# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ba7ed2b9-742e-4665-b03f-80a488d1c251/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 SrLiSb / Pnma (62) / materials id 7756](https://mdr.nims.go.jp/datasets/2ebaf52a-64b6-493b-87b2-3777cf111e0b)

## 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,   2 ]primitive_cell:  lattice:  - [     7.952036010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.799531549999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.361965650000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.840733160000000,  0.750000000000000,  0.923569590000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.159266840000000,  0.250000000000000,  0.076430410000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.340733160000000,  0.750000000000000,  0.576430410000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.659266840000000,  0.250000000000000,  0.423569590000000 ]    mass: 6.941000  - symbol: Sr # 5    coordinates: [  0.997118670000000,  0.750000000000000,  0.292487320000000 ]    mass: 87.620000  - symbol: Sr # 6    coordinates: [  0.002881330000000,  0.250000000000000,  0.707512680000000 ]    mass: 87.620000  - symbol: Sr # 7    coordinates: [  0.497118670000000,  0.750000000000000,  0.207512680000000 ]    mass: 87.620000  - symbol: Sr # 8    coordinates: [  0.502881330000000,  0.250000000000000,  0.792487320000000 ]    mass: 87.620000  - symbol: Sb # 9    coordinates: [  0.778679860000000,  0.250000000000000,  0.093468570000000 ]    mass: 121.760000  - symbol: Sb # 10    coordinates: [  0.221320140000000,  0.750000000000000,  0.906531430000000 ]    mass: 121.760000  - symbol: Sb # 11    coordinates: [  0.278679860000000,  0.250000000000000,  0.406531430000000 ]    mass: 121.760000  - symbol: Sb # 12    coordinates: [  0.721320140000000,  0.750000000000000,  0.593468570000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.125753957696175,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.208353667349056,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.119589106420211 ] # c*unit_cell:  lattice:  - [     7.952036010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.799531550000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.361965650000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.840733160000000,  0.750000000000000,  0.923569590000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.159266840000000,  0.250000000000000,  0.076430410000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.340733160000000,  0.750000000000000,  0.576430410000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.659266840000000,  0.250000000000000,  0.423569590000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Sr # 5    coordinates: [  0.997118670000000,  0.750000000000000,  0.292487320000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 6    coordinates: [  0.002881330000000,  0.250000000000000,  0.707512680000000 ]    mass: 87.620000    reduced_to: 6  - symbol: Sr # 7    coordinates: [  0.497118670000000,  0.750000000000000,  0.207512680000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 8    coordinates: [  0.502881330000000,  0.250000000000000,  0.792487320000000 ]    mass: 87.620000    reduced_to: 8  - symbol: Sb # 9    coordinates: [  0.778679860000000,  0.250000000000000,  0.093468570000000 ]    mass: 121.760000    reduced_to: 9  - symbol: Sb # 10    coordinates: [  0.221320140000000,  0.750000000000000,  0.906531430000000 ]    mass: 121.760000    reduced_to: 10  - symbol: Sb # 11    coordinates: [  0.278679860000000,  0.250000000000000,  0.406531430000000 ]    mass: 121.760000    reduced_to: 11  - symbol: Sb # 12    coordinates: [  0.721320140000000,  0.750000000000000,  0.593468570000000 ]    mass: 121.760000    reduced_to: 12supercell:  lattice:  - [    15.904072019999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.398594650000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.723931300000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.420366580000000,  0.250000000000000,  0.461784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.920366580000000,  0.250000000000000,  0.461784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.420366580000000,  0.583333333333333,  0.461784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.920366580000000,  0.583333333333333,  0.461784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.420366580000000,  0.916666666666667,  0.461784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.920366580000000,  0.916666666666667,  0.461784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.420366580000000,  0.250000000000000,  0.961784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.920366580000000,  0.250000000000000,  0.961784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.420366580000000,  0.583333333333333,  0.961784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.920366580000000,  0.583333333333333,  0.961784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.420366580000000,  0.916666666666667,  0.961784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.920366580000000,  0.916666666666667,  0.961784795000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 13    coordinates: [  0.079633420000000,  0.083333333333333,  0.038215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.579633420000000,  0.083333333333333,  0.038215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 15    coordinates: [  0.079633420000000,  0.416666666666667,  0.038215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 16    coordinates: [  0.579633420000000,  0.416666666666667,  0.038215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 17    coordinates: [  0.079633420000000,  0.750000000000000,  0.038215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 18    coordinates: [  0.579633420000000,  0.750000000000000,  0.038215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 19    coordinates: [  0.079633420000000,  0.083333333333333,  0.538215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 20    coordinates: [  0.579633420000000,  0.083333333333333,  0.538215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 21    coordinates: [  0.079633420000000,  0.416666666666667,  0.538215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 22    coordinates: [  0.579633420000000,  0.416666666666667,  0.538215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 23    coordinates: [  0.079633420000000,  0.750000000000000,  0.538215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 24    coordinates: [  0.579633420000000,  0.750000000000000,  0.538215205000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 25    coordinates: [  0.170366580000000,  0.250000000000000,  0.288215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 26    coordinates: [  0.670366580000000,  0.250000000000000,  0.288215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 27    coordinates: [  0.170366580000000,  0.583333333333333,  0.288215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 28    coordinates: [  0.670366580000000,  0.583333333333333,  0.288215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 29    coordinates: [  0.170366580000000,  0.916666666666667,  0.288215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 30    coordinates: [  0.670366580000000,  0.916666666666667,  0.288215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 31    coordinates: [  0.170366580000000,  0.250000000000000,  0.788215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 32    coordinates: [  0.670366580000000,  0.250000000000000,  0.788215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 33    coordinates: [  0.170366580000000,  0.583333333333333,  0.788215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 34    coordinates: [  0.670366580000000,  0.583333333333333,  0.788215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 35    coordinates: [  0.170366580000000,  0.916666666666667,  0.788215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 36    coordinates: [  0.670366580000000,  0.916666666666667,  0.788215205000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 37    coordinates: [  0.329633420000000,  0.083333333333333,  0.211784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.829633420000000,  0.083333333333333,  0.211784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 39    coordinates: [  0.329633420000000,  0.416666666666667,  0.211784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.829633420000000,  0.416666666666667,  0.211784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 41    coordinates: [  0.329633420000000,  0.750000000000000,  0.211784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 42    coordinates: [  0.829633420000000,  0.750000000000000,  0.211784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 43    coordinates: [  0.329633420000000,  0.083333333333333,  0.711784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 44    coordinates: [  0.829633420000000,  0.083333333333333,  0.711784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 45    coordinates: [  0.329633420000000,  0.416666666666667,  0.711784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 46    coordinates: [  0.829633420000000,  0.416666666666667,  0.711784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 47    coordinates: [  0.329633420000000,  0.750000000000000,  0.711784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 48    coordinates: [  0.829633420000000,  0.750000000000000,  0.711784795000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Sr # 49    coordinates: [  0.498559335000000,  0.250000000000000,  0.146243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 50    coordinates: [  0.998559335000000,  0.250000000000000,  0.146243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 51    coordinates: [  0.498559335000000,  0.583333333333333,  0.146243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 52    coordinates: [  0.998559335000000,  0.583333333333333,  0.146243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 53    coordinates: [  0.498559335000000,  0.916666666666667,  0.146243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 54    coordinates: [  0.998559335000000,  0.916666666666667,  0.146243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 55    coordinates: [  0.498559335000000,  0.250000000000000,  0.646243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 56    coordinates: [  0.998559335000000,  0.250000000000000,  0.646243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 57    coordinates: [  0.498559335000000,  0.583333333333333,  0.646243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 58    coordinates: [  0.998559335000000,  0.583333333333333,  0.646243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 59    coordinates: [  0.498559335000000,  0.916666666666667,  0.646243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 60    coordinates: [  0.998559335000000,  0.916666666666667,  0.646243660000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 61    coordinates: [  0.001440665000000,  0.083333333333333,  0.353756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 62    coordinates: [  0.501440665000000,  0.083333333333333,  0.353756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 63    coordinates: [  0.001440665000000,  0.416666666666667,  0.353756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 64    coordinates: [  0.501440665000000,  0.416666666666667,  0.353756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 65    coordinates: [  0.001440665000000,  0.750000000000000,  0.353756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 66    coordinates: [  0.501440665000000,  0.750000000000000,  0.353756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 67    coordinates: [  0.001440665000000,  0.083333333333333,  0.853756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 68    coordinates: [  0.501440665000000,  0.083333333333333,  0.853756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 69    coordinates: [  0.001440665000000,  0.416666666666667,  0.853756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 70    coordinates: [  0.501440665000000,  0.416666666666667,  0.853756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 71    coordinates: [  0.001440665000000,  0.750000000000000,  0.853756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 72    coordinates: [  0.501440665000000,  0.750000000000000,  0.853756340000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 73    coordinates: [  0.248559335000000,  0.250000000000000,  0.103756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 74    coordinates: [  0.748559335000000,  0.250000000000000,  0.103756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 75    coordinates: [  0.248559335000000,  0.583333333333333,  0.103756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 76    coordinates: [  0.748559335000000,  0.583333333333333,  0.103756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 77    coordinates: [  0.248559335000000,  0.916666666666667,  0.103756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 78    coordinates: [  0.748559335000000,  0.916666666666667,  0.103756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 79    coordinates: [  0.248559335000000,  0.250000000000000,  0.603756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 80    coordinates: [  0.748559335000000,  0.250000000000000,  0.603756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 81    coordinates: [  0.248559335000000,  0.583333333333333,  0.603756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 82    coordinates: [  0.748559335000000,  0.583333333333333,  0.603756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 83    coordinates: [  0.248559335000000,  0.916666666666667,  0.603756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 84    coordinates: [  0.748559335000000,  0.916666666666667,  0.603756340000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 85    coordinates: [  0.251440665000000,  0.083333333333333,  0.396243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 86    coordinates: [  0.751440665000000,  0.083333333333333,  0.396243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 87    coordinates: [  0.251440665000000,  0.416666666666667,  0.396243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 88    coordinates: [  0.751440665000000,  0.416666666666667,  0.396243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 89    coordinates: [  0.251440665000000,  0.750000000000000,  0.396243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 90    coordinates: [  0.751440665000000,  0.750000000000000,  0.396243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 91    coordinates: [  0.251440665000000,  0.083333333333333,  0.896243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 92    coordinates: [  0.751440665000000,  0.083333333333333,  0.896243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 93    coordinates: [  0.251440665000000,  0.416666666666667,  0.896243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 94    coordinates: [  0.751440665000000,  0.416666666666667,  0.896243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 95    coordinates: [  0.251440665000000,  0.750000000000000,  0.896243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sr # 96    coordinates: [  0.751440665000000,  0.750000000000000,  0.896243660000000 ]    mass: 87.620000    reduced_to: 85  - symbol: Sb # 97    coordinates: [  0.389339930000000,  0.083333333333333,  0.046734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 98    coordinates: [  0.889339930000000,  0.083333333333333,  0.046734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 99    coordinates: [  0.389339930000000,  0.416666666666667,  0.046734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 100    coordinates: [  0.889339930000000,  0.416666666666667,  0.046734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 101    coordinates: [  0.389339930000000,  0.750000000000000,  0.046734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 102    coordinates: [  0.889339930000000,  0.750000000000000,  0.046734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 103    coordinates: [  0.389339930000000,  0.083333333333333,  0.546734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 104    coordinates: [  0.889339930000000,  0.083333333333333,  0.546734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 105    coordinates: [  0.389339930000000,  0.416666666666667,  0.546734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 106    coordinates: [  0.889339930000000,  0.416666666666667,  0.546734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 107    coordinates: [  0.389339930000000,  0.750000000000000,  0.546734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 108    coordinates: [  0.889339930000000,  0.750000000000000,  0.546734285000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 109    coordinates: [  0.110660070000000,  0.250000000000000,  0.453265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 110    coordinates: [  0.610660070000000,  0.250000000000000,  0.453265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 111    coordinates: [  0.110660070000000,  0.583333333333333,  0.453265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 112    coordinates: [  0.610660070000000,  0.583333333333333,  0.453265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 113    coordinates: [  0.110660070000000,  0.916666666666667,  0.453265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 114    coordinates: [  0.610660070000000,  0.916666666666667,  0.453265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 115    coordinates: [  0.110660070000000,  0.250000000000000,  0.953265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 116    coordinates: [  0.610660070000000,  0.250000000000000,  0.953265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 117    coordinates: [  0.110660070000000,  0.583333333333333,  0.953265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 118    coordinates: [  0.610660070000000,  0.583333333333333,  0.953265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 119    coordinates: [  0.110660070000000,  0.916666666666667,  0.953265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 120    coordinates: [  0.610660070000000,  0.916666666666667,  0.953265715000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 121    coordinates: [  0.139339930000000,  0.083333333333333,  0.203265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 122    coordinates: [  0.639339930000000,  0.083333333333333,  0.203265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 123    coordinates: [  0.139339930000000,  0.416666666666667,  0.203265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 124    coordinates: [  0.639339930000000,  0.416666666666667,  0.203265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 125    coordinates: [  0.139339930000000,  0.750000000000000,  0.203265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 126    coordinates: [  0.639339930000000,  0.750000000000000,  0.203265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 127    coordinates: [  0.139339930000000,  0.083333333333333,  0.703265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 128    coordinates: [  0.639339930000000,  0.083333333333333,  0.703265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 129    coordinates: [  0.139339930000000,  0.416666666666667,  0.703265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 130    coordinates: [  0.639339930000000,  0.416666666666667,  0.703265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 131    coordinates: [  0.139339930000000,  0.750000000000000,  0.703265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 132    coordinates: [  0.639339930000000,  0.750000000000000,  0.703265715000000 ]    mass: 121.760000    reduced_to: 121  - symbol: Sb # 133    coordinates: [  0.360660070000000,  0.250000000000000,  0.296734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 134    coordinates: [  0.860660070000000,  0.250000000000000,  0.296734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 135    coordinates: [  0.360660070000000,  0.583333333333333,  0.296734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 136    coordinates: [  0.860660070000000,  0.583333333333333,  0.296734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 137    coordinates: [  0.360660070000000,  0.916666666666667,  0.296734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 138    coordinates: [  0.860660070000000,  0.916666666666667,  0.296734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 139    coordinates: [  0.360660070000000,  0.250000000000000,  0.796734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 140    coordinates: [  0.860660070000000,  0.250000000000000,  0.796734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 141    coordinates: [  0.360660070000000,  0.583333333333333,  0.796734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 142    coordinates: [  0.860660070000000,  0.583333333333333,  0.796734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 143    coordinates: [  0.360660070000000,  0.916666666666667,  0.796734285000000 ]    mass: 121.760000    reduced_to: 133  - symbol: Sb # 144    coordinates: [  0.860660070000000,  0.916666666666667,  0.796734285000000 ]    mass: 121.760000    reduced_to: 133born_effective_charge:- # 1 (Li)  - [  0.872566850000000,  0.000000000000000,  0.097628590000000 ]  - [  0.000000000000000,  0.964231840000000,  0.000000000000000 ]  - [  0.073034230000000,  0.000000000000000,  0.852891530000000 ]- # 2 (Li)  - [  0.872566850000000,  0.000000000000000,  0.097628590000000 ]  - [  0.000000000000000,  0.964231840000000,  0.000000000000000 ]  - [  0.073034230000000,  0.000000000000000,  0.852891530000000 ]- # 3 (Li)  - [  0.872566850000000,  0.000000000000000, -0.097628590000000 ]  - [  0.000000000000000,  0.964231840000000,  0.000000000000000 ]  - [ -0.073034230000000,  0.000000000000000,  0.852891530000000 ]- # 4 (Li)  - [  0.872566850000000,  0.000000000000000, -0.097628590000000 ]  - [  0.000000000000000,  0.964231840000000,  0.000000000000000 ]  - [ -0.073034230000000,  0.000000000000000,  0.852891530000000 ]- # 5 (Sr)  - [  2.479347930000000,  0.000000000000000,  0.061006640000000 ]  - [  0.000000000000000,  2.691529750000000,  0.000000000000000 ]  - [  0.047311640000000,  0.000000000000000,  2.358253220000000 ]- # 6 (Sr)  - [  2.479347930000000,  0.000000000000000,  0.061006640000000 ]  - [  0.000000000000000,  2.691529750000000,  0.000000000000000 ]  - [  0.047311640000000,  0.000000000000000,  2.358253220000000 ]- # 7 (Sr)  - [  2.479347930000000,  0.000000000000000, -0.061006640000000 ]  - [  0.000000000000000,  2.691529750000000,  0.000000000000000 ]  - [ -0.047311640000000,  0.000000000000000,  2.358253220000000 ]- # 8 (Sr)  - [  2.479347930000000,  0.000000000000000, -0.061006640000000 ]  - [  0.000000000000000,  2.691529750000000,  0.000000000000000 ]  - [ -0.047311640000000,  0.000000000000000,  2.358253220000000 ]- # 9 (Sb)  - [ -3.351914780000000,  0.000000000000000, -0.100561590000000 ]  - [  0.000000000000000, -3.655761580000000,  0.000000000000000 ]  - [  0.077823200000000,  0.000000000000000, -3.211144750000000 ]- # 10 (Sb)  - [ -3.351914780000000,  0.000000000000000, -0.100561590000000 ]  - [  0.000000000000000, -3.655761580000000,  0.000000000000000 ]  - [  0.077823200000000,  0.000000000000000, -3.211144750000000 ]- # 11 (Sb)  - [ -3.351914780000000,  0.000000000000000,  0.100561590000000 ]  - [  0.000000000000000, -3.655761580000000,  0.000000000000000 ]  - [ -0.077823200000000,  0.000000000000000, -3.211144750000000 ]- # 12 (Sb)  - [ -3.351914780000000,  0.000000000000000,  0.100561590000000 ]  - [  0.000000000000000, -3.655761580000000,  0.000000000000000 ]  - [ -0.077823200000000,  0.000000000000000, -3.211144750000000 ]dielectric_constant:  - [ 11.599070290000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 12.465924870000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 10.742192480000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - 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[   0.0211435400000000,  0.0000176500000000,  0.0000464300000000 ]  - [   0.0213639100000000,  0.0001130500000000,  0.0003990400000000 ]  - [   0.0211435400000000, -0.0000176500000000,  0.0000464300000000 ]  - [   0.0213639100000000, -0.0001130500000000,  0.0003990400000000 ]  - [   0.0212114600000000,  0.0000000000000000,  0.0000859000000000 ]  - [   0.0212964500000000,  0.0000000000000000,  0.0000811600000000 ]  - [   0.0211633500000000, -0.0000609700000000,  0.0000882400000000 ]  - [   0.0214348700000000,  0.0001957000000000, -0.0001468200000000 ]  - [   0.0211633500000000,  0.0000609700000000,  0.0000882400000000 ]  - [   0.0214348700000000, -0.0001957000000000, -0.0001468200000000 ]  - [   0.0212020500000000,  0.0000000000000000,  0.0000776500000000 ]  - [   0.0213898300000000,  0.0000000000000000,  0.0000997200000000 ]  - [  -0.0194722000000000,  0.0000000000000000,  0.0014711700000000 ]  - [  -0.0217342100000000,  0.0000000000000000,  0.0001580100000000 ]  - [  -0.0211565700000000,  0.0000442600000000, -0.0001360300000000 ]  - [  -0.0213250900000000, -0.0001023000000000, -0.0000016300000000 ]  - [  -0.0211565700000000, -0.0000442600000000, -0.0001360300000000 ]  - [  -0.0213250900000000,  0.0001023000000000, -0.0000016300000000 ]  - [  -0.0211590700000000,  0.0000000000000000, -0.0000949300000000 ]  - [  -0.0212857500000000,  0.0000000000000000, -0.0001836400000000 ]  - [  -0.0212868600000000,  0.0000856100000000,  0.0000178700000000 ]  - [  -0.0212547400000000, -0.0000205100000000, -0.0000892900000000 ]  - [  -0.0212868600000000, -0.0000856100000000,  0.0000178700000000 ]  - [  -0.0212547400000000,  0.0000205100000000, -0.0000892900000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0119893900000000,  0.0000000000000000,  0.0017680000000000 ]  - [  -0.0023944000000000,  0.0000000000000000,  0.0038070600000000 ]  - [  -0.0021123700000000,  0.0000521100000000,  0.0036225200000000 ]  - [  -0.0020910500000000, -0.0000238600000000,  0.0038202600000000 ]  - 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