.059152420000000,  0.750000000000000,  0.368907230000000 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 138    coordinates: [  0.559152420000000,  0.750000000000000,  0.368907230000000 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 139    coordinates: [  0.059152420000000,  0.083333333333333,  0.702240563333333 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 140    coordinates: [  0.559152420000000,  0.083333333333333,  0.702240563333333 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 141    coordinates: [  0.059152420000000,  0.416666666666667,  0.702240563333333 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 142    coordinates: [  0.559152420000000,  0.416666666666667,  0.702240563333333 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 143    coordinates: [  0.059152420000000,  0.750000000000000,  0.702240563333333 ]    mass: 118.710000    reduced_to: 127  - symbol: Sn # 144    coordinates: [  0.559152420000000,  0.750000000000000,  0.702240563333333 ]    mass: 118.710000    reduced_to: 127born_effective_charge:- # 1 (S)  - [ -4.128937500000000,  0.000000000000000,  0.945682750000000 ]  - [  0.000000000000000, -4.334329940000000,  0.000000000000000 ]  - [  0.438355910000000,  0.000000000000000, -3.484437580000000 ]- # 2 (S)  - [ -4.128937500000000,  0.000000000000000,  0.945682750000000 ]  - [  0.000000000000000, -4.334329940000000,  0.000000000000000 ]  - [  0.438355910000000,  0.000000000000000, -3.484437580000000 ]- # 3 (S)  - [ -4.128937500000000,  0.000000000000000, -0.945682750000000 ]  - [  0.000000000000000, -4.334329940000000,  0.000000000000000 ]  - [ -0.438355910000000,  0.000000000000000, -3.484437580000000 ]- # 4 (S)  - [ -4.128937500000000,  0.000000000000000, -0.945682750000000 ]  - [  0.000000000000000, -4.334329940000000,  0.000000000000000 ]  - [ -0.438355910000000,  0.000000000000000, -3.484437580000000 ]- # 5 (Sn)  - [  4.128937500000000,  0.000000000000000, -0.329575590000000 ]  - [  0.000000000000000,  4.334329940000000,  0.000000000000000 ]  - [  0.577022240000000,  0.000000000000000,  3.484437580000000 ]- # 6 (Sn)  - [  4.128937500000000,  0.000000000000000, -0.329575590000000 ]  - [  0.000000000000000,  4.334329940000000,  0.000000000000000 ]  - [  0.577022240000000,  0.000000000000000,  3.484437580000000 ]- # 7 (Sn)  - [  4.128937500000000,  0.000000000000000,  0.329575590000000 ]  - [  0.000000000000000,  4.334329940000000,  0.000000000000000 ]  - [ -0.577022240000000,  0.000000000000000,  3.484437580000000 ]- # 8 (Sn)  - [  4.128937500000000,  0.000000000000000,  0.329575590000000 ]  - [  0.000000000000000,  4.334329940000000,  0.000000000000000 ]  - [ -0.577022240000000,  0.000000000000000,  3.484437580000000 ]dielectric_constant:  - [ 22.615855660000001,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 18.659885339999999,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 18.531289050000002 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0537418900000000,  0.0000000000000000,  0.0095800500000000 ]  - [  -0.0013001500000000,  0.0000000000000000,  0.0046124900000000 ]  - [  -0.0037334800000000,  0.0003111000000000,  0.0057018900000000 ]  - [  -0.0024268800000000, -0.0000105600000000,  0.0047528100000000 ]  - [  -0.0037334800000000, -0.0003111000000000,  0.0057018900000000 ]  - [  -0.0024268800000000,  0.0000105600000000,  0.0047528100000000 ]  - [  -0.0031981500000000,  0.0000000000000000,  0.0048699700000000 ]  - [  -0.0024377900000000,  0.0000000000000000,  0.0047295600000000 ]  - [  -0.0034235800000000,  0.0003777400000000,  0.0051578100000000 ]  - [  -0.0023376200000000, -0.0000946300000000,  0.0046699400000000 ]  - 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[   0.0498451800000000,  0.0000000000000000, -0.0002424300000000 ]  - [  -0.0043209900000000,  0.0000000000000000,  0.0050232400000000 ]  - [  -0.0018854000000000, -0.0003195600000000,  0.0039264300000000 ]  - [  -0.0031958100000000,  0.0000109900000000,  0.0048831300000000 ]  - [  -0.0018854000000000,  0.0003195600000000,  0.0039264300000000 ]  - [  -0.0031958100000000, -0.0000109900000000,  0.0048831300000000 ]  - [  -0.0024044900000000,  0.0000000000000000,  0.0047691400000000 ]  - [  -0.0031671900000000,  0.0000000000000000,  0.0049080100000000 ]  - [  -0.0021771400000000, -0.0003853100000000,  0.0044725800000000 ]  - [  -0.0032680300000000,  0.0000964100000000,  0.0049689300000000 ]  - [  -0.0021771400000000,  0.0003853100000000,  0.0044725800000000 ]  - [  -0.0032680300000000, -0.0000964100000000,  0.0049689300000000 ]  - [  -0.0024111900000000,  0.0000000000000000,  0.0047475800000000 ]  - [  -0.0031736700000000,  0.0000000000000000,  0.0048716100000000 ]  - [  -0.0021834300000000, -0.0011234400000000,  0.0061681700000000 ]  - 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