# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f6d489c9-c512-4ded-ba97-2c8640ff9b21/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 Sr(GaAs)2 / P2/m (10) / materials id 972120](https://mdr.nims.go.jp/datasets/e70e1e32-8791-448b-80a2-796e9ada6b8d)

## 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/m"  number: 10  Hall_symbol: "-P 2y"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.498618029999999,     0.000000000000000,    -0.010554680000000 ] # a  - [     0.000000000000000,     4.047415880000000,     0.000000000000000 ] # b  - [    -1.226152710000000,     0.000000000000000,    12.390720480000001 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sr # 3    coordinates: [  0.800196470000000,  0.500000000000000,  0.223834370000000 ]    mass: 87.620000  - symbol: Sr # 4    coordinates: [  0.199803530000000,  0.500000000000000,  0.776165630000000 ]    mass: 87.620000  - symbol: Ga # 5    coordinates: [  0.196381940000000,  0.500000000000000,  0.324878870000000 ]    mass: 69.723000  - symbol: Ga # 6    coordinates: [  0.600148190000000,  0.000000000000000,  0.445945380000000 ]    mass: 69.723000  - symbol: Ga # 7    coordinates: [  0.803618060000000,  0.500000000000000,  0.675121130000000 ]    mass: 69.723000  - symbol: Ga # 8    coordinates: [  0.394427660000000,  0.500000000000000,  0.218643800000000 ]    mass: 69.723000  - symbol: Ga # 9    coordinates: [  0.605572340000000,  0.500000000000000,  0.781356200000000 ]    mass: 69.723000  - symbol: Ga # 10    coordinates: [  0.108375380000000,  0.000000000000000,  0.063351850000000 ]    mass: 69.723000  - symbol: Ga # 11    coordinates: [  0.891624620000000,  0.000000000000000,  0.936648150000000 ]    mass: 69.723000  - symbol: Ga # 12    coordinates: [  0.399851810000000,  0.000000000000000,  0.554054620000000 ]    mass: 69.723000  - symbol: As # 13    coordinates: [  0.052540680000000,  0.000000000000000,  0.257998630000000 ]    mass: 74.921600  - symbol: As # 14    coordinates: [  0.552028760000000,  0.000000000000000,  0.245348490000000 ]    mass: 74.921600  - symbol: As # 15    coordinates: [  0.947459320000000,  0.000000000000000,  0.742001370000000 ]    mass: 74.921600  - symbol: As # 16    coordinates: [  0.447971240000000,  0.000000000000000,  0.754651510000000 ]    mass: 74.921600  - symbol: As # 17    coordinates: [  0.243032420000000,  0.500000000000000,  0.525522170000000 ]    mass: 74.921600  - symbol: As # 18    coordinates: [  0.260009500000000,  0.500000000000000,  0.033269780000000 ]    mass: 74.921600  - symbol: As # 19    coordinates: [  0.739990500000000,  0.500000000000000,  0.966730220000000 ]    mass: 74.921600  - symbol: As # 20    coordinates: [  0.756967580000000,  0.500000000000000,  0.474477830000000 ]    mass: 74.921600  reciprocal_lattice: # without 2pi  - [     0.105290050448040,     0.000000000000000,     0.010419223071111 ] # a*  - [     0.000000000000000,     0.247071225109687,     0.000000000000000 ] # b*  - [     0.000089688310817,     0.000000000000000,     0.080714432480311 ] # c*unit_cell:  lattice:  - [     9.498618029999999,     0.000000000000000,    -0.010554680000000 ] # a  - [     0.000000000000000,     4.047415880000000,     0.000000000000000 ] # b  - [    -1.226152710000000,     0.000000000000000,    12.390720480000001 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.800196470000000,  0.500000000000000,  0.223834370000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.199803530000000,  0.500000000000000,  0.776165630000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Ga # 5    coordinates: [  0.196381940000000,  0.500000000000000,  0.324878870000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 6    coordinates: [  0.600148190000000,  0.000000000000000,  0.445945380000000 ]    mass: 69.723000    reduced_to: 6  - symbol: Ga # 7    coordinates: [  0.803618060000000,  0.500000000000000,  0.675121130000000 ]    mass: 69.723000    reduced_to: 7  - symbol: Ga # 8    coordinates: [  0.394427660000000,  0.500000000000000,  0.218643800000000 ]    mass: 69.723000    reduced_to: 8  - symbol: Ga # 9    coordinates: [  0.605572340000000,  0.500000000000000,  0.781356200000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 10    coordinates: [  0.108375380000000,  0.000000000000000,  0.063351850000000 ]    mass: 69.723000    reduced_to: 10  - symbol: Ga # 11    coordinates: [  0.891624620000000,  0.000000000000000,  0.936648150000000 ]    mass: 69.723000    reduced_to: 11  - symbol: Ga # 12    coordinates: [  0.399851810000000,  0.000000000000000,  0.554054620000000 ]    mass: 69.723000    reduced_to: 12  - symbol: As # 13    coordinates: [  0.052540680000000,  0.000000000000000,  0.257998630000000 ]    mass: 74.921600    reduced_to: 13  - symbol: As # 14    coordinates: [  0.552028760000000,  0.000000000000000,  0.245348490000000 ]    mass: 74.921600    reduced_to: 14  - symbol: As # 15    coordinates: [  0.947459320000000,  0.000000000000000,  0.742001370000000 ]    mass: 74.921600    reduced_to: 15  - symbol: As # 16    coordinates: [  0.447971240000000,  0.000000000000000,  0.754651510000000 ]    mass: 74.921600    reduced_to: 16  - symbol: As # 17    coordinates: [  0.243032420000000,  0.500000000000000,  0.525522170000000 ]    mass: 74.921600    reduced_to: 17  - symbol: As # 18    coordinates: [  0.260009500000000,  0.500000000000000,  0.033269780000000 ]    mass: 74.921600    reduced_to: 18  - symbol: As # 19    coordinates: [  0.739990500000000,  0.500000000000000,  0.966730220000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 20    coordinates: [  0.756967580000000,  0.500000000000000,  0.474477830000000 ]    mass: 74.921600    reduced_to: 20supercell:  lattice:  - [    18.997236059999999,     0.000000000000000,    -0.021109360000000 ] # a  - [     0.000000000000000,    12.142247640000001,     0.000000000000000 ] # b  - [    -1.226152710000000,     0.000000000000000,    12.390720480000001 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.250000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.750000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 5    coordinates: [  0.250000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.750000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 9    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 10    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 11    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 12    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 13    coordinates: [  0.400098235000000,  0.166666666666667,  0.223834370000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 14    coordinates: [  0.900098235000000,  0.166666666666667,  0.223834370000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 15    coordinates: [  0.400098235000000,  0.500000000000000,  0.223834370000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 16    coordinates: [  0.900098235000000,  0.500000000000000,  0.223834370000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 17    coordinates: [  0.400098235000000,  0.833333333333333,  0.223834370000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 18    coordinates: [  0.900098235000000,  0.833333333333333,  0.223834370000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 19    coordinates: [  0.099901765000000,  0.166666666666667,  0.776165630000000 ]    mass: 87.620000    reduced_to: 19  - symbol: Sr # 20    coordinates: [  0.599901765000000,  0.166666666666667,  0.776165630000000 ]    mass: 87.620000    reduced_to: 19  - symbol: Sr # 21    coordinates: [  0.099901765000000,  0.500000000000000,  0.776165630000000 ]    mass: 87.620000    reduced_to: 19  - symbol: Sr # 22    coordinates: [  0.599901765000000,  0.500000000000000,  0.776165630000000 ]    mass: 87.620000    reduced_to: 19  - symbol: Sr # 23    coordinates: [  0.099901765000000,  0.833333333333333,  0.776165630000000 ]    mass: 87.620000    reduced_to: 19  - symbol: Sr # 24    coordinates: [  0.599901765000000,  0.833333333333333,  0.776165630000000 ]    mass: 87.620000    reduced_to: 19  - symbol: Ga # 25    coordinates: [  0.098190970000000,  0.166666666666667,  0.324878870000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 26    coordinates: [  0.598190970000000,  0.166666666666667,  0.324878870000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 27    coordinates: [  0.098190970000000,  0.500000000000000,  0.324878870000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 28    coordinates: [  0.598190970000000,  0.500000000000000,  0.324878870000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 29    coordinates: [  0.098190970000000,  0.833333333333333,  0.324878870000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 30    coordinates: [  0.598190970000000,  0.833333333333333,  0.324878870000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 31    coordinates: [  0.300074095000000,  0.000000000000000,  0.445945380000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 32    coordinates: [  0.800074095000000,  0.000000000000000,  0.445945380000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 33    coordinates: [  0.300074095000000,  0.333333333333333,  0.445945380000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 34    coordinates: [  0.800074095000000,  0.333333333333333,  0.445945380000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 35    coordinates: [  0.300074095000000,  0.666666666666667,  0.445945380000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 36    coordinates: [  0.800074095000000,  0.666666666666667,  0.445945380000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 37    coordinates: [  0.401809030000000,  0.166666666666667,  0.675121130000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 38    coordinates: [  0.901809030000000,  0.166666666666667,  0.675121130000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 39    coordinates: [  0.401809030000000,  0.500000000000000,  0.675121130000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 40    coordinates: [  0.901809030000000,  0.500000000000000,  0.675121130000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 41    coordinates: [  0.401809030000000,  0.833333333333333,  0.675121130000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 42    coordinates: [  0.901809030000000,  0.833333333333333,  0.675121130000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 43    coordinates: [  0.197213830000000,  0.166666666666667,  0.218643800000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 44    coordinates: [  0.697213830000000,  0.166666666666667,  0.218643800000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 45    coordinates: [  0.197213830000000,  0.500000000000000,  0.218643800000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 46    coordinates: [  0.697213830000000,  0.500000000000000,  0.218643800000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 47    coordinates: [  0.197213830000000,  0.833333333333333,  0.218643800000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 48    coordinates: [  0.697213830000000,  0.833333333333333,  0.218643800000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 49    coordinates: [  0.302786170000000,  0.166666666666667,  0.781356200000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 50    coordinates: [  0.802786170000000,  0.166666666666667,  0.781356200000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 51    coordinates: [  0.302786170000000,  0.500000000000000,  0.781356200000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 52    coordinates: [  0.802786170000000,  0.500000000000000,  0.781356200000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 53    coordinates: [  0.302786170000000,  0.833333333333333,  0.781356200000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 54    coordinates: [  0.802786170000000,  0.833333333333333,  0.781356200000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 55    coordinates: [  0.054187690000000,  0.000000000000000,  0.063351850000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 56    coordinates: [  0.554187690000000,  0.000000000000000,  0.063351850000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 57    coordinates: [  0.054187690000000,  0.333333333333333,  0.063351850000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 58    coordinates: [  0.554187690000000,  0.333333333333333,  0.063351850000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 59    coordinates: [  0.054187690000000,  0.666666666666667,  0.063351850000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 60    coordinates: [  0.554187690000000,  0.666666666666667,  0.063351850000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 61    coordinates: [  0.445812310000000,  0.000000000000000,  0.936648150000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 62    coordinates: [  0.945812310000000,  0.000000000000000,  0.936648150000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 63    coordinates: [  0.445812310000000,  0.333333333333333,  0.936648150000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 64    coordinates: [  0.945812310000000,  0.333333333333333,  0.936648150000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 65    coordinates: [  0.445812310000000,  0.666666666666667,  0.936648150000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 66    coordinates: [  0.945812310000000,  0.666666666666667,  0.936648150000000 ]    mass: 69.723000    reduced_to: 61  - symbol: Ga # 67    coordinates: [  0.199925905000000,  0.000000000000000,  0.554054620000000 ]    mass: 69.723000    reduced_to: 67  - symbol: Ga # 68    coordinates: [  0.699925905000000,  0.000000000000000,  0.554054620000000 ]    mass: 69.723000    reduced_to: 67  - symbol: Ga # 69    coordinates: [  0.199925905000000,  0.333333333333333,  0.554054620000000 ]    mass: 69.723000    reduced_to: 67  - symbol: Ga # 70    coordinates: [  0.699925905000000,  0.333333333333333,  0.554054620000000 ]    mass: 69.723000    reduced_to: 67  - symbol: Ga # 71    coordinates: [  0.199925905000000,  0.666666666666667,  0.554054620000000 ]    mass: 69.723000    reduced_to: 67  - symbol: Ga # 72    coordinates: [  0.699925905000000,  0.666666666666667,  0.554054620000000 ]    mass: 69.723000    reduced_to: 67  - symbol: As # 73    coordinates: [  0.026270340000000,  0.000000000000000,  0.257998630000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 74    coordinates: [  0.526270340000000,  0.000000000000000,  0.257998630000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 75    coordinates: [  0.026270340000000,  0.333333333333333,  0.257998630000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 76    coordinates: [  0.526270340000000,  0.333333333333333,  0.257998630000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 77    coordinates: [  0.026270340000000,  0.666666666666667,  0.257998630000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 78    coordinates: [  0.526270340000000,  0.666666666666667,  0.257998630000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 79    coordinates: [  0.276014380000000,  0.000000000000000,  0.245348490000000 ]    mass: 74.921600    reduced_to: 79  - 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symbol: As # 96    coordinates: [  0.723985620000000,  0.666666666666667,  0.754651510000000 ]    mass: 74.921600    reduced_to: 91  - symbol: As # 97    coordinates: [  0.121516210000000,  0.166666666666667,  0.525522170000000 ]    mass: 74.921600    reduced_to: 97  - symbol: As # 98    coordinates: [  0.621516210000000,  0.166666666666667,  0.525522170000000 ]    mass: 74.921600    reduced_to: 97  - symbol: As # 99    coordinates: [  0.121516210000000,  0.500000000000000,  0.525522170000000 ]    mass: 74.921600    reduced_to: 97  - symbol: As # 100    coordinates: [  0.621516210000000,  0.500000000000000,  0.525522170000000 ]    mass: 74.921600    reduced_to: 97  - symbol: As # 101    coordinates: [  0.121516210000000,  0.833333333333333,  0.525522170000000 ]    mass: 74.921600    reduced_to: 97  - symbol: As # 102    coordinates: [  0.621516210000000,  0.833333333333333,  0.525522170000000 ]    mass: 74.921600    reduced_to: 97  - symbol: As # 103    coordinates: [  0.130004750000000,  0.166666666666667,  0.033269780000000 ]    mass: 74.921600    reduced_to: 103  - 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symbol: As # 112    coordinates: [  0.869995250000000,  0.500000000000000,  0.966730220000000 ]    mass: 74.921600    reduced_to: 109  - symbol: As # 113    coordinates: [  0.369995250000000,  0.833333333333333,  0.966730220000000 ]    mass: 74.921600    reduced_to: 109  - symbol: As # 114    coordinates: [  0.869995250000000,  0.833333333333333,  0.966730220000000 ]    mass: 74.921600    reduced_to: 109  - symbol: As # 115    coordinates: [  0.378483790000000,  0.166666666666667,  0.474477830000000 ]    mass: 74.921600    reduced_to: 115  - symbol: As # 116    coordinates: [  0.878483790000000,  0.166666666666667,  0.474477830000000 ]    mass: 74.921600    reduced_to: 115  - symbol: As # 117    coordinates: [  0.378483790000000,  0.500000000000000,  0.474477830000000 ]    mass: 74.921600    reduced_to: 115  - symbol: As # 118    coordinates: [  0.878483790000000,  0.500000000000000,  0.474477830000000 ]    mass: 74.921600    reduced_to: 115  - symbol: As # 119    coordinates: [  0.378483790000000,  0.833333333333333,  0.474477830000000 ]    mass: 74.921600    reduced_to: 115  - symbol: As # 120    coordinates: [  0.878483790000000,  0.833333333333333,  0.474477830000000 ]    mass: 74.921600    reduced_to: 115born_effective_charge:- # 1 (Sr)  - [  2.857236570000000,  0.000000000000000, -2.033637710000000 ]  - [  0.000000000000000,  2.290436230000000,  0.000000000000000 ]  - [ -1.019887920000000,  0.000000000000000,  2.833043750000000 ]- # 2 (Sr)  - [  4.136413290000000,  0.000000000000000, -0.230646610000000 ]  - [  0.000000000000000,  2.218589780000000,  0.000000000000000 ]  - [ -0.757674960000000,  0.000000000000000,  2.319056870000000 ]- # 3 (Sr)  - [  3.723259560000000,  0.000000000000000, -0.139913000000000 ]  - [  0.000000000000000,  2.386343010000000,  0.000000000000000 ]  - [ -0.436601330000000,  0.000000000000000,  3.086174320000000 ]- # 4 (Sr)  - [  3.723259560000000,  0.000000000000000, -0.139913000000000 ]  - [  0.000000000000000,  2.386343010000000,  0.000000000000000 ]  - [ -0.436601330000000,  0.000000000000000,  3.086174320000000 ]- # 5 (Ga)  - [ -0.205846710000000,  0.000000000000000,  1.042989010000000 ]  - [  0.000000000000000,  2.287592360000000,  0.000000000000000 ]  - [  0.163462570000000,  0.000000000000000,  1.811150380000000 ]- # 6 (Ga)  - [  1.138313350000000,  0.000000000000000,  0.667116460000000 ]  - [  0.000000000000000,  2.450811160000000,  0.000000000000000 ]  - [  0.543467140000000,  0.000000000000000,  1.915415340000000 ]- # 7 (Ga)  - [ -0.205846710000000,  0.000000000000000,  1.042989010000000 ]  - [  0.000000000000000,  2.287592360000000,  0.000000000000000 ]  - [  0.163462570000000,  0.000000000000000,  1.811150380000000 ]- # 8 (Ga)  - [  0.656209500000000,  0.000000000000000, -0.223409100000000 ]  - [  0.000000000000000,  2.415483450000000,  0.000000000000000 ]  - [  0.794469990000000,  0.000000000000000,  1.377955660000000 ]- # 9 (Ga)  - [  0.656209500000000,  0.000000000000000, -0.223409100000000 ]  - [  0.000000000000000,  2.415483450000000,  0.000000000000000 ]  - [  0.794469990000000,  0.000000000000000,  1.377955660000000 ]- # 10 (Ga)  - [  1.403389520000000,  0.000000000000000,  1.438173370000000 ]  - [  0.000000000000000,  2.147928840000000,  0.000000000000000 ]  - [  0.478961740000000,  0.000000000000000,  1.602351780000000 ]- # 11 (Ga)  - [  1.403389520000000,  0.000000000000000,  1.438173370000000 ]  - [  0.000000000000000,  2.147928840000000,  0.000000000000000 ]  - [  0.478961740000000,  0.000000000000000,  1.602351780000000 ]- # 12 (Ga)  - [  1.138313350000000,  0.000000000000000,  0.667116460000000 ]  - [  0.000000000000000,  2.450811160000000,  0.000000000000000 ]  - [  0.543467140000000,  0.000000000000000,  1.915415340000000 ]- # 13 (As)  - [ -2.182989400000000,  0.000000000000000, -1.945515700000000 ]  - [  0.000000000000000, -3.395551160000000,  0.000000000000000 ]  - [  0.105120260000000,  0.000000000000000, -2.909587680000000 ]- # 14 (As)  - [ -3.136999670000000,  0.000000000000000, -0.281483600000000 ]  - [  0.000000000000000, -3.532798420000000,  0.000000000000000 ]  - [ -0.248497740000000,  0.000000000000000, -3.058475870000000 ]- # 15 (As)  - [ -2.182989400000000,  0.000000000000000, -1.945515700000000 ]  - [  0.000000000000000, -3.395551160000000,  0.000000000000000 ]  - [  0.105120260000000,  0.000000000000000, -2.909587680000000 ]- # 16 (As)  - [ -3.136999670000000,  0.000000000000000, -0.281483600000000 ]  - [  0.000000000000000, -3.532798420000000,  0.000000000000000 ]  - [ -0.248497740000000,  0.000000000000000, -3.058475870000000 ]- # 17 (As)  - [ -1.965389200000000,  0.000000000000000, -0.795909340000000 ]  - [  0.000000000000000, -3.515752640000000,  0.000000000000000 ]  - [ -0.010319060000000,  0.000000000000000, -3.147996540000000 ]- # 18 (As)  - [ -2.926771870000000,  0.000000000000000,  1.370094050000000 ]  - [  0.000000000000000, -3.498569610000000,  0.000000000000000 ]  - [ -0.501282140000000,  0.000000000000000, -3.253037690000000 ]- # 19 (As)  - [ -2.926771870000000,  0.000000000000000,  1.370094050000000 ]  - [  0.000000000000000, -3.498569610000000,  0.000000000000000 ]  - [ -0.501282140000000,  0.000000000000000, -3.253037690000000 ]- # 20 (As)  - 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[   0.0097714800000000, -0.0078098500000000,  0.0067216000000000 ]  - [   0.0012603100000000, -0.0000650700000000,  0.0075031400000000 ]  - [  -0.0026289200000000, -0.0000735700000000,  0.0016120000000000 ]  - [  -0.0028630000000000,  0.0000562300000000,  0.0009418700000000 ]  - [  -0.0023881900000000,  0.0000000000000000,  0.0013259500000000 ]  - [  -0.0027845700000000,  0.0000000000000000,  0.0007805800000000 ]  - [  -0.0026289200000000,  0.0000735700000000,  0.0016120000000000 ]  - [  -0.0028630000000000, -0.0000562300000000,  0.0009418700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0470963000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001521300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0070866100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000056000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0069714400000000,  0.0000000000000000 ]  - 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