# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ffc1d68e-137d-46f2-b7f3-00b0c5821eb2/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 InSbS3 / Pnma (62) / materials id 21365](https://mdr.nims.go.jp/datasets/6180a6be-f0e1-4edf-b759-05921d3a2f1b)

## 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,   1 ]primitive_cell:  lattice:  - [     9.245867550000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.835596509999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.005989460000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.313159400000000,  0.750000000000000,  0.291613650000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.686840600000000,  0.250000000000000,  0.708386350000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.813159400000000,  0.750000000000000,  0.208386350000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.186840600000000,  0.250000000000000,  0.791613650000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.656315250000000,  0.750000000000000,  0.479343270000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.343684750000000,  0.250000000000000,  0.520656730000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.156315250000000,  0.750000000000000,  0.020656730000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.843684750000000,  0.250000000000000,  0.979343270000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.500597130000000,  0.250000000000000,  0.118451370000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.499402870000000,  0.750000000000000,  0.881548630000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.000597130000000,  0.250000000000000,  0.381548630000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.999402870000000,  0.750000000000000,  0.618451370000000 ]    mass: 32.065000  - symbol: In # 13    coordinates: [  0.345334970000000,  0.250000000000000,  0.955757370000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.654665030000000,  0.750000000000000,  0.044242630000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.845334970000000,  0.250000000000000,  0.544242630000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.154665030000000,  0.750000000000000,  0.455757370000000 ]    mass: 114.818000  - symbol: Sb # 17    coordinates: [  0.980741030000000,  0.250000000000000,  0.149619690000000 ]    mass: 121.760000  - symbol: Sb # 18    coordinates: [  0.019258970000000,  0.750000000000000,  0.850380310000000 ]    mass: 121.760000  - symbol: Sb # 19    coordinates: [  0.480741030000000,  0.250000000000000,  0.350380310000000 ]    mass: 121.760000  - symbol: Sb # 20    coordinates: [  0.519258970000000,  0.750000000000000,  0.649619690000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.108156427138089,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.260715640290329,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.076887652652303 ] # c*unit_cell:  lattice:  - [     9.245867550000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.835596510000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.005989460000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.313159400000000,  0.750000000000000,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.686840600000000,  0.250000000000000,  0.708386350000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.813159400000000,  0.750000000000000,  0.208386350000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.186840600000000,  0.250000000000000,  0.791613650000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.656315250000000,  0.750000000000000,  0.479343270000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.343684750000000,  0.250000000000000,  0.520656730000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.156315250000000,  0.750000000000000,  0.020656730000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.843684750000000,  0.250000000000000,  0.979343270000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.500597130000000,  0.250000000000000,  0.118451370000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.499402870000000,  0.750000000000000,  0.881548630000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.000597130000000,  0.250000000000000,  0.381548630000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.999402870000000,  0.750000000000000,  0.618451370000000 ]    mass: 32.065000    reduced_to: 12  - symbol: In # 13    coordinates: [  0.345334970000000,  0.250000000000000,  0.955757370000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.654665030000000,  0.750000000000000,  0.044242630000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.845334970000000,  0.250000000000000,  0.544242630000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.154665030000000,  0.750000000000000,  0.455757370000000 ]    mass: 114.818000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.980741030000000,  0.250000000000000,  0.149619690000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.019258970000000,  0.750000000000000,  0.850380310000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 19    coordinates: [  0.480741030000000,  0.250000000000000,  0.350380310000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.519258970000000,  0.750000000000000,  0.649619690000000 ]    mass: 121.760000    reduced_to: 20supercell:  lattice:  - [    18.491735100000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.506789529999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.005989460000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.156579700000000,  0.250000000000000,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.656579700000000,  0.250000000000000,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.156579700000000,  0.583333333333333,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.656579700000000,  0.583333333333333,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.156579700000000,  0.916666666666667,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.656579700000000,  0.916666666666667,  0.291613650000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 7    coordinates: [  0.343420300000000,  0.083333333333333,  0.708386350000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.843420300000000,  0.083333333333333,  0.708386350000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 9    coordinates: [  0.343420300000000,  0.416666666666667,  0.708386350000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 10    coordinates: [  0.843420300000000,  0.416666666666667,  0.708386350000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 11    coordinates: [  0.343420300000000,  0.750000000000000,  0.708386350000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 12    coordinates: [  0.843420300000000,  0.750000000000000,  0.708386350000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 13    coordinates: [  0.406579700000000,  0.250000000000000,  0.208386350000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.906579700000000,  0.250000000000000,  0.208386350000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 15    coordinates: [  0.406579700000000,  0.583333333333333,  0.208386350000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 16    coordinates: [  0.906579700000000,  0.583333333333333,  0.208386350000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 17    coordinates: [  0.406579700000000,  0.916666666666667,  0.208386350000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 18    coordinates: [  0.906579700000000,  0.916666666666667,  0.208386350000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 19    coordinates: [  0.093420300000000,  0.083333333333333,  0.791613650000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.593420300000000,  0.083333333333333,  0.791613650000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 21    coordinates: [  0.093420300000000,  0.416666666666667,  0.791613650000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 22    coordinates: [  0.593420300000000,  0.416666666666667,  0.791613650000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 23    coordinates: [  0.093420300000000,  0.750000000000000,  0.791613650000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 24    coordinates: [  0.593420300000000,  0.750000000000000,  0.791613650000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 25    coordinates: [  0.328157625000000,  0.250000000000000,  0.479343270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.828157625000000,  0.250000000000000,  0.479343270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 27    coordinates: [  0.328157625000000,  0.583333333333333,  0.479343270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 28    coordinates: [  0.828157625000000,  0.583333333333333,  0.479343270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 29    coordinates: [  0.328157625000000,  0.916666666666667,  0.479343270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 30    coordinates: [  0.828157625000000,  0.916666666666667,  0.479343270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 31    coordinates: [  0.171842375000000,  0.083333333333333,  0.520656730000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.671842375000000,  0.083333333333333,  0.520656730000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 33    coordinates: [  0.171842375000000,  0.416666666666667,  0.520656730000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 34    coordinates: [  0.671842375000000,  0.416666666666667,  0.520656730000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 35    coordinates: [  0.171842375000000,  0.750000000000000,  0.520656730000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 36    coordinates: [  0.671842375000000,  0.750000000000000,  0.520656730000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 37    coordinates: [  0.078157625000000,  0.250000000000000,  0.020656730000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.578157625000000,  0.250000000000000,  0.020656730000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.078157625000000,  0.583333333333333,  0.020656730000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 40    coordinates: [  0.578157625000000,  0.583333333333333,  0.020656730000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 41    coordinates: [  0.078157625000000,  0.916666666666667,  0.020656730000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 42    coordinates: [  0.578157625000000,  0.916666666666667,  0.020656730000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 43    coordinates: [  0.421842375000000,  0.083333333333333,  0.979343270000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.921842375000000,  0.083333333333333,  0.979343270000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.421842375000000,  0.416666666666667,  0.979343270000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 46    coordinates: [  0.921842375000000,  0.416666666666667,  0.979343270000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 47    coordinates: [  0.421842375000000,  0.750000000000000,  0.979343270000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 48    coordinates: [  0.921842375000000,  0.750000000000000,  0.979343270000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 49    coordinates: [  0.250298565000000,  0.083333333333333,  0.118451370000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.750298565000000,  0.083333333333333,  0.118451370000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.250298565000000,  0.416666666666667,  0.118451370000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 52    coordinates: [  0.750298565000000,  0.416666666666667,  0.118451370000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 53    coordinates: [  0.250298565000000,  0.750000000000000,  0.118451370000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 54    coordinates: [  0.750298565000000,  0.750000000000000,  0.118451370000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 55    coordinates: [  0.249701435000000,  0.250000000000000,  0.881548630000000 ]    mass: 32.065000    reduced_to: 55  - 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symbol: In # 88    coordinates: [  0.922667485000000,  0.416666666666667,  0.544242630000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 89    coordinates: [  0.422667485000000,  0.750000000000000,  0.544242630000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 90    coordinates: [  0.922667485000000,  0.750000000000000,  0.544242630000000 ]    mass: 114.818000    reduced_to: 85  - symbol: In # 91    coordinates: [  0.077332515000000,  0.250000000000000,  0.455757370000000 ]    mass: 114.818000    reduced_to: 91  - symbol: In # 92    coordinates: [  0.577332515000000,  0.250000000000000,  0.455757370000000 ]    mass: 114.818000    reduced_to: 91  - symbol: In # 93    coordinates: [  0.077332515000000,  0.583333333333333,  0.455757370000000 ]    mass: 114.818000    reduced_to: 91  - symbol: In # 94    coordinates: [  0.577332515000000,  0.583333333333333,  0.455757370000000 ]    mass: 114.818000    reduced_to: 91  - symbol: In # 95    coordinates: [  0.077332515000000,  0.916666666666667,  0.455757370000000 ]    mass: 114.818000    reduced_to: 91  - symbol: In # 96    coordinates: [  0.577332515000000,  0.916666666666667,  0.455757370000000 ]    mass: 114.818000    reduced_to: 91  - symbol: Sb # 97    coordinates: [  0.490370515000000,  0.083333333333333,  0.149619690000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 98    coordinates: [  0.990370515000000,  0.083333333333333,  0.149619690000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 99    coordinates: [  0.490370515000000,  0.416666666666667,  0.149619690000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 100    coordinates: [  0.990370515000000,  0.416666666666667,  0.149619690000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 101    coordinates: [  0.490370515000000,  0.750000000000000,  0.149619690000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 102    coordinates: [  0.990370515000000,  0.750000000000000,  0.149619690000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 103    coordinates: [  0.009629485000000,  0.250000000000000,  0.850380310000000 ]    mass: 121.760000    reduced_to: 103  - symbol: Sb # 104    coordinates: [  0.509629485000000,  0.250000000000000,  0.850380310000000 ]    mass: 121.760000    reduced_to: 103  - symbol: Sb # 105    coordinates: [  0.009629485000000,  0.583333333333333,  0.850380310000000 ]    mass: 121.760000    reduced_to: 103  - symbol: Sb # 106    coordinates: [  0.509629485000000,  0.583333333333333,  0.850380310000000 ]    mass: 121.760000    reduced_to: 103  - symbol: Sb # 107    coordinates: [  0.009629485000000,  0.916666666666667,  0.850380310000000 ]    mass: 121.760000    reduced_to: 103  - symbol: Sb # 108    coordinates: [  0.509629485000000,  0.916666666666667,  0.850380310000000 ]    mass: 121.760000    reduced_to: 103  - symbol: Sb # 109    coordinates: [  0.240370515000000,  0.083333333333333,  0.350380310000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 110    coordinates: [  0.740370515000000,  0.083333333333333,  0.350380310000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 111    coordinates: [  0.240370515000000,  0.416666666666667,  0.350380310000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 112    coordinates: [  0.740370515000000,  0.416666666666667,  0.350380310000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 113    coordinates: [  0.240370515000000,  0.750000000000000,  0.350380310000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 114    coordinates: [  0.740370515000000,  0.750000000000000,  0.350380310000000 ]    mass: 121.760000    reduced_to: 109  - symbol: Sb # 115    coordinates: [  0.259629485000000,  0.250000000000000,  0.649619690000000 ]    mass: 121.760000    reduced_to: 115  - symbol: Sb # 116    coordinates: [  0.759629485000000,  0.250000000000000,  0.649619690000000 ]    mass: 121.760000    reduced_to: 115  - symbol: Sb # 117    coordinates: [  0.259629485000000,  0.583333333333333,  0.649619690000000 ]    mass: 121.760000    reduced_to: 115  - symbol: Sb # 118    coordinates: [  0.759629485000000,  0.583333333333333,  0.649619690000000 ]    mass: 121.760000    reduced_to: 115  - symbol: Sb # 119    coordinates: [  0.259629485000000,  0.916666666666667,  0.649619690000000 ]    mass: 121.760000    reduced_to: 115  - symbol: Sb # 120    coordinates: [  0.759629485000000,  0.916666666666667,  0.649619690000000 ]    mass: 121.760000    reduced_to: 115born_effective_charge:- # 1 (S)  - [ -1.905033990000000,  0.000000000000000, -0.234634980000000 ]  - [  0.000000000000000, -3.976223300000000,  0.000000000000000 ]  - [ -0.450000870000000,  0.000000000000000, -1.422292540000000 ]- # 2 (S)  - [ -1.905033990000000,  0.000000000000000, -0.234634980000000 ]  - [  0.000000000000000, -3.976223300000000,  0.000000000000000 ]  - [ -0.450000870000000,  0.000000000000000, -1.422292540000000 ]- # 3 (S)  - [ -1.905033990000000,  0.000000000000000,  0.234634980000000 ]  - [  0.000000000000000, -3.976223300000000,  0.000000000000000 ]  - [  0.450000870000000,  0.000000000000000, -1.422292540000000 ]- # 4 (S)  - [ -1.905033990000000,  0.000000000000000,  0.234634980000000 ]  - [  0.000000000000000, -3.976223300000000,  0.000000000000000 ]  - [  0.450000870000000,  0.000000000000000, -1.422292540000000 ]- # 5 (S)  - [ -2.539934330000000,  0.000000000000000, -0.371237300000000 ]  - [  0.000000000000000, -3.422280970000000,  0.000000000000000 ]  - [  0.089817200000000,  0.000000000000000, -2.922557980000000 ]- # 6 (S)  - [ -2.539934330000000,  0.000000000000000, -0.371237300000000 ]  - [  0.000000000000000, -3.422280970000000,  0.000000000000000 ]  - [  0.089817200000000,  0.000000000000000, -2.922557980000000 ]- # 7 (S)  - [ -2.539934330000000,  0.000000000000000,  0.371237300000000 ]  - [  0.000000000000000, -3.422280970000000,  0.000000000000000 ]  - [ -0.089817200000000,  0.000000000000000, -2.922557980000000 ]- # 8 (S)  - [ -2.539934330000000,  0.000000000000000,  0.371237300000000 ]  - [  0.000000000000000, -3.422280970000000,  0.000000000000000 ]  - [ -0.089817200000000,  0.000000000000000, -2.922557980000000 ]- # 9 (S)  - [ -2.375550910000000,  0.000000000000000, -0.215296630000000 ]  - [  0.000000000000000, -2.327050450000000,  0.000000000000000 ]  - [ -0.238739390000000,  0.000000000000000, -3.300808020000000 ]- # 10 (S)  - [ -2.375550910000000,  0.000000000000000, -0.215296630000000 ]  - [  0.000000000000000, -2.327050450000000,  0.000000000000000 ]  - [ -0.238739390000000,  0.000000000000000, -3.300808020000000 ]- # 11 (S)  - [ -2.375550910000000,  0.000000000000000,  0.215296630000000 ]  - [  0.000000000000000, -2.327050450000000,  0.000000000000000 ]  - [  0.238739390000000,  0.000000000000000, -3.300808020000000 ]- # 12 (S)  - [ -2.375550910000000,  0.000000000000000,  0.215296630000000 ]  - [  0.000000000000000, -2.327050450000000,  0.000000000000000 ]  - [  0.238739390000000,  0.000000000000000, -3.300808020000000 ]- # 13 (In)  - [  4.628125600000000,  0.000000000000000,  0.679393710000000 ]  - [  0.000000000000000,  4.310907070000000,  0.000000000000000 ]  - [  0.228440380000000,  0.000000000000000,  2.352621480000000 ]- # 14 (In)  - [  4.628125600000000,  0.000000000000000,  0.679393710000000 ]  - [  0.000000000000000,  4.310907070000000,  0.000000000000000 ]  - [  0.228440380000000,  0.000000000000000,  2.352621480000000 ]- # 15 (In)  - [  4.628125600000000,  0.000000000000000, -0.679393710000000 ]  - [  0.000000000000000,  4.310907070000000,  0.000000000000000 ]  - [ -0.228440380000000,  0.000000000000000,  2.352621480000000 ]- # 16 (In)  - [  4.628125600000000,  0.000000000000000, -0.679393710000000 ]  - [  0.000000000000000,  4.310907070000000,  0.000000000000000 ]  - [ -0.228440380000000,  0.000000000000000,  2.352621480000000 ]- # 17 (Sb)  - [  2.192393620000000,  0.000000000000000, -0.117323580000000 ]  - [  0.000000000000000,  5.414647650000000,  0.000000000000000 ]  - [  0.087267760000000,  0.000000000000000,  5.293037070000000 ]- # 18 (Sb)  - [  2.192393620000000,  0.000000000000000, -0.117323580000000 ]  - [  0.000000000000000,  5.414647650000000,  0.000000000000000 ]  - [  0.087267760000000,  0.000000000000000,  5.293037070000000 ]- # 19 (Sb)  - [  2.192393620000000,  0.000000000000000,  0.117323580000000 ]  - [  0.000000000000000,  5.414647650000000,  0.000000000000000 ]  - [ -0.087267760000000,  0.000000000000000,  5.293037070000000 ]- # 20 (Sb)  - [  2.192393620000000,  0.000000000000000,  0.117323580000000 ]  - [  0.000000000000000,  5.414647650000000,  0.000000000000000 ]  - [ -0.087267760000000,  0.000000000000000,  5.293037070000000 ]dielectric_constant:  - [  9.204590359999999,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 11.749391240000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 10.853770400000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0681970800000000,  0.0000000000000000, -0.0080980000000000 ]  - [  -0.0014356200000000,  0.0000000000000000, -0.0039247800000000 ]  - [  -0.0065934800000000, -0.0004603800000000, -0.0052833300000000 ]  - [  -0.0014157300000000,  0.0000080100000000, -0.0038810700000000 ]  - [  -0.0065934800000000,  0.0004603800000000, -0.0052833300000000 ]  - [  -0.0014157300000000, -0.0000080100000000, -0.0038810700000000 ]  - [   0.0013810000000000,  0.0002742900000000,  0.0043209500000000 ]  - [   0.0017804100000000, -0.0000293700000000,  0.0040397100000000 ]  - [   0.0013810000000000, -0.0002742900000000,  0.0043209500000000 ]  - [   0.0017804100000000,  0.0000293700000000,  0.0040397100000000 ]  - [   0.0007869700000000,  0.0000000000000000,  0.0055128000000000 ]  - [   0.0018576900000000,  0.0000000000000000,  0.0039160400000000 ]  - [  -0.0018742800000000,  0.0000000000000000,  0.0039742800000000 ]  - [  -0.0018721000000000,  0.0000000000000000,  0.0040386200000000 ]  - [  -0.0014421500000000,  0.0000946900000000,  0.0038884300000000 ]  - [  -0.0014444700000000, -0.0005378000000000,  0.0042724400000000 ]  - [  -0.0014421500000000, -0.0000946900000000,  0.0038884300000000 ]  - [  -0.0014444700000000,  0.0005378000000000,  0.0042724400000000 ]  - [   0.0015168600000000,  0.0001633700000000, -0.0038443000000000 ]  - [   0.0019154400000000,  0.0000137200000000, -0.0039126500000000 ]  - [   0.0015168600000000, -0.0001633700000000, -0.0038443000000000 ]  - [   0.0019154400000000, -0.0000137200000000, -0.0039126500000000 ]  - [   0.0014467400000000,  0.0000000000000000, -0.0039498800000000 ]  - 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[  -0.0033896600000000, -0.0001817400000000, -0.0004847300000000 ]  - [  -0.0040230400000000, -0.0003150100000000, -0.0012919000000000 ]  - [  -0.0033896600000000,  0.0001817400000000, -0.0004847300000000 ]  - [  -0.0040230400000000,  0.0003150100000000, -0.0012919000000000 ]  - [   0.0023674900000000, -0.0003846600000000, -0.0031923200000000 ]  - [   0.0009161000000000, -0.0001026800000000, -0.0032235100000000 ]  - [   0.0023674900000000,  0.0003846600000000, -0.0031923200000000 ]  - [   0.0009161000000000,  0.0001026800000000, -0.0032235100000000 ]  - [   0.0023544500000000,  0.0000000000000000, -0.0030460200000000 ]  - [   0.0009318300000000,  0.0000000000000000, -0.0032032500000000 ]  - [  -0.0013141500000000,  0.0000000000000000,  0.0032268400000000 ]  - [  -0.0019326000000000,  0.0000000000000000,  0.0029340600000000 ]  - [  -0.0016392800000000, -0.0002464400000000,  0.0032826400000000 ]  - [  -0.0018553100000000, -0.0000471900000000,  0.0028746000000000 ]  - [  -0.0016392800000000,  0.0002464400000000,  0.0032826400000000 ]  - [  -0.0018553100000000,  0.0000471900000000,  0.0028746000000000 ]  - [   0.0004233300000000, -0.0004046600000000,  0.0025160200000000 ]  - [   0.0005410000000000,  0.0003195600000000,  0.0049709900000000 ]  - [   0.0004233300000000,  0.0004046600000000,  0.0025160200000000 ]  - [   0.0005410000000000, -0.0003195600000000,  0.0049709900000000 ]  - [  -0.0011659300000000,  0.0000000000000000,  0.0022780500000000 ]  - [   0.0013152400000000,  0.0000000000000000,  0.0030922900000000 ]  - [   0.0078756400000000,  0.0000000000000000, -0.0132248000000000 ]  - [  -0.0020954400000000,  0.0000000000000000, -0.0030690900000000 ]  - [   0.0002862800000000,  0.0013225000000000, -0.0028654700000000 ]  - [  -0.0022200000000000, -0.0000311600000000, -0.0030720500000000 ]  - [   0.0002862800000000, -0.0013225000000000, -0.0028654700000000 ]  - [  -0.0022200000000000,  0.0000311600000000, -0.0030720500000000 ]  - [   0.0016831600000000, -0.0001724100000000,  0.0015219600000000 ]  - [   0.0010315900000000, -0.0008960500000000, -0.0001861100000000 ]  - [   0.0016831600000000,  0.0001724100000000,  0.0015219600000000 ]  - [   0.0010315900000000,  0.0008960500000000, -0.0001861100000000 ]  - [   0.0017004200000000,  0.0000000000000000,  0.0015878700000000 ]  - [   0.0027208900000000,  0.0000000000000000,  0.0011673500000000 ]  - [  -0.0019521900000000,  0.0000000000000000, -0.0018009300000000 ]  - [  -0.0020377000000000,  0.0000000000000000, -0.0014068100000000 ]  - [  -0.0018374500000000,  0.0000742300000000, -0.0011538900000000 ]  - [  -0.0020750500000000,  0.0000238000000000, -0.0015046400000000 ]  - [  -0.0018374500000000, -0.0000742300000000, -0.0011538900000000 ]  - [  -0.0020750500000000, -0.0000238000000000, -0.0015046400000000 ]  - [   0.0294075200000000, -0.0164077200000000,  0.0067552200000000 ]  - [   0.0015594900000000, -0.0000042200000000, -0.0014158200000000 ]  - [   0.0294075200000000,  0.0164077200000000,  0.0067552200000000 ]  - [   0.0015594900000000,  0.0000042200000000, -0.0014158200000000 ]  - [   0.0044180200000000,  0.0000000000000000,  0.0002515500000000 ]  - [   0.0015132300000000,  0.0000000000000000, -0.0015249800000000 ]  - [  -0.0009057100000000,  0.0000000000000000,  0.0012842100000000 ]  - [  -0.0021977200000000,  0.0000000000000000,  0.0015175400000000 ]  - [   0.0002089800000000,  0.0012481600000000,  0.0004400200000000 ]  - [  -0.0022294500000000, -0.0000607400000000,  0.0015850500000000 ]  - [   0.0002089800000000, -0.0012481600000000,  0.0004400200000000 ]  - [  -0.0022294500000000,  0.0000607400000000,  0.0015850500000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0643480900000000,  0.0000000000000000, -0.0008526400000000 ]  - [  -0.0020297000000000,  0.0000000000000000, -0.0039823700000000 ]  - [   0.0031029300000000,  0.0004811000000000, -0.0026120300000000 ]  - [  -0.0020605300000000, -0.0000173400000000, -0.0040136700000000 ]  - [   0.0031029300000000, -0.0004811000000000, -0.0026120300000000 ]  - [  -0.0020605300000000,  0.0000173400000000, -0.0040136700000000 ]  - [   0.0020906200000000, -0.0002865100000000,  0.0035734900000000 ]  - [   0.0016953000000000,  0.0000203400000000,  0.0038544500000000 ]  - [   0.0020906200000000,  0.0002865100000000,  0.0035734900000000 ]  - [   0.0016953000000000, -0.0000203400000000,  0.0038544500000000 ]  - [   0.0026654100000000,  0.0000000000000000,  0.0023910200000000 ]  - [   0.0016071600000000,  0.0000000000000000,  0.0039906900000000 ]  - [  -0.0015924300000000,  0.0000000000000000,  0.0039344100000000 ]  - [  -0.0015901500000000,  0.0000000000000000,  0.0038694100000000 ]  - [  -0.0020330500000000, -0.0001048500000000,  0.0040068200000000 ]  - [  -0.0020354400000000,  0.0005346000000000,  0.0036209300000000 ]  - [  -0.0020330500000000,  0.0001048500000000,  0.0040068200000000 ]  - [  -0.0020354400000000, -0.0005346000000000,  0.0036209300000000 ]  - [   0.0019597300000000, -0.0001740300000000, -0.0040514500000000 ]  - [   0.0015584200000000, -0.0000241800000000, -0.0039818400000000 ]  - [   0.0019597300000000,  0.0001740300000000, -0.0040514500000000 ]  - 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