# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fe738158-15e8-45ff-b9b0-8b4e13ef2109/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 CuTe2Cl / P2_1/c (14) / materials id 30971](https://mdr.nims.go.jp/datasets/1e3f6fc5-a5ea-46f2-ab73-65bd5fc9b75c)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.103688330000001,     0.000000000000000,    -0.030176670000000 ] # a  - [     0.000000000000000,     4.908203340000000,     0.000000000000000 ] # b  - [    -5.526721020000000,     0.000000000000000,    10.578570350000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.910136620000000,  0.890141790000000,  0.622016210000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.089863380000000,  0.390141790000000,  0.877983790000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.089863380000000,  0.109858210000000,  0.377983790000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.910136620000000,  0.609858210000000,  0.122016210000000 ]    mass: 35.453000  - symbol: Cu # 5    coordinates: [  0.172387840000000,  0.139559800000000,  0.748479710000000 ]    mass: 63.546000  - symbol: Cu # 6    coordinates: [  0.827612160000000,  0.639559800000000,  0.751520290000000 ]    mass: 63.546000  - symbol: Cu # 7    coordinates: [  0.827612160000000,  0.860440200000000,  0.251520290000000 ]    mass: 63.546000  - symbol: Cu # 8    coordinates: [  0.172387840000000,  0.360440200000000,  0.248479710000000 ]    mass: 63.546000  - symbol: Te # 9    coordinates: [  0.419957640000000,  0.787163730000000,  0.862926250000000 ]    mass: 127.600000  - symbol: Te # 10    coordinates: [  0.580042360000000,  0.287163730000000,  0.637073750000000 ]    mass: 127.600000  - symbol: Te # 11    coordinates: [  0.580042360000000,  0.212836270000000,  0.137073750000000 ]    mass: 127.600000  - symbol: Te # 12    coordinates: [  0.419957640000000,  0.712836270000000,  0.362926250000000 ]    mass: 127.600000  - symbol: Te # 13    coordinates: [  0.739133870000000,  0.988802350000000,  0.867726210000000 ]    mass: 127.600000  - symbol: Te # 14    coordinates: [  0.260866130000000,  0.488802350000000,  0.632273790000000 ]    mass: 127.600000  - symbol: Te # 15    coordinates: [  0.260866130000000,  0.011197650000000,  0.132273790000000 ]    mass: 127.600000  - symbol: Te # 16    coordinates: [  0.739133870000000,  0.511197650000000,  0.367726210000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.123641142423181,     0.000000000000000,     0.064595694707178 ] # a*  - [     0.000000000000000,     0.203740540219754,     0.000000000000000 ] # b*  - [     0.000352701530536,     0.000000000000000,     0.094714999268554 ] # c*unit_cell:  lattice:  - [     8.103688330000001,     0.000000000000000,    -0.030176670000000 ] # a  - [     0.000000000000000,     4.908203340000000,     0.000000000000000 ] # b  - [    -5.526721020000000,     0.000000000000000,    10.578570350000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.910136620000000,  0.890141790000000,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.089863380000000,  0.390141790000000,  0.877983790000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.089863380000000,  0.109858210000000,  0.377983790000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.910136620000000,  0.609858210000000,  0.122016210000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cu # 5    coordinates: [  0.172387840000000,  0.139559800000000,  0.748479710000000 ]    mass: 63.546000    reduced_to: 5  - symbol: Cu # 6    coordinates: [  0.827612160000000,  0.639559800000000,  0.751520290000000 ]    mass: 63.546000    reduced_to: 6  - symbol: Cu # 7    coordinates: [  0.827612160000000,  0.860440200000000,  0.251520290000000 ]    mass: 63.546000    reduced_to: 7  - symbol: Cu # 8    coordinates: [  0.172387840000000,  0.360440200000000,  0.248479710000000 ]    mass: 63.546000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.419957640000000,  0.787163730000000,  0.862926250000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.580042360000000,  0.287163730000000,  0.637073750000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.580042360000000,  0.212836270000000,  0.137073750000000 ]    mass: 127.600000    reduced_to: 11  - symbol: Te # 12    coordinates: [  0.419957640000000,  0.712836270000000,  0.362926250000000 ]    mass: 127.600000    reduced_to: 12  - symbol: Te # 13    coordinates: [  0.739133870000000,  0.988802350000000,  0.867726210000000 ]    mass: 127.600000    reduced_to: 13  - symbol: Te # 14    coordinates: [  0.260866130000000,  0.488802350000000,  0.632273790000000 ]    mass: 127.600000    reduced_to: 14  - symbol: Te # 15    coordinates: [  0.260866130000000,  0.011197650000000,  0.132273790000000 ]    mass: 127.600000    reduced_to: 15  - symbol: Te # 16    coordinates: [  0.739133870000000,  0.511197650000000,  0.367726210000000 ]    mass: 127.600000    reduced_to: 16supercell:  lattice:  - [    16.207376660000001,     0.000000000000000,    -0.060353340000000 ] # a  - [     0.000000000000000,    14.724610020000000,     0.000000000000000 ] # b  - [    -5.526721020000000,     0.000000000000000,    10.578570350000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.455068310000000,  0.296713930000000,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.955068310000000,  0.296713930000000,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 3    coordinates: [  0.455068310000000,  0.630047263333333,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 4    coordinates: [  0.955068310000000,  0.630047263333333,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 5    coordinates: [  0.455068310000000,  0.963380596666667,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 6    coordinates: [  0.955068310000000,  0.963380596666667,  0.622016210000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 7    coordinates: [  0.044931690000000,  0.130047263333333,  0.877983790000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.544931690000000,  0.130047263333333,  0.877983790000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 9    coordinates: [  0.044931690000000,  0.463380596666667,  0.877983790000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 10    coordinates: [  0.544931690000000,  0.463380596666667,  0.877983790000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 11    coordinates: [  0.044931690000000,  0.796713930000000,  0.877983790000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 12    coordinates: [  0.544931690000000,  0.796713930000000,  0.877983790000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 13    coordinates: [  0.044931690000000,  0.036619403333333,  0.377983790000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.544931690000000,  0.036619403333333,  0.377983790000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 15    coordinates: [  0.044931690000000,  0.369952736666667,  0.377983790000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 16    coordinates: [  0.544931690000000,  0.369952736666667,  0.377983790000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 17    coordinates: [  0.044931690000000,  0.703286070000000,  0.377983790000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 18    coordinates: [  0.544931690000000,  0.703286070000000,  0.377983790000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 19    coordinates: [  0.455068310000000,  0.203286070000000,  0.122016210000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.955068310000000,  0.203286070000000,  0.122016210000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 21    coordinates: [  0.455068310000000,  0.536619403333333,  0.122016210000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 22    coordinates: [  0.955068310000000,  0.536619403333333,  0.122016210000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 23    coordinates: [  0.455068310000000,  0.869952736666667,  0.122016210000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 24    coordinates: [  0.955068310000000,  0.869952736666667,  0.122016210000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cu # 25    coordinates: [  0.086193920000000,  0.046519933333333,  0.748479710000000 ]    mass: 63.546000    reduced_to: 25  - symbol: Cu # 26    coordinates: [  0.586193920000000,  0.046519933333333,  0.748479710000000 ]    mass: 63.546000    reduced_to: 25  - symbol: Cu # 27    coordinates: [  0.086193920000000,  0.379853266666667,  0.748479710000000 ]    mass: 63.546000    reduced_to: 25  - symbol: Cu # 28    coordinates: [  0.586193920000000,  0.379853266666667,  0.748479710000000 ]    mass: 63.546000    reduced_to: 25  - symbol: Cu # 29    coordinates: [  0.086193920000000,  0.713186600000000,  0.748479710000000 ]    mass: 63.546000    reduced_to: 25  - symbol: Cu # 30    coordinates: [  0.586193920000000,  0.713186600000000,  0.748479710000000 ]    mass: 63.546000    reduced_to: 25  - symbol: Cu # 31    coordinates: [  0.413806080000000,  0.213186600000000,  0.751520290000000 ]    mass: 63.546000    reduced_to: 31  - symbol: Cu # 32    coordinates: [  0.913806080000000,  0.213186600000000,  0.751520290000000 ]    mass: 63.546000    reduced_to: 31  - symbol: Cu # 33    coordinates: [  0.413806080000000,  0.546519933333333,  0.751520290000000 ]    mass: 63.546000    reduced_to: 31  - symbol: Cu # 34    coordinates: [  0.913806080000000,  0.546519933333333,  0.751520290000000 ]    mass: 63.546000    reduced_to: 31  - symbol: Cu # 35    coordinates: [  0.413806080000000,  0.879853266666667,  0.751520290000000 ]    mass: 63.546000    reduced_to: 31  - symbol: Cu # 36    coordinates: [  0.913806080000000,  0.879853266666667,  0.751520290000000 ]    mass: 63.546000    reduced_to: 31  - symbol: Cu # 37    coordinates: [  0.413806080000000,  0.286813400000000,  0.251520290000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 38    coordinates: [  0.913806080000000,  0.286813400000000,  0.251520290000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 39    coordinates: [  0.413806080000000,  0.620146733333333,  0.251520290000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 40    coordinates: [  0.913806080000000,  0.620146733333333,  0.251520290000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 41    coordinates: [  0.413806080000000,  0.953480066666667,  0.251520290000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 42    coordinates: [  0.913806080000000,  0.953480066666667,  0.251520290000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 43    coordinates: [  0.086193920000000,  0.120146733333333,  0.248479710000000 ]    mass: 63.546000    reduced_to: 43  - symbol: Cu # 44    coordinates: [  0.586193920000000,  0.120146733333333,  0.248479710000000 ]    mass: 63.546000    reduced_to: 43  - symbol: Cu # 45    coordinates: [  0.086193920000000,  0.453480066666667,  0.248479710000000 ]    mass: 63.546000    reduced_to: 43  - symbol: Cu # 46    coordinates: [  0.586193920000000,  0.453480066666667,  0.248479710000000 ]    mass: 63.546000    reduced_to: 43  - symbol: Cu # 47    coordinates: [  0.086193920000000,  0.786813400000000,  0.248479710000000 ]    mass: 63.546000    reduced_to: 43  - symbol: Cu # 48    coordinates: [  0.586193920000000,  0.786813400000000,  0.248479710000000 ]    mass: 63.546000    reduced_to: 43  - symbol: Te # 49    coordinates: [  0.209978820000000,  0.262387910000000,  0.862926250000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 50    coordinates: [  0.709978820000000,  0.262387910000000,  0.862926250000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 51    coordinates: [  0.209978820000000,  0.595721243333333,  0.862926250000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 52    coordinates: [  0.709978820000000,  0.595721243333333,  0.862926250000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 53    coordinates: [  0.209978820000000,  0.929054576666667,  0.862926250000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 54    coordinates: [  0.709978820000000,  0.929054576666667,  0.862926250000000 ]    mass: 127.600000    reduced_to: 49  - symbol: Te # 55    coordinates: [  0.290021180000000,  0.095721243333333,  0.637073750000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 56    coordinates: [  0.790021180000000,  0.095721243333333,  0.637073750000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 57    coordinates: [  0.290021180000000,  0.429054576666667,  0.637073750000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 58    coordinates: [  0.790021180000000,  0.429054576666667,  0.637073750000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 59    coordinates: [  0.290021180000000,  0.762387910000000,  0.637073750000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 60    coordinates: [  0.790021180000000,  0.762387910000000,  0.637073750000000 ]    mass: 127.600000    reduced_to: 55  - symbol: Te # 61    coordinates: [  0.290021180000000,  0.070945423333333,  0.137073750000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 62    coordinates: [  0.790021180000000,  0.070945423333333,  0.137073750000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 63    coordinates: [  0.290021180000000,  0.404278756666667,  0.137073750000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 64    coordinates: [  0.790021180000000,  0.404278756666667,  0.137073750000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 65    coordinates: [  0.290021180000000,  0.737612090000000,  0.137073750000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 66    coordinates: [  0.790021180000000,  0.737612090000000,  0.137073750000000 ]    mass: 127.600000    reduced_to: 61  - symbol: Te # 67    coordinates: [  0.209978820000000,  0.237612090000000,  0.362926250000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 68    coordinates: [  0.709978820000000,  0.237612090000000,  0.362926250000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 69    coordinates: [  0.209978820000000,  0.570945423333333,  0.362926250000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 70    coordinates: [  0.709978820000000,  0.570945423333333,  0.362926250000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 71    coordinates: [  0.209978820000000,  0.904278756666667,  0.362926250000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 72    coordinates: [  0.709978820000000,  0.904278756666667,  0.362926250000000 ]    mass: 127.600000    reduced_to: 67  - symbol: Te # 73    coordinates: [  0.369566935000000,  0.329600783333333,  0.867726210000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 74    coordinates: [  0.869566935000000,  0.329600783333333,  0.867726210000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 75    coordinates: [  0.369566935000000,  0.662934116666667,  0.867726210000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 76    coordinates: [  0.869566935000000,  0.662934116666667,  0.867726210000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 77    coordinates: [  0.369566935000000,  0.996267450000000,  0.867726210000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 78    coordinates: [  0.869566935000000,  0.996267450000000,  0.867726210000000 ]    mass: 127.600000    reduced_to: 73  - symbol: Te # 79    coordinates: [  0.130433065000000,  0.162934116666667,  0.632273790000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 80    coordinates: [  0.630433065000000,  0.162934116666667,  0.632273790000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 81    coordinates: [  0.130433065000000,  0.496267450000000,  0.632273790000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 82    coordinates: [  0.630433065000000,  0.496267450000000,  0.632273790000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 83    coordinates: [  0.130433065000000,  0.829600783333333,  0.632273790000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 84    coordinates: [  0.630433065000000,  0.829600783333333,  0.632273790000000 ]    mass: 127.600000    reduced_to: 79  - symbol: Te # 85    coordinates: [  0.130433065000000,  0.003732550000000,  0.132273790000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 86    coordinates: [  0.630433065000000,  0.003732550000000,  0.132273790000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 87    coordinates: [  0.130433065000000,  0.337065883333333,  0.132273790000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 88    coordinates: [  0.630433065000000,  0.337065883333333,  0.132273790000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 89    coordinates: [  0.130433065000000,  0.670399216666667,  0.132273790000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 90    coordinates: [  0.630433065000000,  0.670399216666667,  0.132273790000000 ]    mass: 127.600000    reduced_to: 85  - symbol: Te # 91    coordinates: [  0.369566935000000,  0.170399216666667,  0.367726210000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 92    coordinates: [  0.869566935000000,  0.170399216666667,  0.367726210000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 93    coordinates: [  0.369566935000000,  0.503732550000000,  0.367726210000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 94    coordinates: [  0.869566935000000,  0.503732550000000,  0.367726210000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 95    coordinates: [  0.369566935000000,  0.837065883333333,  0.367726210000000 ]    mass: 127.600000    reduced_to: 91  - symbol: Te # 96    coordinates: [  0.869566935000000,  0.837065883333333,  0.367726210000000 ]    mass: 127.600000    reduced_to: 91born_effective_charge:- # 1 (Cl)  - [ -2.300640320000000,  0.297728570000000, -0.315061090000000 ]  - [ -0.055525790000000, -2.006286470000000, -0.557817040000000 ]  - [ -0.045981380000000, -0.557628540000000, -1.707800260000000 ]- # 2 (Cl)  - [ -2.300640320000000, -0.297728570000000, -0.315061090000000 ]  - [  0.055525790000000, -2.006286470000000,  0.557817040000000 ]  - [ -0.045981380000000,  0.557628540000000, -1.707800260000000 ]- # 3 (Cl)  - [ -2.300640320000000,  0.297728570000000, -0.315061090000000 ]  - [ -0.055525790000000, -2.006286470000000, -0.557817040000000 ]  - [ -0.045981380000000, -0.557628540000000, -1.707800260000000 ]- # 4 (Cl)  - [ -2.300640320000000, -0.297728570000000, -0.315061090000000 ]  - [  0.055525790000000, -2.006286470000000,  0.557817040000000 ]  - [ -0.045981380000000,  0.557628540000000, -1.707800260000000 ]- # 5 (Cu)  - [  1.139319760000000,  0.165318980000000,  0.091785660000000 ]  - [  0.138080860000000,  0.519517530000000,  0.657076650000000 ]  - [ -0.158663610000000,  0.325705420000000,  0.623462330000000 ]- # 6 (Cu)  - [  1.139319760000000, -0.165318980000000,  0.091785660000000 ]  - [ -0.138080860000000,  0.519517530000000, -0.657076650000000 ]  - [ -0.158663610000000, -0.325705420000000,  0.623462330000000 ]- # 7 (Cu)  - [  1.139319760000000,  0.165318980000000,  0.091785660000000 ]  - [  0.138080860000000,  0.519517530000000,  0.657076650000000 ]  - [ -0.158663610000000,  0.325705420000000,  0.623462330000000 ]- # 8 (Cu)  - [  1.139319760000000, -0.165318980000000,  0.091785660000000 ]  - [ -0.138080860000000,  0.519517530000000, -0.657076650000000 ]  - [ -0.158663610000000, -0.325705420000000,  0.623462330000000 ]- # 9 (Te)  - [  0.637358920000000,  0.122192760000000,  0.069081590000000 ]  - [  0.076533690000000,  0.092775670000000, -0.105279160000000 ]  - [ -0.226763970000000,  0.056080190000000, -0.106571290000000 ]- # 10 (Te)  - [  0.637358920000000, -0.122192760000000,  0.069081590000000 ]  - [ -0.076533690000000,  0.092775670000000,  0.105279160000000 ]  - [ -0.226763970000000, -0.056080190000000, -0.106571290000000 ]- # 11 (Te)  - [  0.637358920000000,  0.122192760000000,  0.069081590000000 ]  - [  0.076533690000000,  0.092775670000000, -0.105279160000000 ]  - [ -0.226763970000000,  0.056080190000000, -0.106571290000000 ]- # 12 (Te)  - [  0.637358920000000, -0.122192760000000,  0.069081590000000 ]  - [ -0.076533690000000,  0.092775670000000,  0.105279160000000 ]  - [ -0.226763970000000, -0.056080190000000, -0.106571290000000 ]- # 13 (Te)  - [  0.523961650000000,  0.225936400000000,  0.154193850000000 ]  - [  0.346699350000000,  1.393993270000000, -0.761230610000000 ]  - [  0.431408950000000, -0.969035420000000,  1.190909230000000 ]- # 14 (Te)  - [  0.523961650000000, -0.225936400000000,  0.154193850000000 ]  - [ -0.346699350000000,  1.393993270000000,  0.761230610000000 ]  - [  0.431408950000000,  0.969035420000000,  1.190909230000000 ]- # 15 (Te)  - [  0.523961650000000,  0.225936400000000,  0.154193850000000 ]  - [  0.346699350000000,  1.393993270000000, -0.761230610000000 ]  - [  0.431408950000000, -0.969035420000000,  1.190909230000000 ]- # 16 (Te)  - [  0.523961650000000, -0.225936400000000,  0.154193850000000 ]  - [ -0.346699350000000,  1.393993270000000,  0.761230610000000 ]  - [  0.431408950000000,  0.969035420000000,  1.190909230000000 ]dielectric_constant:  - [ 12.222535130000001,  0.000000000000000, -1.352300520000000 ]  - [  0.000000000000000, 12.349864190000000,  0.000000000000000 ]  - [ -1.352290900000000,  0.000000000000000, 13.230205920000000 ]displacements:- atom:    1  displacement:    [   0.0099999306665748,  0.0000000000000000, -0.0000372379335754 ]  forces:  - [  -0.0437262600000000, -0.0274297700000000, -0.0106342900000000 ]  - [  -0.0015006900000000, -0.0039877200000000, -0.0096234000000000 ]  - [  -0.0021427800000000, -0.0040456300000000, -0.0097215900000000 ]  - [  -0.0015539400000000, -0.0042128400000000, -0.0096595800000000 ]  - [  -0.0021423600000000, -0.0040186300000000, -0.0097286300000000 ]  - [  -0.0015474200000000, -0.0042493400000000, -0.0095180900000000 ]  - [   0.0025189900000000, -0.0039284500000000,  0.0097885100000000 ]  - [   0.0012977200000000, -0.0034147600000000,  0.0087781600000000 ]  - [   0.0025155400000000, -0.0039789900000000,  0.0095591300000000 ]  - [   0.0013146800000000, -0.0032594700000000,  0.0105128500000000 ]  - [   0.0023393800000000, -0.0041252300000000,  0.0097713400000000 ]  - [   0.0016722800000000, -0.0038904000000000,  0.0095619900000000 ]  - [   0.0022869600000000,  0.0042616000000000,  0.0099837400000000 ]  - [   0.0020093600000000,  0.0036954400000000,  0.0091606400000000 ]  - [   0.0020675900000000,  0.0040403800000000,  0.0097437100000000 ]  - [   0.0019393700000000,  0.0040877700000000,  0.0095254500000000 ]  - [   0.0020627000000000,  0.0040275900000000,  0.0097530700000000 ]  - [   0.0018520000000000,  0.0040551700000000,  0.0095194200000000 ]  - [  -0.0020124000000000,  0.0040392100000000, -0.0098719500000000 ]  - [  -0.0015612000000000,  0.0038618600000000, -0.0091180300000000 ]  - [  -0.0020279200000000,  0.0039928800000000, -0.0098063000000000 ]  - [  -0.0018504400000000,  0.0040224800000000, -0.0095696700000000 ]  - [  -0.0019963200000000,  0.0040309000000000, -0.0098656200000000 ]  - [  -0.0019058000000000,  0.0039871300000000, -0.0094874900000000 ]  - [  -0.0019968200000000,  0.0001948400000000, -0.0007986600000000 ]  - [  -0.0015069500000000, -0.0000347400000000, -0.0005488500000000 ]  - [  -0.0019983500000000,  0.0003386100000000, -0.0007989200000000 ]  - [   0.0099512800000000,  0.0105233900000000,  0.0088615300000000 ]  - [  -0.0019370900000000,  0.0001112000000000, -0.0006691900000000 ]  - [  -0.0017398300000000,  0.0002251800000000, -0.0006389700000000 ]  - [   0.0127641200000000,  0.0094564100000000, -0.0087727700000000 ]  - [   0.0018294300000000,  0.0003557500000000,  0.0007813900000000 ]  - [   0.0022014100000000, -0.0000654200000000,  0.0006099800000000 ]  - [   0.0017618400000000,  0.0002485600000000,  0.0007731500000000 ]  - [   0.0019780200000000,  0.0002098100000000,  0.0006624200000000 ]  - [   0.0017880300000000,  0.0001563600000000,  0.0006131500000000 ]  - [   0.0019425900000000, -0.0001151600000000,  0.0005915300000000 ]  - [   0.0017955700000000, -0.0002870400000000,  0.0005814200000000 ]  - [   0.0018890400000000, -0.0001834900000000,  0.0007234200000000 ]  - [   0.0017864300000000, -0.0002444700000000,  0.0006117100000000 ]  - [   0.0019080300000000, -0.0001234800000000,  0.0008147500000000 ]  - [   0.0017996800000000, -0.0002721300000000,  0.0005616800000000 ]  - [  -0.0023233000000000, -0.0003502700000000, -0.0009621800000000 ]  - [  -0.0018437300000000, -0.0002998700000000, -0.0005493000000000 ]  - [  -0.0019010600000000, -0.0001592800000000, -0.0006816200000000 ]  - [  -0.0018380000000000, -0.0003001300000000, -0.0005035000000000 ]  - [  -0.0019465700000000, -0.0001789200000000, -0.0007117800000000 ]  - [  -0.0018031100000000, -0.0002439300000000, -0.0006093300000000 ]  - [   0.0111719900000000,  0.0138410600000000,  0.0286472900000000 ]  - [   0.0163185100000000,  0.0157037600000000,  0.0315163600000000 ]  - [   0.0116588800000000,  0.0149231000000000,  0.0294204800000000 ]  - [   0.0117078600000000,  0.0150250800000000,  0.0285121900000000 ]  - [   0.0114023700000000,  0.0150046800000000,  0.0290058200000000 ]  - [   0.0113838800000000,  0.0149808000000000,  0.0290232100000000 ]  - [  -0.0088788100000000,  0.0168292000000000, -0.0305421600000000 ]  - [  -0.0120003900000000,  0.0148142200000000, -0.0280243400000000 ]  - [  -0.0097589500000000,  0.0138349900000000, -0.0274254200000000 ]  - [  -0.0118884900000000,  0.0154459500000000, -0.0291951200000000 ]  - [  -0.0113171000000000,  0.0148149100000000, -0.0290479200000000 ]  - [  -0.0114340500000000,  0.0148627400000000, -0.0289799400000000 ]  - [  -0.0116472600000000, -0.0151492900000000, -0.0290440100000000 ]  - [  -0.0113648600000000, -0.0147896800000000, -0.0291134000000000 ]  - [  -0.0114377000000000, -0.0148749900000000, -0.0287914100000000 ]  - [  -0.0112898800000000, -0.0148331400000000, -0.0292197900000000 ]  - [  -0.0113704200000000, -0.0148846400000000, -0.0290076400000000 ]  - [  -0.0113324600000000, -0.0147851600000000, -0.0291251900000000 ]  - [   0.0126044200000000, -0.0146720000000000,  0.0299579300000000 ]  - [   0.0112807900000000, -0.0148546200000000,  0.0291515700000000 ]  - [   0.0114941600000000, -0.0147237500000000,  0.0288405800000000 ]  - [   0.0112040000000000, -0.0148711700000000,  0.0292002500000000 ]  - [   0.0114214800000000, -0.0150542300000000,  0.0289989100000000 ]  - [   0.0113113600000000, -0.0148038300000000,  0.0290384300000000 ]  - [  -0.0025745200000000, -0.0141653400000000,  0.0074157000000000 ]  - [  -0.0076961900000000, -0.0164322100000000,  0.0105126700000000 ]  - [  -0.0069762900000000, -0.0150717800000000,  0.0100013200000000 ]  - [  -0.0069617400000000, -0.0149833900000000,  0.0099994300000000 ]  - [  -0.0066145100000000, -0.0152192400000000,  0.0107424100000000 ]  - [  -0.0068558800000000, -0.0151339800000000,  0.0094486900000000 ]  - [   0.0064983400000000, -0.0149470400000000, -0.0101803100000000 ]  - [   0.0085799300000000, -0.0158699900000000, -0.0107419200000000 ]  - [   0.0065773500000000, -0.0153841300000000, -0.0110286600000000 ]  - [   0.0095265600000000, -0.0133381900000000, -0.0085453200000000 ]  - [   0.0069364200000000, -0.0152150500000000, -0.0100818900000000 ]  - [   0.0070920600000000, -0.0152105900000000, -0.0098627500000000 ]  - [   0.0070603400000000,  0.0155013500000000, -0.0099883900000000 ]  - [   0.0071983200000000,  0.0150276800000000, -0.0096373500000000 ]  - [   0.0069764600000000,  0.0153341000000000, -0.0101268800000000 ]  - [   0.0071843800000000,  0.0152633500000000, -0.0098645700000000 ]  - [   0.0069004600000000,  0.0152815900000000, -0.0100650100000000 ]  - [   0.0071567300000000,  0.0151222000000000, -0.0099101000000000 ]  - [  -0.0065899100000000,  0.0151758700000000,  0.0096174700000000 ]  - [  -0.0071082400000000,  0.0152142200000000,  0.0098099200000000 ]  - [  -0.0068847500000000,  0.0152506400000000,  0.0100449400000000 ]  - [  -0.0070717200000000,  0.0150715000000000,  0.0097518900000000 ]  - [  -0.0069381700000000,  0.0152834100000000,  0.0099952200000000 ]  - [  -0.0071244900000000,  0.0151380600000000,  0.0099023400000000 ]- atom:    1  displacement:    [  -0.0099999306665748,  0.0000000000000000,  0.0000372379335754 ]  forces:  - [   0.0398226100000000,  0.0193281400000000, -0.0096646000000000 ]  - [  -0.0024152100000000, -0.0040579400000000, -0.0096746400000000 ]  - [  -0.0017693200000000, -0.0040005100000000, -0.0095761400000000 ]  - [  -0.0023651000000000, -0.0038251300000000, -0.0096375500000000 ]  - [  -0.0017702700000000, -0.0040228000000000, -0.0095704200000000 ]  - [  -0.0023615700000000, -0.0038008800000000, -0.0097808900000000 ]  - [   0.0013956200000000, -0.0041152900000000,  0.0095139200000000 ]  - [   0.0026024900000000, -0.0045960900000000,  0.0104920000000000 ]  - [   0.0013962000000000, -0.0040660400000000,  0.0097431500000000 ]  - [   0.0026057500000000, -0.0048052100000000,  0.0087655900000000 ]  - [   0.0015761100000000, -0.0039193700000000,  0.0095291800000000 ]  - [   0.0022427900000000, -0.0041552300000000,  0.0097357900000000 ]  - [   0.0016251700000000,  0.0037802000000000,  0.0093143100000000 ]  - [   0.0019011300000000,  0.0043458600000000,  0.0101371500000000 ]  - [   0.0018483900000000,  0.0040055500000000,  0.0095551400000000 ]  - [   0.0019790900000000,  0.0039597300000000,  0.0097745400000000 ]  - [   0.0018514600000000,  0.0040167900000000,  0.0095476500000000 ]  - [   0.0020610800000000,  0.0039896100000000,  0.0097802300000000 ]  - [  -0.0019008200000000,  0.0040047600000000, -0.0094308400000000 ]  - [  -0.0023517600000000,  0.0041802600000000, -0.0101825000000000 ]  - [  -0.0018853600000000,  0.0040504900000000, -0.0094944100000000 ]  - [  -0.0020635100000000,  0.0040215700000000, -0.0097301000000000 ]  - [  -0.0019169700000000,  0.0040127900000000, -0.0094356500000000 ]  - [  -0.0020087300000000,  0.0040581100000000, -0.0098112200000000 ]  - [  -0.0017308600000000,  0.0002136400000000, -0.0005069800000000 ]  - [  -0.0022142400000000,  0.0004342500000000, -0.0007599700000000 ]  - [  -0.0017327000000000,  0.0000693000000000, -0.0005065000000000 ]  - [  -0.0133415000000000, -0.0096118800000000, -0.0096446800000000 ]  - [  -0.0017878700000000,  0.0002983800000000, -0.0006367000000000 ]  - [  -0.0019851600000000,  0.0001827100000000, -0.0006664000000000 ]  - [  -0.0093260400000000, -0.0095131400000000,  0.0105738800000000 ]  - [   0.0018975300000000,  0.0000439900000000,  0.0005237400000000 ]  - [   0.0015205200000000,  0.0004723700000000,  0.0006925500000000 ]  - [   0.0019651500000000,  0.0001513200000000,  0.0005313600000000 ]  - [   0.0017506800000000,  0.0001898000000000,  0.0006431600000000 ]  - [   0.0019386500000000,  0.0002423900000000,  0.0006913300000000 ]  - [   0.0017813300000000, -0.0002927500000000,  0.0007154500000000 ]  - [   0.0019291800000000, -0.0001215600000000,  0.0007241800000000 ]  - [   0.0018346700000000, -0.0002236600000000,  0.0005811900000000 ]  - [   0.0019382100000000, -0.0001636600000000,  0.0006936800000000 ]  - [   0.0018156700000000, -0.0002838100000000,  0.0004898500000000 ]  - [   0.0019278000000000, -0.0001365400000000,  0.0007441100000000 ]  - [  -0.0014005500000000, -0.0000464400000000, -0.0003423700000000 ]  - [  -0.0018789000000000, -0.0001002600000000, -0.0007552600000000 ]  - [  -0.0018234800000000, -0.0002405400000000, -0.0006225300000000 ]  - [  -0.0018872700000000, -0.0000998100000000, -0.0007999000000000 ]  - [  -0.0017793000000000, -0.0002212200000000, -0.0005930000000000 ]  - [  -0.0019214800000000, -0.0001559100000000, -0.0006953900000000 ]  - [   0.0115323400000000,  0.0158968400000000,  0.0293954900000000 ]  - [   0.0064439300000000,  0.0140190700000000,  0.0265606600000000 ]  - [   0.0110389500000000,  0.0148085000000000,  0.0286070000000000 ]  - [   0.0109990000000000,  0.0147118900000000,  0.0295180800000000 ]  - [   0.0113018700000000,  0.0147308600000000,  0.0290320000000000 ]  - [   0.0113194900000000,  0.0147536800000000,  0.0290114300000000 ]  - [  -0.0138678800000000,  0.0128455100000000, -0.0275040900000000 ]  - [  -0.0106914700000000,  0.0149063400000000, -0.0299839600000000 ]  - [  -0.0129862800000000,  0.0159382200000000, -0.0306418900000000 ]  - [  -0.0108212400000000,  0.0142920900000000, -0.0288467400000000 ]  - [  -0.0113890400000000,  0.0149189100000000, -0.0289833800000000 ]  - [  -0.0112705400000000,  0.0148709500000000, -0.0290547500000000 ]  - [  -0.0110525700000000, -0.0145909500000000, -0.0289919600000000 ]  - [  -0.0113421100000000, -0.0149426000000000, -0.0289248300000000 ]  - [  -0.0112655600000000, -0.0148593100000000, -0.0292428200000000 ]  - [  -0.0114143300000000, -0.0149000700000000, -0.0288150400000000 ]  - [  -0.0113326900000000, -0.0148487900000000, -0.0290262700000000 ]  - [  -0.0113738000000000, -0.0149473700000000, -0.0289115600000000 ]  - [   0.0100820200000000, -0.0150661700000000,  0.0280516900000000 ]  - [   0.0114225000000000, -0.0148807300000000,  0.0288832500000000 ]  - [   0.0112071600000000, -0.0150102000000000,  0.0291956100000000 ]  - [   0.0115001300000000, -0.0148626500000000,  0.0288348400000000 ]  - [   0.0112846000000000, -0.0146785800000000,  0.0290355900000000 ]  - [   0.0113917000000000, -0.0149306000000000,  0.0289957400000000 ]  - [  -0.0115007700000000, -0.0162125200000000,  0.0125267400000000 ]  - [  -0.0063278300000000, -0.0139733100000000,  0.0093896100000000 ]  - [  -0.0070414600000000, -0.0153238200000000,  0.0098905400000000 ]  - [  -0.0070571500000000, -0.0154108800000000,  0.0098919900000000 ]  - [  -0.0074087300000000, -0.0151794200000000,  0.0091474800000000 ]  - [  -0.0071566400000000, -0.0152582600000000,  0.0104320000000000 ]  - [   0.0075250900000000, -0.0154498000000000, -0.0097125800000000 ]  - [   0.0054654400000000, -0.0145532600000000, -0.0091828000000000 ]  - [   0.0074291200000000, -0.0149933300000000, -0.0088404000000000 ]  - [   0.0045325400000000, -0.0170021900000000, -0.0113605700000000 ]  - [   0.0070832500000000, -0.0151808100000000, -0.0098112600000000 ]  - [   0.0069268800000000, -0.0151831600000000, -0.0100289200000000 ]  - [   0.0069594400000000,  0.0148940300000000, -0.0099033500000000 ]  - [   0.0068214100000000,  0.0153641700000000, -0.0102481700000000 ]  - [   0.0070414400000000,  0.0150571900000000, -0.0097662500000000 ]  - [   0.0068361100000000,  0.0151289500000000, -0.0100251200000000 ]  - [   0.0071199500000000,  0.0151110800000000, -0.0098263000000000 ]  - [   0.0068622500000000,  0.0152728400000000, -0.0099828500000000 ]  - [  -0.0074421600000000,  0.0152279200000000,  0.0102826100000000 ]  - [  -0.0069126500000000,  0.0151820900000000,  0.0100813800000000 ]  - [  -0.0071336000000000,  0.0151402600000000,  0.0098505800000000 ]  - [  -0.0069499900000000,  0.0153228800000000,  0.0101405500000000 ]  - [  -0.0070803700000000,  0.0151109900000000,  0.0098962500000000 ]  - [  -0.0068970300000000,  0.0152572000000000,  0.0099902800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0253489100000000, -0.0340949000000000, -0.0110293900000000 ]  - [  -0.0019222200000000, -0.0043838100000000, -0.0097157800000000 ]  - 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