# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2f468a56-8110-4914-bc4a-368bc780079e/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 TbLiSe2 / R-3m (166) / materials id 15793](https://mdr.nims.go.jp/datasets/a1b60d45-8e30-4ade-95af-ba54bd786fba)

## 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: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.014206156666669,     1.162902466666666,     6.379576016666660 ] # a  - [    -2.014206153333332,     1.162902466666666,     6.379576016666660 ] # b  - [    -0.000000003333331,    -2.325804933333334,     6.379576016666660 ] # c  points:  - symbol: Li # 1    coordinates: [  0.500000000000000,  0.500000000000002,  0.500000000000000 ]    mass: 6.941000  - symbol: Se # 2    coordinates: [  0.247939310000000,  0.247939300000002,  0.247939310000000 ]    mass: 78.960000  - symbol: Se # 3    coordinates: [  0.752060690000000,  0.752060700000001,  0.752060690000000 ]    mass: 78.960000  - symbol: Tb # 4    coordinates: [  1.000000000000000,  0.999999990000001,  0.000000000000000 ]    mass: 158.925350  reciprocal_lattice: # without 2pi  - [     0.248236755090246,     0.143319556910624,     0.052250076253108 ] # a*  - [    -0.248236755090245,     0.143319557622168,     0.052250076253108 ] # b*  - [     0.000000000000000,    -0.286639114532792,     0.052250076253108 ] # c*unit_cell:  lattice:  - [     4.028412310000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.014206150000000,     3.488707400000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.138728050000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Se # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.581272640000000 ]    mass: 78.960000    reduced_to: 4  - symbol: Se # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.418727360000000 ]    mass: 78.960000    reduced_to: 5  - symbol: Se # 6    coordinates: [  0.333333330000000,  0.666666670000000,  0.914605970000000 ]    mass: 78.960000    reduced_to: 4  - symbol: Se # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.752060700000000 ]    mass: 78.960000    reduced_to: 5  - symbol: Se # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.247939300000000 ]    mass: 78.960000    reduced_to: 4  - symbol: Se # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.085394030000000 ]    mass: 78.960000    reduced_to: 5  - symbol: Tb # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 158.925350    reduced_to: 10  - symbol: Tb # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 158.925350    reduced_to: 10  - symbol: Tb # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 158.925350    reduced_to: 10supercell:  lattice:  - [    12.085236930000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.042618450000001,    10.466122200000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.138728050000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.222222223333333,  0.111111110000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.555555556666667,  0.111111110000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.888888890000000,  0.111111110000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 13    coordinates: [  0.222222223333333,  0.444444443333333,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.555555556666667,  0.444444443333333,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 15    coordinates: [  0.888888890000000,  0.444444443333333,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 16    coordinates: [  0.222222223333333,  0.777777776666667,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 17    coordinates: [  0.555555556666667,  0.777777776666667,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.888888890000000,  0.777777776666667,  0.833333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 19    coordinates: [  0.111111110000000,  0.222222223333333,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 20    coordinates: [  0.444444443333333,  0.222222223333333,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 21    coordinates: [  0.777777776666667,  0.222222223333333,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 22    coordinates: [  0.111111110000000,  0.555555556666667,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 23    coordinates: [  0.444444443333333,  0.555555556666667,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 24    coordinates: [  0.777777776666667,  0.555555556666667,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 25    coordinates: [  0.111111110000000,  0.888888890000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 26    coordinates: [  0.444444443333333,  0.888888890000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 27    coordinates: [  0.777777776666667,  0.888888890000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Se # 28    coordinates: [  0.222222223333333,  0.111111110000000,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 29    coordinates: [  0.555555556666667,  0.111111110000000,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 30    coordinates: [  0.888888890000000,  0.111111110000000,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 31    coordinates: [  0.222222223333333,  0.444444443333333,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 32    coordinates: [  0.555555556666667,  0.444444443333333,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 33    coordinates: [  0.888888890000000,  0.444444443333333,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 34    coordinates: [  0.222222223333333,  0.777777776666667,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 35    coordinates: [  0.555555556666667,  0.777777776666667,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 36    coordinates: [  0.888888890000000,  0.777777776666667,  0.581272640000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 37    coordinates: [  0.111111110000000,  0.222222223333333,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 38    coordinates: [  0.444444443333333,  0.222222223333333,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 39    coordinates: [  0.777777776666667,  0.222222223333333,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 40    coordinates: [  0.111111110000000,  0.555555556666667,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 41    coordinates: [  0.444444443333333,  0.555555556666667,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 42    coordinates: [  0.777777776666667,  0.555555556666667,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 43    coordinates: [  0.111111110000000,  0.888888890000000,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 44    coordinates: [  0.444444443333333,  0.888888890000000,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 45    coordinates: [  0.777777776666667,  0.888888890000000,  0.418727360000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 46    coordinates: [  0.111111110000000,  0.222222223333333,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 47    coordinates: [  0.444444443333333,  0.222222223333333,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 48    coordinates: [  0.777777776666667,  0.222222223333333,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 49    coordinates: [  0.111111110000000,  0.555555556666667,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 50    coordinates: [  0.444444443333333,  0.555555556666667,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 51    coordinates: [  0.777777776666667,  0.555555556666667,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 52    coordinates: [  0.111111110000000,  0.888888890000000,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 53    coordinates: [  0.444444443333333,  0.888888890000000,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 54    coordinates: [  0.777777776666667,  0.888888890000000,  0.914605970000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.752060700000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 65    coordinates: [  0.333333333333333,  0.000000000000000,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 66    coordinates: [  0.666666666666667,  0.000000000000000,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 67    coordinates: [  0.000000000000000,  0.333333333333333,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 68    coordinates: [  0.333333333333333,  0.333333333333333,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 69    coordinates: [  0.666666666666667,  0.333333333333333,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 70    coordinates: [  0.000000000000000,  0.666666666666667,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 71    coordinates: [  0.333333333333333,  0.666666666666667,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 72    coordinates: [  0.666666666666667,  0.666666666666667,  0.247939300000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 73    coordinates: [  0.222222223333333,  0.111111110000000,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 74    coordinates: [  0.555555556666667,  0.111111110000000,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 75    coordinates: [  0.888888890000000,  0.111111110000000,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 76    coordinates: [  0.222222223333333,  0.444444443333333,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 77    coordinates: [  0.555555556666667,  0.444444443333333,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 78    coordinates: [  0.888888890000000,  0.444444443333333,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 79    coordinates: [  0.222222223333333,  0.777777776666667,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 80    coordinates: [  0.555555556666667,  0.777777776666667,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 81    coordinates: [  0.888888890000000,  0.777777776666667,  0.085394030000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Tb # 82    coordinates: [  0.222222223333333,  0.111111110000000,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 83    coordinates: [  0.555555556666667,  0.111111110000000,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 84    coordinates: [  0.888888890000000,  0.111111110000000,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 85    coordinates: [  0.222222223333333,  0.444444443333333,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 86    coordinates: [  0.555555556666667,  0.444444443333333,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 87    coordinates: [  0.888888890000000,  0.444444443333333,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 88    coordinates: [  0.222222223333333,  0.777777776666667,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 89    coordinates: [  0.555555556666667,  0.777777776666667,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 90    coordinates: [  0.888888890000000,  0.777777776666667,  0.333333330000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 91    coordinates: [  0.111111110000000,  0.222222223333333,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 92    coordinates: [  0.444444443333333,  0.222222223333333,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 93    coordinates: [  0.777777776666667,  0.222222223333333,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 94    coordinates: [  0.111111110000000,  0.555555556666667,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 95    coordinates: [  0.444444443333333,  0.555555556666667,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 96    coordinates: [  0.777777776666667,  0.555555556666667,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 97    coordinates: [  0.111111110000000,  0.888888890000000,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 98    coordinates: [  0.444444443333333,  0.888888890000000,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 99    coordinates: [  0.777777776666667,  0.888888890000000,  0.666666670000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82  - symbol: Tb # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 158.925350    reduced_to: 82born_effective_charge:- # 1 (Li)  - [  1.286375280000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.286375280000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  1.727034400000000 ]- # 2 (Se)  - [ -2.938196940000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -2.938196940000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.067553250000000 ]- # 3 (Se)  - [ -2.938196940000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -2.938196940000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.067553250000000 ]- # 4 (Tb)  - [  4.590018600000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.590018600000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.408072100000000 ]dielectric_constant:  - [  8.301530390000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  8.301530400000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  6.441715000000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0098394600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009282800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009873300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000466400000000, -0.0006194900000000,  0.0004187700000000 ]  - [  -0.0000808000000000,  0.0005613000000000, -0.0004202500000000 ]  - [   0.0001702100000000, -0.0000010400000000,  0.0000025300000000 ]  - [  -0.0000808000000000, -0.0005613000000000,  0.0004202500000000 ]  - [   0.0001702100000000,  0.0000010400000000, -0.0000025300000000 ]  - [  -0.0000466400000000,  0.0006194900000000, -0.0004187700000000 ]  - [  -0.0000300100000000, -0.0000187200000000,  0.0000682600000000 ]  - [   0.0001115800000000,  0.0000132400000000,  0.0000027500000000 ]  - [  -0.0000716900000000,  0.0000449400000000, -0.0000482300000000 ]  - [  -0.0001397400000000,  0.0000071100000000,  0.0000127100000000 ]  - [   0.0000944000000000,  0.0000098900000000, -0.0000123400000000 ]  - [   0.0000725200000000, -0.0000229200000000,  0.0000177100000000 ]  - [  -0.0000003600000000, -0.0000809500000000,  0.0000660200000000 ]  - [  -0.0000135300000000,  0.0000724000000000, -0.0000413200000000 ]  - [   0.0000038400000000, -0.0000247100000000,  0.0000099300000000 ]  - [   0.0000038400000000,  0.0000247100000000, -0.0000099300000000 ]  - [  -0.0000003600000000,  0.0000809500000000, -0.0000660200000000 ]  - [  -0.0000135300000000, -0.0000724000000000,  0.0000413200000000 ]  - [   0.0000944000000000, -0.0000098900000000,  0.0000123400000000 ]  - [   0.0000725200000000,  0.0000229200000000, -0.0000177100000000 ]  - [  -0.0001397400000000, -0.0000071100000000, -0.0000127100000000 ]  - [  -0.0000300100000000,  0.0000187200000000, -0.0000682600000000 ]  - [   0.0001115800000000, -0.0000132400000000, -0.0000027500000000 ]  - [  -0.0000716900000000, -0.0000449400000000,  0.0000482300000000 ]  - [   0.0023615600000000,  0.0006410200000000, -0.0002088500000000 ]  - [  -0.0007229500000000,  0.0000007700000000, -0.0000082000000000 ]  - [   0.0022731500000000, -0.0005871200000000,  0.0002684900000000 ]  - [   0.0002373900000000, -0.0000033400000000, -0.0000076400000000 ]  - [  -0.0001142900000000, -0.0003524900000000,  0.0000036300000000 ]  - [  -0.0001148100000000,  0.0003495800000000, -0.0000199200000000 ]  - [  -0.0002814400000000,  0.0002995600000000, -0.0002541600000000 ]  - [  -0.0002776100000000, -0.0002975900000000,  0.0002375400000000 ]  - [   0.0012536300000000,  0.0000114900000000, -0.0000118000000000 ]  - [   0.0012536300000000, -0.0000114900000000,  0.0000118000000000 ]  - [  -0.0002814400000000, -0.0002995600000000,  0.0002541600000000 ]  - [  -0.0002776100000000,  0.0002975900000000, -0.0002375400000000 ]  - [  -0.0001142900000000,  0.0003524900000000, -0.0000036300000000 ]  - [  -0.0001148100000000, -0.0003495800000000,  0.0000199200000000 ]  - [   0.0002373900000000,  0.0000033400000000,  0.0000076400000000 ]  - [   0.0023615600000000, -0.0006410200000000,  0.0002088500000000 ]  - [  -0.0007229500000000, -0.0000007700000000,  0.0000082000000000 ]  - [   0.0022731500000000,  0.0005871200000000, -0.0002684900000000 ]  - [   0.0000240100000000, -0.0000012700000000, -0.0000053500000000 ]  - [  -0.0000189600000000, -0.0000152300000000, -0.0000467300000000 ]  - [  -0.0000128600000000,  0.0000105600000000,  0.0000332500000000 ]  - [   0.0000030700000000,  0.0000290400000000,  0.0000520300000000 ]  - [  -0.0000030300000000, -0.0000277400000000, -0.0000654000000000 ]  - [   0.0000061700000000,  0.0000036800000000, -0.0000070300000000 ]  - [   0.0000183000000000,  0.0000023500000000, -0.0000110600000000 ]  - [  -0.0000492800000000, -0.0000034700000000, -0.0000062300000000 ]  - [   0.0000214000000000, -0.0000027900000000, -0.0000000900000000 ]  - [   0.0005551700000000,  0.0000011700000000,  0.0000096200000000 ]  - [  -0.0003425700000000,  0.0002399600000000, -0.0002873600000000 ]  - [  -0.0003505200000000, -0.0002386200000000,  0.0003083300000000 ]  - [   0.0002365500000000,  0.0003838900000000,  0.0002862500000000 ]  - [   0.0002382700000000, -0.0003783500000000, -0.0002679600000000 ]  - [  -0.0007488600000000, -0.0000005000000000,  0.0000117600000000 ]  - [   0.0000706700000000,  0.0001929900000000, -0.0000097700000000 ]  - [  -0.0000564400000000,  0.0000000900000000,  0.0000122000000000 ]  - [   0.0000659900000000, -0.0001979200000000,  0.0000317000000000 ]  - [   0.0005551700000000, -0.0000011700000000, -0.0000096200000000 ]  - [  -0.0003425700000000, -0.0002399600000000,  0.0002873600000000 ]  - [  -0.0003505200000000,  0.0002386200000000, -0.0003083300000000 ]  - [   0.0000659900000000,  0.0001979200000000, -0.0000317000000000 ]  - [   0.0000706700000000, -0.0001929900000000,  0.0000097700000000 ]  - [  -0.0000564400000000, -0.0000000900000000, -0.0000122000000000 ]  - [   0.0002382700000000,  0.0003783500000000,  0.0002679600000000 ]  - [  -0.0007488600000000,  0.0000005000000000, -0.0000117600000000 ]  - [   0.0002365500000000, -0.0003838900000000, -0.0002862500000000 ]  - [   0.0000183000000000, -0.0000023500000000,  0.0000110600000000 ]  - [  -0.0000492800000000,  0.0000034700000000,  0.0000062300000000 ]  - [   0.0000214000000000,  0.0000027900000000,  0.0000000900000000 ]  - [   0.0000061700000000, -0.0000036800000000,  0.0000070300000000 ]  - [   0.0000030700000000, -0.0000290400000000, -0.0000520300000000 ]  - [  -0.0000030300000000,  0.0000277400000000,  0.0000654000000000 ]  - [  -0.0000189600000000,  0.0000152300000000,  0.0000467300000000 ]  - [  -0.0000128600000000, -0.0000105600000000, -0.0000332500000000 ]  - [   0.0000240100000000,  0.0000012700000000,  0.0000053500000000 ]  - [  -0.0002933500000000,  0.0020421900000000, -0.0015403500000000 ]  - [   0.0006552100000000, -0.0000012600000000,  0.0000022500000000 ]  - [  -0.0002886600000000, -0.0020325400000000,  0.0015394200000000 ]  - [   0.0003686700000000, -0.0000007700000000,  0.0000021600000000 ]  - [  -0.0001161200000000,  0.0004448200000000, -0.0001311300000000 ]  - [  -0.0001132700000000, -0.0004444300000000,  0.0001361500000000 ]  - [   0.0016160000000000, -0.0007188900000000, -0.0008601100000000 ]  - [   0.0016082900000000,  0.0007166800000000,  0.0008618900000000 ]  - [  -0.0038200200000000, -0.0000005600000000,  0.0000021400000000 ]  - [  -0.0038200200000000,  0.0000005600000000, -0.0000021400000000 ]  - [   0.0016160000000000,  0.0007188900000000,  0.0008601100000000 ]  - [   0.0016082900000000, -0.0007166800000000, -0.0008618900000000 ]  - [  -0.0001161200000000, -0.0004448200000000,  0.0001311300000000 ]  - [  -0.0001132700000000,  0.0004444300000000, -0.0001361500000000 ]  - [   0.0003686700000000,  0.0000007700000000, -0.0000021600000000 ]  - [  -0.0002933500000000, -0.0020421900000000,  0.0015403500000000 ]  - [   0.0006552100000000,  0.0000012600000000, -0.0000022500000000 ]  - [  -0.0002886600000000,  0.0020325400000000, -0.0015394200000000 ]  - [  -0.0000105300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000064900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000111800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000107600000000, -0.0000021400000000, -0.0000325900000000 ]  - [   0.0000076000000000, -0.0000025900000000,  0.0000325700000000 ]  - [  -0.0000182400000000, -0.0000000700000000,  0.0000003900000000 ]  - [   0.0000076000000000,  0.0000025900000000, -0.0000325700000000 ]  - [  -0.0000182400000000,  0.0000000700000000, -0.0000003900000000 ]  - [   0.0000107600000000,  0.0000021400000000,  0.0000325900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0114901500000000 ]  - [  -0.0000339700000000, -0.0004844100000000, -0.0013105700000000 ]  - [   0.0000339700000000, -0.0004844100000000, -0.0013105700000000 ]  - [   0.0004365000000000,  0.0002127900000000, -0.0013105700000000 ]  - [  -0.0004365000000000,  0.0002127900000000, -0.0013105700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007020200000000 ]  - [   0.0004025300000000,  0.0002716300000000, -0.0013105700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007062300000000 ]  - [  -0.0004025300000000,  0.0002716300000000, -0.0013105700000000 ]  - [   0.0000799000000000,  0.0000461300000000,  0.0003662700000000 ]  - [   0.0000000000000000, -0.0000044300000000,  0.0003966700000000 ]  - [  -0.0000799000000000,  0.0000461300000000,  0.0003662700000000 ]  - [   0.0000000000000000,  0.0000695000000000,  0.0003205700000000 ]  - [  -0.0000038400000000,  0.0000022200000000,  0.0003966700000000 ]  - [   0.0000038400000000,  0.0000022200000000,  0.0003966700000000 ]  - [   0.0000601900000000, -0.0000347500000000,  0.0003205700000000 ]  - [  -0.0000601900000000, -0.0000347500000000,  0.0003205700000000 ]  - [   0.0000000000000000, -0.0000922600000000,  0.0003662700000000 ]  - [   0.0000000000000000, -0.0000421800000000,  0.0003461100000000 ]  - [  -0.0000470500000000, -0.0000271600000000,  0.0002955300000000 ]  - [   0.0000470500000000, -0.0000271600000000,  0.0002955300000000 ]  - [   0.0000258600000000,  0.0000149300000000,  0.0003910000000000 ]  - [  -0.0000258600000000,  0.0000149300000000,  0.0003910000000000 ]  - [   0.0000000000000000,  0.0000543200000000,  0.0002955300000000 ]  - [  -0.0000365300000000,  0.0000210900000000,  0.0003461100000000 ]  - [   0.0000000000000000, -0.0000298600000000,  0.0003910000000000 ]  - [   0.0000365300000000,  0.0000210900000000,  0.0003461100000000 ]  - [   0.0002220100000000,  0.0001281800000000,  0.0006465300000000 ]  - [   0.0000000000000000,  0.0002128500000000,  0.0004200900000000 ]  - [  -0.0002220100000000,  0.0001281800000000,  0.0006465300000000 ]  - [   0.0000000000000000, -0.0003609100000000,  0.0005659600000000 ]  - [   0.0001843300000000, -0.0001064200000000,  0.0004200900000000 ]  - [  -0.0001843300000000, -0.0001064200000000,  0.0004200900000000 ]  - [  -0.0003125600000000,  0.0001804600000000,  0.0005659600000000 ]  - [   0.0003125600000000,  0.0001804600000000,  0.0005659600000000 ]  - [   0.0000000000000000, -0.0002563600000000,  0.0006465300000000 ]  - [   0.0000000000000000, -0.0002167200000000,  0.0006274200000000 ]  - [   0.0003090100000000,  0.0001784100000000,  0.0005822100000000 ]  - [  -0.0003090100000000,  0.0001784100000000,  0.0005822100000000 ]  - [  -0.0001816600000000, -0.0001048800000000,  0.0004367000000000 ]  - [   0.0001816600000000, -0.0001048800000000,  0.0004367000000000 ]  - [   0.0000000000000000, -0.0003568200000000,  0.0005822100000000 ]  - [  -0.0001876800000000,  0.0001083600000000,  0.0006274200000000 ]  - [   0.0000000000000000,  0.0002097600000000,  0.0004367000000000 ]  - [   0.0001876800000000,  0.0001083600000000,  0.0006274200000000 ]  - [   0.0000000000000000, -0.0000243800000000, -0.0004321000000000 ]  - [   0.0000046400000000,  0.0000026800000000, -0.0004245300000000 ]  - [  -0.0000046400000000,  0.0000026800000000, -0.0004245300000000 ]  - [  -0.0000219900000000, -0.0000126900000000, -0.0004058200000000 ]  - [   0.0000219900000000, -0.0000126900000000, -0.0004058200000000 ]  - [   0.0000000000000000, -0.0000053500000000, -0.0004245300000000 ]  - [  -0.0000211100000000,  0.0000121900000000, -0.0004321000000000 ]  - [   0.0000000000000000,  0.0000253900000000, -0.0004058200000000 ]  - [   0.0000211100000000,  0.0000121900000000, -0.0004321000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006012300000000 ]  - [  -0.0002975200000000,  0.0001616200000000, -0.0003733200000000 ]  - [   0.0002975200000000,  0.0001616200000000, -0.0003733200000000 ]  - [   0.0000087900000000, -0.0003384700000000, -0.0003733200000000 ]  - [  -0.0000087900000000, -0.0003384700000000, -0.0003733200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005870000000000 ]  - [  -0.0002887200000000,  0.0001768500000000, -0.0003733200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000567400000000 ]  - [   0.0002887200000000,  0.0001768500000000, -0.0003733200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006185900000000 ]  - [   0.0003060500000000,  0.0001620900000000, -0.0003928700000000 ]  - [  -0.0003060500000000,  0.0001620900000000, -0.0003928700000000 ]  - [  -0.0002934000000000,  0.0001840100000000, -0.0003928700000000 ]  - [   0.0002934000000000,  0.0001840100000000, -0.0003928700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000788900000000 ]  - [   0.0000126500000000, -0.0003461000000000, -0.0003928700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006101000000000 ]  - [  -0.0000126500000000, -0.0003461000000000, -0.0003928700000000 ]  - [   0.0000192700000000,  0.0000111200000000, -0.0004222300000000 ]  - [   0.0000000000000000,  0.0000314100000000, -0.0003944700000000 ]  - [  -0.0000192700000000,  0.0000111200000000, -0.0004222300000000 ]  - [   0.0000000000000000, -0.0000127400000000, -0.0004120100000000 ]  - [   0.0000272000000000, -0.0000157000000000, -0.0003944700000000 ]  - [  -0.0000272000000000, -0.0000157000000000, -0.0003944700000000 ]  - [  -0.0000110300000000,  0.0000063700000000, -0.0004120100000000 ]  - [   0.0000110300000000,  0.0000063700000000, -0.0004120100000000 ]  - [   0.0000000000000000, -0.0000222500000000, -0.0004222300000000 ]  - [  -0.0016766900000000, -0.0009680400000000,  0.0019134700000000 ]  - [   0.0000000000000000, -0.0003657200000000, -0.0001573900000000 ]  - [   0.0016766900000000, -0.0009680400000000,  0.0019134700000000 ]  - [   0.0000000000000000, -0.0009957600000000,  0.0007177600000000 ]  - [  -0.0003167300000000,  0.0001828600000000, -0.0001573900000000 ]  - [   0.0003167300000000,  0.0001828600000000, -0.0001573900000000 ]  - [  -0.0008623500000000,  0.0004978800000000,  0.0007177600000000 ]  - [   0.0008623500000000,  0.0004978800000000,  0.0007177600000000 ]  - [   0.0000000000000000,  0.0019360700000000,  0.0019134700000000 ]  - [   0.0000000000000000,  0.0019504300000000,  0.0019248600000000 ]  - [   0.0008643700000000,  0.0004990500000000,  0.0007217100000000 ]  - [  -0.0008643700000000,  0.0004990500000000,  0.0007217100000000 ]  - [   0.0003152500000000,  0.0001820100000000, -0.0001588100000000 ]  - [  -0.0003152500000000,  0.0001820100000000, -0.0001588100000000 ]  - [   0.0000000000000000, -0.0009980900000000,  0.0007217100000000 ]  - [   0.0016891200000000, -0.0009752100000000,  0.0019248600000000 ]  - [   0.0000000000000000, -0.0003640200000000, -0.0001588100000000 ]  - [  -0.0016891200000000, -0.0009752100000000,  0.0019248600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004978700000000 ]  - [  -0.0000025100000000,  0.0000051300000000,  0.0004797500000000 ]  - [   0.0000025100000000,  0.0000051300000000,  0.0004797500000000 ]  - [  -0.0000031900000000, -0.0000047400000000,  0.0004797500000000 ]  - [   0.0000031900000000, -0.0000047400000000,  0.0004797500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004699800000000 ]  - [  -0.0000057000000000, -0.0000003900000000,  0.0004797500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004687300000000 ]  - [   0.0000057000000000, -0.0000003900000000,  0.0004797500000000 ]- atom:   28  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0022705500000000,  0.0005788500000000,  0.0001562200000000 ]  - [   0.0023312400000000, -0.0006502000000000, -0.0002539100000000 ]  - [  -0.0006898900000000,  0.0000029200000000,  0.0000028100000000 ]  - [  -0.0002647500000000,  0.0002693900000000, -0.0003095100000000 ]  - [   0.0012368500000000, -0.0000288300000000, -0.0000009800000000 ]  - [  -0.0002772100000000, -0.0003006900000000,  0.0003143900000000 ]  - [   0.0002226800000000,  0.0000282800000000, -0.0000003700000000 ]  - [  -0.0001154800000000,  0.0003521000000000, -0.0001851900000000 ]  - [  -0.0000975500000000, -0.0003216400000000,  0.0001826300000000 ]  - [   0.0005762800000000,  0.0000136900000000,  0.0000106400000000 ]  - [  -0.0003452800000000, -0.0000302200000000, -0.0002992100000000 ]  - [  -0.0003683700000000,  0.0000566800000000,  0.0003117200000000 ]  - [   0.0002370100000000,  0.0001047300000000,  0.0000229000000000 ]  - [   0.0002501600000000, -0.0001044600000000, -0.0000087100000000 ]  - [  -0.0007599700000000, -0.0000099100000000,  0.0000022600000000 ]  - [   0.0000769900000000,  0.0004751100000000, -0.0002780800000000 ]  - [  -0.0000615800000000, -0.0000034500000000,  0.0000120700000000 ]  - [   0.0000661900000000, -0.0005036000000000,  0.0003018100000000 ]  - [   0.0000221500000000,  0.0000272900000000, -0.0000302700000000 ]  - [   0.0000259800000000,  0.0000014200000000,  0.0000074400000000 ]  - [  -0.0000571400000000,  0.0000045100000000, -0.0000127000000000 ]  - [   0.0000106100000000,  0.0000355100000000, -0.0000276600000000 ]  - [  -0.0000035100000000,  0.0000058200000000, -0.0000026100000000 ]  - [  -0.0000008400000000, -0.0000352500000000,  0.0000120800000000 ]  - [   0.0000460600000000, -0.0000123600000000, -0.0000099600000000 ]  - [  -0.0000168600000000, -0.0000000200000000, -0.0000109300000000 ]  - [  -0.0000360800000000, -0.0000271900000000, -0.0000023900000000 ]  - [  -0.0542929000000000, -0.0003076800000000, -0.0003674500000000 ]  - [   0.0059302800000000, -0.0004657300000000,  0.0003264400000000 ]  - [   0.0058753500000000,  0.0004590700000000, -0.0003411200000000 ]  - [   0.0007358800000000, -0.0034429300000000,  0.0000699900000000 ]  - [   0.0007349400000000,  0.0034522200000000, -0.0000889500000000 ]  - [   0.0004044500000000,  0.0000016000000000, -0.0000078500000000 ]  - [   0.0007290700000000, -0.0025181400000000,  0.0004054300000000 ]  - [   0.0004073000000000,  0.0000002600000000, -0.0000069100000000 ]  - [   0.0007388200000000,  0.0025213000000000, -0.0004209200000000 ]  - [   0.0004520500000000, -0.0005394000000000,  0.0019622900000000 ]  - [   0.0004476400000000,  0.0005399700000000, -0.0019484700000000 ]  - [   0.0003289700000000, -0.0000009400000000,  0.0000059400000000 ]  - [   0.0000883500000000, -0.0001379800000000,  0.0000358100000000 ]  - [  -0.0002456300000000, -0.0000000900000000,  0.0000073300000000 ]  - [   0.0000866500000000,  0.0001413400000000, -0.0000210900000000 ]  - [  -0.0004853800000000,  0.0000021500000000,  0.0000082900000000 ]  - [   0.0002464800000000, -0.0002846400000000, -0.0003877900000000 ]  - [   0.0002471600000000,  0.0002835300000000,  0.0004003400000000 ]  - [  -0.0000840400000000, -0.0000863300000000, -0.0001934100000000 ]  - [  -0.0000875200000000,  0.0000824300000000,  0.0001831000000000 ]  - [   0.0002106900000000, -0.0000021400000000, -0.0000055200000000 ]  - [   0.0000032400000000, -0.0001185600000000, -0.0000942700000000 ]  - [   0.0000042500000000,  0.0000007700000000, -0.0000067800000000 ]  - [   0.0000015300000000,  0.0001223500000000,  0.0000815200000000 ]  - [  -0.0002323500000000, -0.0000002700000000, -0.0000041300000000 ]  - [   0.0001921500000000, -0.0001102600000000,  0.0003140700000000 ]  - [   0.0001925200000000,  0.0001064900000000, -0.0003244800000000 ]  - [   0.0009279000000000,  0.0017876500000000, -0.0027784800000000 ]  - [   0.0009215200000000, -0.0017927900000000,  0.0028112500000000 ]  - [   0.0008588300000000, -0.0000021100000000,  0.0000114700000000 ]  - [   0.0050480900000000, -0.0023991300000000, -0.0019778900000000 ]  - [  -0.0021766400000000, -0.0000064100000000, -0.0000000900000000 ]  - [   0.0050699000000000,  0.0024145000000000,  0.0020022200000000 ]  - [   0.0008900200000000,  0.0000137200000000,  0.0000014000000000 ]  - [  -0.0000047100000000, -0.0005001000000000,  0.0000148200000000 ]  - [  -0.0000060000000000,  0.0004984100000000,  0.0000068400000000 ]  - [  -0.0000847700000000,  0.0000847600000000,  0.0000228500000000 ]  - [  -0.0000803400000000, -0.0000849300000000, -0.0000410000000000 ]  - [   0.0002036500000000, -0.0000000200000000, -0.0000093900000000 ]  - [   0.0001900400000000, -0.0001035900000000,  0.0001406500000000 ]  - [  -0.0002298200000000,  0.0000029500000000, -0.0000091400000000 ]  - [   0.0001912400000000,  0.0001063300000000, -0.0001610500000000 ]  - [   0.0000086700000000, -0.0000040200000000, -0.0000101100000000 ]  - [   0.0000007900000000, -0.0001204800000000,  0.0000293500000000 ]  - [  -0.0000007900000000,  0.0001150000000000, -0.0000495300000000 ]  - [  -0.0000521300000000, -0.0000001900000000,  0.0000048700000000 ]  - [   0.0000472900000000,  0.0000024300000000, -0.0000089000000000 ]  - [   0.0000485400000000,  0.0000005100000000,  0.0000190600000000 ]  - [  -0.0000158100000000, -0.0000383900000000,  0.0000043100000000 ]  - [  -0.0000128300000000,  0.0000347500000000,  0.0000077200000000 ]  - [   0.0000363700000000, -0.0000004700000000,  0.0000060900000000 ]  - [  -0.0000171500000000, -0.0000343600000000, -0.0000105600000000 ]  - [   0.0000674500000000,  0.0000021300000000,  0.0000057700000000 ]  - [  -0.0000141200000000,  0.0000377000000000,  0.0000211700000000 ]  - [   0.0009867700000000, -0.0000013600000000, -0.0000003800000000 ]  - [  -0.0005279500000000,  0.0001825100000000,  0.0004067400000000 ]  - [  -0.0005310100000000, -0.0001849400000000, -0.0004027100000000 ]  - [   0.0001381000000000,  0.0005810300000000, -0.0002860800000000 ]  - [   0.0001371200000000, -0.0005753200000000,  0.0002854400000000 ]  - [  -0.0001845500000000, -0.0000001700000000,  0.0000019300000000 ]  - [   0.0001464600000000,  0.0001968900000000,  0.0001206900000000 ]  - [  -0.0003375500000000, -0.0000003800000000,  0.0000006300000000 ]  - [   0.0001448600000000, -0.0001966800000000, -0.0001173800000000 ]  - [   0.0120686800000000, -0.0044474800000000, -0.0091330400000000 ]  - [   0.0125125700000000,  0.0047874100000000,  0.0096139800000000 ]  - [  -0.0049751200000000, -0.0000002200000000, -0.0000016600000000 ]  - [  -0.0008901900000000,  0.0023486900000000, -0.0003294600000000 ]  - [   0.0013621400000000,  0.0000012000000000, -0.0000055600000000 ]  - [  -0.0008941200000000, -0.0023655400000000,  0.0003282900000000 ]  - [   0.0042944000000000,  0.0000242600000000, -0.0000204100000000 ]  - [  -0.0010310300000000,  0.0013898700000000, -0.0004159500000000 ]  - [  -0.0010420000000000, -0.0013802400000000,  0.0004080000000000 ]  - [   0.0001011200000000, -0.0000544900000000,  0.0001467700000000 ]  - [   0.0000989400000000,  0.0000542600000000, -0.0001458400000000 ]  - [  -0.0002695100000000,  0.0000002700000000,  0.0000003900000000 ]  - [  -0.0001038100000000, -0.0000012500000000,  0.0000857300000000 ]  - [   0.0001941300000000, -0.0000026200000000,  0.0000008900000000 ]  - [  -0.0001049100000000, -0.0000023600000000, -0.0000841000000000 ]  - [  -0.0001035000000000,  0.0000027500000000,  0.0000012600000000 ]  - [   0.0000424100000000,  0.0001822100000000, -0.0000736500000000 ]  - [   0.0000442000000000, -0.0001790000000000,  0.0000759200000000 ]- atom:   28  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002553600000000, -0.0001474300000000,  0.0006204900000000 ]  - [   0.0002553600000000, -0.0001474300000000,  0.0006204900000000 ]  - [   0.0000000000000000,  0.0000138700000000,  0.0004263600000000 ]  - [  -0.0002300200000000,  0.0001328000000000,  0.0005731500000000 ]  - [   0.0000000000000000,  0.0002948700000000,  0.0006204900000000 ]  - [   0.0002300200000000,  0.0001328000000000,  0.0005731500000000 ]  - [   0.0000000000000000, -0.0002656100000000,  0.0005731500000000 ]  - [  -0.0000120100000000, -0.0000069400000000,  0.0004263600000000 ]  - [   0.0000120100000000, -0.0000069400000000,  0.0004263600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005986000000000 ]  - [  -0.0002879700000000, -0.0001422400000000, -0.0003733400000000 ]  - [   0.0002879700000000, -0.0001422400000000, -0.0003733400000000 ]  - [   0.0002671700000000, -0.0001782700000000, -0.0003733400000000 ]  - [  -0.0002671700000000, -0.0001782700000000, -0.0003733400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005933500000000 ]  - [  -0.0000208000000000,  0.0003205100000000, -0.0003733400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000546400000000 ]  - [   0.0000208000000000,  0.0003205100000000, -0.0003733400000000 ]  - [  -0.0000143000000000,  0.0000082600000000, -0.0004370600000000 ]  - [   0.0000143000000000,  0.0000082600000000, -0.0004370600000000 ]  - [   0.0000000000000000, -0.0000692800000000, -0.0004083400000000 ]  - [   0.0000600000000000,  0.0000346400000000, -0.0004083400000000 ]  - [   0.0000000000000000,  0.0000582800000000, -0.0004229000000000 ]  - [  -0.0000600000000000,  0.0000346400000000, -0.0004083400000000 ]  - [   0.0000000000000000, -0.0000165200000000, -0.0004370600000000 ]  - [   0.0000504700000000, -0.0000291400000000, -0.0004229000000000 ]  - [  -0.0000504700000000, -0.0000291400000000, -0.0004229000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0579713900000000 ]  - [  -0.0003403100000000, -0.0002831000000000, -0.0015658200000000 ]  - [   0.0003403100000000, -0.0002831000000000, -0.0015658200000000 ]  - [   0.0004153300000000, -0.0001531700000000, -0.0015658200000000 ]  - [  -0.0004153300000000, -0.0001531700000000, -0.0015658200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006459800000000 ]  - [   0.0000750100000000,  0.0004362700000000, -0.0015658200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006464100000000 ]  - [  -0.0000750100000000,  0.0004362700000000, -0.0015658200000000 ]  - [   0.0019433400000000, -0.0011219900000000,  0.0031658400000000 ]  - [  -0.0019433400000000, -0.0011219900000000,  0.0031658400000000 ]  - [   0.0000000000000000, -0.0000344600000000, -0.0003164000000000 ]  - [   0.0000298400000000,  0.0000172300000000, -0.0003164000000000 ]  - [   0.0000000000000000, -0.0004540900000000, -0.0001354500000000 ]  - [  -0.0000298400000000,  0.0000172300000000, -0.0003164000000000 ]  - [   0.0000000000000000,  0.0022439800000000,  0.0031658400000000 ]  - [  -0.0003932500000000,  0.0002270400000000, -0.0001354500000000 ]  - [   0.0003932500000000,  0.0002270400000000, -0.0001354500000000 ]  - [  -0.0000298200000000,  0.0000172200000000,  0.0004595100000000 ]  - [   0.0000298200000000,  0.0000172200000000,  0.0004595100000000 ]  - [   0.0000000000000000, -0.0000481400000000,  0.0004672600000000 ]  - [   0.0000416900000000,  0.0000240700000000,  0.0004672600000000 ]  - [   0.0000000000000000,  0.0001739900000000,  0.0005325900000000 ]  - [  -0.0000416900000000,  0.0000240700000000,  0.0004672600000000 ]  - [   0.0000000000000000, -0.0000344300000000,  0.0004595100000000 ]  - [   0.0001506800000000, -0.0000870000000000,  0.0005325900000000 ]  - [  -0.0001506800000000, -0.0000870000000000,  0.0005325900000000 ]  - [  -0.0028080900000000, -0.0016212500000000,  0.0021896500000000 ]  - [   0.0028080900000000, -0.0016212500000000,  0.0021896500000000 ]  - [   0.0000000000000000, -0.0000032200000000, -0.0003864700000000 ]  - [  -0.0019890600000000,  0.0011483800000000,  0.0011695500000000 ]  - [   0.0000000000000000,  0.0032425100000000,  0.0021896500000000 ]  - [   0.0019890600000000,  0.0011483800000000,  0.0011695500000000 ]  - [   0.0000000000000000, -0.0022967700000000,  0.0011695500000000 ]  - [   0.0000027900000000,  0.0000016100000000, -0.0003864700000000 ]  - [  -0.0000027900000000,  0.0000016100000000, -0.0003864700000000 ]  - [   0.0001872500000000,  0.0001081100000000,  0.0004566000000000 ]  - [  -0.0001872500000000,  0.0001081100000000,  0.0004566000000000 ]  - [   0.0000000000000000,  0.0001016100000000,  0.0004635500000000 ]  - [   0.0003174300000000, -0.0001832700000000,  0.0005268200000000 ]  - [   0.0000000000000000, -0.0002162100000000,  0.0004566000000000 ]  - [  -0.0003174300000000, -0.0001832700000000,  0.0005268200000000 ]  - [   0.0000000000000000,  0.0003665300000000,  0.0005268200000000 ]  - [  -0.0000880000000000, -0.0000508100000000,  0.0004635500000000 ]  - [   0.0000880000000000, -0.0000508100000000,  0.0004635500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004760400000000 ]  - [  -0.0000162600000000,  0.0000121800000000,  0.0004907300000000 ]  - [   0.0000162600000000,  0.0000121800000000,  0.0004907300000000 ]  - [  -0.0000024200000000, -0.0000201700000000,  0.0004907300000000 ]  - [   0.0000024200000000, -0.0000201700000000,  0.0004907300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005536200000000 ]  - [  -0.0000186800000000,  0.0000079900000000,  0.0004907300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005747000000000 ]  - [   0.0000186800000000,  0.0000079900000000,  0.0004907300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013276300000000 ]  - [   0.0009801500000000, -0.0006165900000000, -0.0005272500000000 ]  - [  -0.0009801500000000, -0.0006165900000000, -0.0005272500000000 ]  - [   0.0000439000000000,  0.0011571300000000, -0.0005272500000000 ]  - [  -0.0000439000000000,  0.0011571300000000, -0.0005272500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001934800000000 ]  - [   0.0010240600000000, -0.0005405400000000, -0.0005272500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001693800000000 ]  - [  -0.0010240600000000, -0.0005405400000000, -0.0005272500000000 ]  - [  -0.0106901800000000,  0.0061719800000000,  0.0138369500000000 ]  - [   0.0106901800000000,  0.0061719800000000,  0.0138369500000000 ]  - [   0.0000000000000000,  0.0007305400000000,  0.0014265000000000 ]  - [  -0.0006326600000000, -0.0003652700000000,  0.0014265000000000 ]  - [   0.0000000000000000, -0.0007803800000000,  0.0015777300000000 ]  - [   0.0006326600000000, -0.0003652700000000,  0.0014265000000000 ]  - [   0.0000000000000000, -0.0123439500000000,  0.0138369500000000 ]  - [  -0.0006758300000000,  0.0003901900000000,  0.0015777300000000 ]  - [   0.0006758300000000,  0.0003901900000000,  0.0015777300000000 ]  - [   0.0000016800000000,  0.0000009700000000, -0.0005891600000000 ]  - [  -0.0000016800000000,  0.0000009700000000, -0.0005891600000000 ]  - [   0.0000000000000000, -0.0000832100000000, -0.0005909300000000 ]  - [   0.0000759000000000, -0.0000438200000000, -0.0005846700000000 ]  - [   0.0000000000000000, -0.0000019400000000, -0.0005891600000000 ]  - [  -0.0000759000000000, -0.0000438200000000, -0.0005846700000000 ]  - [   0.0000000000000000,  0.0000876400000000, -0.0005846700000000 ]  - [   0.0000720600000000,  0.0000416000000000, -0.0005909300000000 ]  - [  -0.0000720600000000,  0.0000416000000000, -0.0005909300000000 ]- atom:   28  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0002235500000000,  0.0001290600000000, -0.0006542600000000 ]  - [  -0.0002235500000000,  0.0001290600000000, -0.0006542600000000 ]  - [   0.0000000000000000, -0.0000132700000000, -0.0004312000000000 ]  - [   0.0002624100000000, -0.0001515000000000, -0.0005751100000000 ]  - [   0.0000000000000000, -0.0002581300000000, -0.0006542600000000 ]  - [  -0.0002624100000000, -0.0001515000000000, -0.0005751100000000 ]  - [   0.0000000000000000,  0.0003030000000000, -0.0005751100000000 ]  - [   0.0000114900000000,  0.0000066300000000, -0.0004312000000000 ]  - [  -0.0000114900000000,  0.0000066300000000, -0.0004312000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006210600000000 ]  - [   0.0003078100000000,  0.0001541300000000,  0.0003917900000000 ]  - [  -0.0003078100000000,  0.0001541300000000,  0.0003917900000000 ]  - [  -0.0002873800000000,  0.0001895000000000,  0.0003917900000000 ]  - [   0.0002873800000000,  0.0001895000000000,  0.0003917900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006034800000000 ]  - [   0.0000204200000000, -0.0003436300000000,  0.0003917900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000807500000000 ]  - [  -0.0000204200000000, -0.0003436300000000,  0.0003917900000000 ]  - [  -0.0000030900000000,  0.0000017800000000,  0.0004167800000000 ]  - [   0.0000030900000000,  0.0000017800000000,  0.0004167800000000 ]  - [   0.0000000000000000,  0.0000660600000000,  0.0003910500000000 ]  - [  -0.0000572100000000, -0.0000330300000000,  0.0003910500000000 ]  - [   0.0000000000000000, -0.0000342000000000,  0.0004135400000000 ]  - [   0.0000572100000000, -0.0000330300000000,  0.0003910500000000 ]  - [   0.0000000000000000, -0.0000035600000000,  0.0004167800000000 ]  - [  -0.0000296200000000,  0.0000171000000000,  0.0004135400000000 ]  - [   0.0000296200000000,  0.0000171000000000,  0.0004135400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0576170500000000 ]  - [   0.0003278100000000,  0.0002857200000000,  0.0015531200000000 ]  - [  -0.0003278100000000,  0.0002857200000000,  0.0015531200000000 ]  - [  -0.0004113500000000,  0.0001410300000000,  0.0015531200000000 ]  - [   0.0004113500000000,  0.0001410300000000,  0.0015531200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006337900000000 ]  - [  -0.0000835400000000, -0.0004267500000000,  0.0015531200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006334700000000 ]  - [   0.0000835400000000, -0.0004267500000000,  0.0015531200000000 ]  - [  -0.0019676700000000,  0.0011360300000000, -0.0031851000000000 ]  - [   0.0019676700000000,  0.0011360300000000, -0.0031851000000000 ]  - [   0.0000000000000000,  0.0000322200000000,  0.0003332600000000 ]  - [  -0.0000279000000000, -0.0000161100000000,  0.0003332600000000 ]  - [   0.0000000000000000,  0.0004569700000000,  0.0001514000000000 ]  - [   0.0000279000000000, -0.0000161100000000,  0.0003332600000000 ]  - [   0.0000000000000000, -0.0022720700000000, -0.0031851000000000 ]  - [   0.0003957400000000, -0.0002284800000000,  0.0001514000000000 ]  - [  -0.0003957400000000, -0.0002284800000000,  0.0001514000000000 ]  - [   0.0000330800000000, -0.0000191000000000, -0.0004716400000000 ]  - [  -0.0000330800000000, -0.0000191000000000, -0.0004716400000000 ]  - [   0.0000000000000000,  0.0000442300000000, -0.0004807500000000 ]  - [  -0.0000383000000000, -0.0000221100000000, -0.0004807500000000 ]  - [   0.0000000000000000, -0.0001726800000000, -0.0005433700000000 ]  - [   0.0000383000000000, -0.0000221100000000, -0.0004807500000000 ]  - [   0.0000000000000000,  0.0000382000000000, -0.0004716400000000 ]  - [  -0.0001495400000000,  0.0000863400000000, -0.0005433700000000 ]  - [   0.0001495400000000,  0.0000863400000000, -0.0005433700000000 ]  - [   0.0027807100000000,  0.0016054400000000, -0.0021536000000000 ]  - [  -0.0027807100000000,  0.0016054400000000, -0.0021536000000000 ]  - [   0.0000000000000000,  0.0000041600000000,  0.0004047500000000 ]  - [   0.0019900000000000, -0.0011489300000000, -0.0011479400000000 ]  - [   0.0000000000000000, -0.0032108900000000, -0.0021536000000000 ]  - [  -0.0019900000000000, -0.0011489300000000, -0.0011479400000000 ]  - [   0.0000000000000000,  0.0022978600000000, -0.0011479400000000 ]  - [  -0.0000036000000000, -0.0000020800000000,  0.0004047500000000 ]  - [   0.0000036000000000, -0.0000020800000000,  0.0004047500000000 ]  - [  -0.0001910900000000, -0.0001103200000000, -0.0004746900000000 ]  - [   0.0001910900000000, -0.0001103200000000, -0.0004746900000000 ]  - [   0.0000000000000000, -0.0001014100000000, -0.0004842200000000 ]  - [  -0.0003234800000000,  0.0001867600000000, -0.0005491800000000 ]  - [   0.0000000000000000,  0.0002206500000000, -0.0004746900000000 ]  - [   0.0003234800000000,  0.0001867600000000, -0.0005491800000000 ]  - [   0.0000000000000000, -0.0003735200000000, -0.0005491800000000 ]  - [   0.0000878300000000,  0.0000507100000000, -0.0004842200000000 ]  - [  -0.0000878300000000,  0.0000507100000000, -0.0004842200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004682600000000 ]  - [   0.0000133200000000, -0.0000091500000000, -0.0004818700000000 ]  - [  -0.0000133200000000, -0.0000091500000000, -0.0004818700000000 ]  - [   0.0000012600000000,  0.0000161100000000, -0.0004818700000000 ]  - [  -0.0000012600000000,  0.0000161100000000, -0.0004818700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005451700000000 ]  - [   0.0000145800000000, -0.0000069600000000, -0.0004818700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005644300000000 ]  - [  -0.0000145800000000, -0.0000069600000000, -0.0004818700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013289100000000 ]  - [  -0.0009833600000000,  0.0006194400000000,  0.0005317800000000 ]  - [   0.0009833600000000,  0.0006194400000000,  0.0005317800000000 ]  - [  -0.0000447700000000, -0.0011613300000000,  0.0005317800000000 ]  - [   0.0000447700000000, -0.0011613300000000,  0.0005317800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001922700000000 ]  - [  -0.0010281300000000,  0.0005419000000000,  0.0005317800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001713800000000 ]  - [   0.0010281300000000,  0.0005419000000000,  0.0005317800000000 ]  - [   0.0103298700000000, -0.0059639500000000, -0.0136847000000000 ]  - [  -0.0103298700000000, -0.0059639500000000, -0.0136847000000000 ]  - [   0.0000000000000000, -0.0007292200000000, -0.0014286200000000 ]  - [   0.0006315300000000,  0.0003646100000000, -0.0014286200000000 ]  - [   0.0000000000000000,  0.0007811400000000, -0.0015762900000000 ]  - [  -0.0006315300000000,  0.0003646100000000, -0.0014286200000000 ]  - [   0.0000000000000000,  0.0119279100000000, -0.0136847000000000 ]  - [   0.0006764900000000, -0.0003905700000000, -0.0015762900000000 ]  - [  -0.0006764900000000, -0.0003905700000000, -0.0015762900000000 ]  - [   0.0000004400000000,  0.0000002600000000,  0.0005897500000000 ]  - [  -0.0000004400000000,  0.0000002600000000,  0.0005897500000000 ]  - [   0.0000000000000000,  0.0000825400000000,  0.0005908700000000 ]  - [  -0.0000735200000000,  0.0000424400000000,  0.0005863500000000 ]  - [   0.0000000000000000, -0.0000005100000000,  0.0005897500000000 ]  - [   0.0000735200000000,  0.0000424400000000,  0.0005863500000000 ]  - [   0.0000000000000000, -0.0000848900000000,  0.0005863500000000 ]  - [  -0.0000714800000000, -0.0000412700000000,  0.0005908700000000 ]  - [   0.0000714800000000, -0.0000412700000000,  0.0005908700000000 ]- atom:   82  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002857900000000,  0.0020185000000000, -0.0016744200000000 ]  - [  -0.0003074300000000, -0.0020471000000000,  0.0016928400000000 ]  - [   0.0006684600000000, -0.0000017500000000,  0.0000074600000000 ]  - [   0.0016148200000000, -0.0007260800000000, -0.0008602300000000 ]  - [  -0.0038177200000000, -0.0000054600000000,  0.0000103800000000 ]  - [   0.0016093000000000,  0.0007227700000000,  0.0008640200000000 ]  - [   0.0003570700000000,  0.0000139700000000, -0.0000010700000000 ]  - [  -0.0001152100000000, -0.0004408700000000,  0.0003219900000000 ]  - [  -0.0000989100000000,  0.0004549500000000, -0.0003140900000000 ]  - [   0.0000101200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000100000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000120400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000090300000000,  0.0000162400000000, -0.0000032400000000 ]  - [   0.0000187600000000, -0.0000008100000000, -0.0000004600000000 ]  - [  -0.0000256300000000, -0.0000016000000000, -0.0000046400000000 ]  - [   0.0000187600000000,  0.0000008100000000,  0.0000004600000000 ]  - [  -0.0000256300000000,  0.0000016000000000,  0.0000046400000000 ]  - [   0.0000090300000000, -0.0000162400000000,  0.0000032400000000 ]  - [  -0.0002857900000000, -0.0020185000000000,  0.0016744200000000 ]  - [  -0.0003074300000000,  0.0020471000000000, -0.0016928400000000 ]  - [   0.0006684600000000,  0.0000017500000000, -0.0000074600000000 ]  - [  -0.0000989100000000, -0.0004549500000000,  0.0003140900000000 ]  - [   0.0003570700000000, -0.0000139700000000,  0.0000010700000000 ]  - [  -0.0001152100000000,  0.0004408700000000, -0.0003219900000000 ]  - [  -0.0038177200000000,  0.0000054600000000, -0.0000103800000000 ]  - [   0.0016093000000000, -0.0007227700000000, -0.0008640200000000 ]  - [   0.0016148200000000,  0.0007260800000000,  0.0008602300000000 ]  - [   0.0009868600000000,  0.0000027600000000, -0.0000096900000000 ]  - [  -0.0005295100000000,  0.0001904000000000, -0.0009888300000000 ]  - [  -0.0005279800000000, -0.0001928000000000,  0.0009743400000000 ]  - [   0.0001463300000000,  0.0005707300000000,  0.0010189400000000 ]  - [   0.0001434500000000, -0.0005757300000000, -0.0010332700000000 ]  - [  -0.0003349900000000, -0.0000020700000000, -0.0000067600000000 ]  - [   0.0001397100000000,  0.0002021400000000,  0.0000395900000000 ]  - [  -0.0001855700000000,  0.0000011900000000, -0.0000075700000000 ]  - [   0.0001375000000000, -0.0001997500000000, -0.0000495900000000 ]  - [   0.0120624200000000, -0.0044685200000000, -0.0102952100000000 ]  - [   0.0125211300000000,  0.0047665300000000,  0.0107289000000000 ]  - [  -0.0049745200000000, -0.0000031500000000,  0.0000057600000000 ]  - [  -0.0008933600000000,  0.0023624600000000, -0.0006254300000000 ]  - [   0.0013622800000000, -0.0000007000000000,  0.0000129100000000 ]  - [  -0.0008897600000000, -0.0023518800000000,  0.0006398200000000 ]  - [   0.0042951100000000,  0.0000620200000000, -0.0000372000000000 ]  - [  -0.0010342600000000,  0.0013871000000000, -0.0006683700000000 ]  - [  -0.0010372100000000, -0.0013820500000000,  0.0006831200000000 ]  - [   0.0001019800000000,  0.0000532300000000, -0.0000072200000000 ]  - [   0.0001022200000000, -0.0000560700000000, -0.0000076000000000 ]  - [  -0.0002722700000000, -0.0000011500000000, -0.0000083400000000 ]  - [   0.0000436900000000,  0.0001839400000000,  0.0000634400000000 ]  - [  -0.0001014600000000,  0.0000021700000000, -0.0000076900000000 ]  - [   0.0000440300000000, -0.0001811000000000, -0.0000810900000000 ]  - [   0.0001968600000000, -0.0000020100000000, -0.0000074800000000 ]  - [  -0.0001038500000000, -0.0000003500000000,  0.0000665300000000 ]  - [  -0.0001046900000000, -0.0000034100000000, -0.0000821300000000 ]  - [   0.0001019800000000, -0.0000532300000000,  0.0000072200000000 ]  - [   0.0001022200000000,  0.0000560700000000,  0.0000076000000000 ]  - [  -0.0002722700000000,  0.0000011500000000,  0.0000083400000000 ]  - [  -0.0001046900000000,  0.0000034100000000,  0.0000821300000000 ]  - [   0.0001968600000000,  0.0000020100000000,  0.0000074800000000 ]  - [  -0.0001038500000000,  0.0000003500000000, -0.0000665300000000 ]  - [  -0.0001014600000000, -0.0000021700000000,  0.0000076900000000 ]  - [   0.0000440300000000,  0.0001811000000000,  0.0000810900000000 ]  - [   0.0000436900000000, -0.0001839400000000, -0.0000634400000000 ]  - [   0.0120624200000000,  0.0044685200000000,  0.0102952100000000 ]  - [   0.0125211300000000, -0.0047665300000000, -0.0107289000000000 ]  - [  -0.0049745200000000,  0.0000031500000000, -0.0000057600000000 ]  - [  -0.0010372100000000,  0.0013820500000000, -0.0006831200000000 ]  - [   0.0042951100000000, -0.0000620200000000,  0.0000372000000000 ]  - [  -0.0010342600000000, -0.0013871000000000,  0.0006683700000000 ]  - [   0.0013622800000000,  0.0000007000000000, -0.0000129100000000 ]  - [  -0.0008897600000000,  0.0023518800000000, -0.0006398200000000 ]  - [  -0.0008933600000000, -0.0023624600000000,  0.0006254300000000 ]  - [   0.0009868600000000, -0.0000027600000000,  0.0000096900000000 ]  - [  -0.0005295100000000, -0.0001904000000000,  0.0009888300000000 ]  - [  -0.0005279800000000,  0.0001928000000000, -0.0009743400000000 ]  - [   0.0001375000000000,  0.0001997500000000,  0.0000495900000000 ]  - [   0.0001397100000000, -0.0002021400000000, -0.0000395900000000 ]  - [  -0.0001855700000000, -0.0000011900000000,  0.0000075700000000 ]  - [   0.0001434500000000,  0.0005757300000000,  0.0010332700000000 ]  - [  -0.0003349900000000,  0.0000020700000000,  0.0000067600000000 ]  - [   0.0001463300000000, -0.0005707300000000, -0.0010189400000000 ]  - [  -0.0821860500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0177058300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0174827000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004190300000000, -0.0099000500000000,  0.0041372100000000 ]  - [   0.0004067400000000,  0.0099383300000000, -0.0041531700000000 ]  - [   0.0016206300000000,  0.0000041700000000,  0.0000032400000000 ]  - [   0.0004067400000000, -0.0099383300000000,  0.0041531700000000 ]  - [   0.0016206300000000, -0.0000041700000000, -0.0000032400000000 ]  - [   0.0004190300000000,  0.0099000500000000, -0.0041372100000000 ]  - [  -0.0004287100000000,  0.0002858500000000, -0.0005827400000000 ]  - [  -0.0004292100000000, -0.0002843200000000,  0.0005838000000000 ]  - [   0.0008848000000000,  0.0000004700000000,  0.0000008700000000 ]  - [   0.0004867400000000, -0.0002301100000000, -0.0002363200000000 ]  - [  -0.0009767900000000, -0.0000017300000000, -0.0000000400000000 ]  - [   0.0004861600000000,  0.0002299000000000,  0.0002366600000000 ]  - [   0.0000647400000000, -0.0000005700000000, -0.0000006800000000 ]  - [   0.0000189000000000, -0.0005754700000000,  0.0003662900000000 ]  - [   0.0000208100000000,  0.0005752200000000, -0.0003666200000000 ]  - [  -0.0004287100000000, -0.0002858500000000,  0.0005827400000000 ]  - [  -0.0004292100000000,  0.0002843200000000, -0.0005838000000000 ]  - [   0.0008848000000000, -0.0000004700000000, -0.0000008700000000 ]  - [   0.0000208100000000, -0.0005752200000000,  0.0003666200000000 ]  - [   0.0000647400000000,  0.0000005700000000,  0.0000006800000000 ]  - [   0.0000189000000000,  0.0005754700000000, -0.0003662900000000 ]  - [  -0.0009767900000000,  0.0000017300000000,  0.0000000400000000 ]  - [   0.0004861600000000, -0.0002299000000000, -0.0002366600000000 ]  - [   0.0004867400000000,  0.0002301100000000,  0.0002363200000000 ]- atom:   82  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0015317100000000, -0.0008843300000000,  0.0019271100000000 ]  - [   0.0015317100000000, -0.0008843300000000,  0.0019271100000000 ]  - [   0.0000000000000000, -0.0001532100000000, -0.0001583400000000 ]  - [  -0.0008441200000000,  0.0004873500000000,  0.0007178400000000 ]  - [   0.0000000000000000,  0.0017686600000000,  0.0019271100000000 ]  - [   0.0008441200000000,  0.0004873500000000,  0.0007178400000000 ]  - [   0.0000000000000000, -0.0009747100000000,  0.0007178400000000 ]  - [   0.0001326900000000,  0.0000766100000000, -0.0001583400000000 ]  - [  -0.0001326900000000,  0.0000766100000000, -0.0001583400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005075300000000 ]  - [   0.0000097600000000,  0.0000440900000000,  0.0004876600000000 ]  - [  -0.0000097600000000,  0.0000440900000000,  0.0004876600000000 ]  - [  -0.0000430700000000, -0.0000135900000000,  0.0004876600000000 ]  - [   0.0000430700000000, -0.0000135900000000,  0.0004876600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004717200000000 ]  - [  -0.0000333000000000, -0.0000305000000000,  0.0004876600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004811000000000 ]  - [   0.0000333000000000, -0.0000305000000000,  0.0004876600000000 ]  - [   0.0015229300000000, -0.0008792600000000,  0.0019016900000000 ]  - [  -0.0015229300000000, -0.0008792600000000,  0.0019016900000000 ]  - [   0.0000000000000000, -0.0001571300000000, -0.0001655100000000 ]  - [   0.0001360800000000,  0.0000785700000000, -0.0001655100000000 ]  - [   0.0000000000000000, -0.0009830400000000,  0.0007180000000000 ]  - [  -0.0001360800000000,  0.0000785700000000, -0.0001655100000000 ]  - [   0.0000000000000000,  0.0017585200000000,  0.0019016900000000 ]  - [  -0.0008513400000000,  0.0004915200000000,  0.0007180000000000 ]  - [   0.0008513400000000,  0.0004915200000000,  0.0007180000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013371300000000 ]  - [  -0.0004057900000000,  0.0000964900000000, -0.0005363200000000 ]  - [   0.0004057900000000,  0.0000964900000000, -0.0005363200000000 ]  - [   0.0001193300000000, -0.0003996700000000, -0.0005363200000000 ]  - [  -0.0001193300000000, -0.0003996700000000, -0.0005363200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001759500000000 ]  - [  -0.0002864500000000,  0.0003031800000000, -0.0005363200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001860200000000 ]  - [   0.0002864500000000,  0.0003031800000000, -0.0005363200000000 ]  - [  -0.0095328900000000,  0.0055038200000000,  0.0138592100000000 ]  - [   0.0095328900000000,  0.0055038200000000,  0.0138592100000000 ]  - [   0.0000000000000000,  0.0003765100000000,  0.0014323900000000 ]  - [  -0.0003260700000000, -0.0001882500000000,  0.0014323900000000 ]  - [   0.0000000000000000, -0.0004778700000000,  0.0015838800000000 ]  - [   0.0003260700000000, -0.0001882500000000,  0.0014323900000000 ]  - [   0.0000000000000000, -0.0110076300000000,  0.0138592100000000 ]  - [  -0.0004138500000000,  0.0002389300000000,  0.0015838800000000 ]  - [   0.0004138500000000,  0.0002389300000000,  0.0015838800000000 ]  - [  -0.0001441100000000,  0.0000832000000000, -0.0005948400000000 ]  - [   0.0001441100000000,  0.0000832000000000, -0.0005948400000000 ]  - [   0.0000000000000000,  0.0000844700000000, -0.0005971900000000 ]  - [  -0.0000731600000000, -0.0000422400000000, -0.0005971900000000 ]  - [   0.0000000000000000,  0.0000981600000000, -0.0005917100000000 ]  - [   0.0000731600000000, -0.0000422400000000, -0.0005971900000000 ]  - [   0.0000000000000000, -0.0001664000000000, -0.0005948400000000 ]  - [   0.0000850100000000, -0.0000490800000000, -0.0005917100000000 ]  - [  -0.0000850100000000, -0.0000490800000000, -0.0005917100000000 ]  - [   0.0001449400000000,  0.0000836800000000, -0.0005795500000000 ]  - [  -0.0001449400000000,  0.0000836800000000, -0.0005795500000000 ]  - [   0.0000000000000000,  0.0000866200000000, -0.0005801700000000 ]  - [   0.0000831300000000, -0.0000480000000000, -0.0005748700000000 ]  - [   0.0000000000000000, -0.0001673600000000, -0.0005795500000000 ]  - [  -0.0000831300000000, -0.0000480000000000, -0.0005748700000000 ]  - [   0.0000000000000000,  0.0000959900000000, -0.0005748700000000 ]  - [  -0.0000750200000000, -0.0000433100000000, -0.0005801700000000 ]  - [   0.0000750200000000, -0.0000433100000000, -0.0005801700000000 ]  - [   0.0092088700000000,  0.0053167500000000,  0.0136588700000000 ]  - [  -0.0092088700000000,  0.0053167500000000,  0.0136588700000000 ]  - [   0.0000000000000000,  0.0003806100000000,  0.0014190200000000 ]  - [  -0.0004116200000000,  0.0002376500000000,  0.0015664600000000 ]  - [   0.0000000000000000, -0.0106334900000000,  0.0136588700000000 ]  - [   0.0004116200000000,  0.0002376500000000,  0.0015664600000000 ]  - [   0.0000000000000000, -0.0004753000000000,  0.0015664600000000 ]  - [  -0.0003296200000000, -0.0001903000000000,  0.0014190200000000 ]  - [   0.0003296200000000, -0.0001903000000000,  0.0014190200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013175200000000 ]  - [   0.0004014000000000,  0.0000970900000000, -0.0005233600000000 ]  - [  -0.0004014000000000,  0.0000970900000000, -0.0005233600000000 ]  - [  -0.0002847800000000,  0.0002990800000000, -0.0005233600000000 ]  - [   0.0002847800000000,  0.0002990800000000, -0.0005233600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002001600000000 ]  - [   0.0001166200000000, -0.0003961700000000, -0.0005233600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001639500000000 ]  - [  -0.0001166200000000, -0.0003961700000000, -0.0005233600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0655077500000000 ]  - [  -0.0000132400000000, -0.0047873500000000, -0.0074769000000000 ]  - [   0.0000132400000000, -0.0047873500000000, -0.0074769000000000 ]  - [   0.0041525800000000,  0.0023822100000000, -0.0074769000000000 ]  - [  -0.0041525800000000,  0.0023822100000000, -0.0074769000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013722500000000 ]  - [   0.0041393400000000,  0.0024051400000000, -0.0074769000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013806200000000 ]  - [  -0.0041393400000000,  0.0024051400000000, -0.0074769000000000 ]  - [  -0.0005862000000000,  0.0003384400000000,  0.0010401600000000 ]  - [   0.0005862000000000,  0.0003384400000000,  0.0010401600000000 ]  - [   0.0000000000000000,  0.0002738300000000,  0.0005835700000000 ]  - [  -0.0002371400000000, -0.0001369100000000,  0.0005835700000000 ]  - [   0.0000000000000000,  0.0004236100000000,  0.0005225800000000 ]  - [   0.0002371400000000, -0.0001369100000000,  0.0005835700000000 ]  - [   0.0000000000000000, -0.0006768900000000,  0.0010401600000000 ]  - [   0.0003668600000000, -0.0002118100000000,  0.0005225800000000 ]  - [  -0.0003668600000000, -0.0002118100000000,  0.0005225800000000 ]  - [   0.0005816000000000,  0.0003357800000000,  0.0010380200000000 ]  - [  -0.0005816000000000,  0.0003357800000000,  0.0010380200000000 ]  - [   0.0000000000000000,  0.0002718900000000,  0.0005845200000000 ]  - [   0.0003677000000000, -0.0002122900000000,  0.0005229000000000 ]  - [   0.0000000000000000, -0.0006715700000000,  0.0010380200000000 ]  - [  -0.0003677000000000, -0.0002122900000000,  0.0005229000000000 ]  - [   0.0000000000000000,  0.0004245800000000,  0.0005229000000000 ]  - [  -0.0002354600000000, -0.0001359400000000,  0.0005845200000000 ]  - [   0.0002354600000000, -0.0001359400000000,  0.0005845200000000 ]