# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a2ad1a72-869d-4088-8497-3bf3f2815265/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 Mg3BN3 / P6_3/mmc (194) / materials id 28955](https://mdr.nims.go.jp/datasets/42d5e81a-fcb4-4591-89fa-b2444cc6ee14)

## 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: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.536535240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.768267610000000,     3.062729350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.040809329999998 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 24.305000  - symbol: Mg # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 24.305000  - symbol: Mg # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.122614940000000 ]    mass: 24.305000  - symbol: Mg # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.622614940000000 ]    mass: 24.305000  - symbol: Mg # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.877385060000000 ]    mass: 24.305000  - symbol: Mg # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.377385060000000 ]    mass: 24.305000  - symbol: N  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.083935750000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.583935750000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.916064250000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.416064250000000 ]    mass: 14.006700  - symbol: B  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 10.811000  - symbol: B  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000  reciprocal_lattice: # without 2pi  - [     0.282762628430644,     0.163253079209357,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.326506160265190,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.062340994112421 ] # c*unit_cell:  lattice:  - [     3.536535240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.768267610000000,     3.062729350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.040809329999998 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 2  - symbol: Mg # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.122614940000000 ]    mass: 24.305000    reduced_to: 3  - symbol: Mg # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.622614940000000 ]    mass: 24.305000    reduced_to: 4  - symbol: Mg # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.877385060000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.377385060000000 ]    mass: 24.305000    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.083935750000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.583935750000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.916064250000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.416064250000000 ]    mass: 14.006700    reduced_to: 12  - symbol: B  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 14supercell:  lattice:  - [    10.609605720000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.304802830000000,     9.188188050000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.040809329999998 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.250000000000000 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 11    coordinates: [  0.333333333333333,  0.000000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 12    coordinates: [  0.666666666666667,  0.000000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 13    coordinates: [  0.000000000000000,  0.333333333333333,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 14    coordinates: [  0.333333333333333,  0.333333333333333,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 15    coordinates: [  0.666666666666667,  0.333333333333333,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 16    coordinates: [  0.000000000000000,  0.666666666666667,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 17    coordinates: [  0.333333333333333,  0.666666666666667,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 18    coordinates: [  0.666666666666667,  0.666666666666667,  0.750000000000000 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 19    coordinates: [  0.222222223333333,  0.111111110000000,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 20    coordinates: [  0.555555556666667,  0.111111110000000,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 21    coordinates: [  0.888888890000000,  0.111111110000000,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 22    coordinates: [  0.222222223333333,  0.444444443333333,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 23    coordinates: [  0.555555556666667,  0.444444443333333,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 24    coordinates: [  0.888888890000000,  0.444444443333333,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 25    coordinates: [  0.222222223333333,  0.777777776666667,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 26    coordinates: [  0.555555556666667,  0.777777776666667,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 27    coordinates: [  0.888888890000000,  0.777777776666667,  0.122614940000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 28    coordinates: [  0.111111110000000,  0.222222223333333,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 29    coordinates: [  0.444444443333333,  0.222222223333333,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 30    coordinates: [  0.777777776666667,  0.222222223333333,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 31    coordinates: [  0.111111110000000,  0.555555556666667,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 32    coordinates: [  0.444444443333333,  0.555555556666667,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 33    coordinates: [  0.777777776666667,  0.555555556666667,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 34    coordinates: [  0.111111110000000,  0.888888890000000,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 35    coordinates: [  0.444444443333333,  0.888888890000000,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 36    coordinates: [  0.777777776666667,  0.888888890000000,  0.622614940000000 ]    mass: 24.305000    reduced_to: 28  - symbol: Mg # 37    coordinates: [  0.111111110000000,  0.222222223333333,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 38    coordinates: [  0.444444443333333,  0.222222223333333,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 39    coordinates: [  0.777777776666667,  0.222222223333333,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 40    coordinates: [  0.111111110000000,  0.555555556666667,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 41    coordinates: [  0.444444443333333,  0.555555556666667,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 42    coordinates: [  0.777777776666667,  0.555555556666667,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 43    coordinates: [  0.111111110000000,  0.888888890000000,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 44    coordinates: [  0.444444443333333,  0.888888890000000,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 45    coordinates: [  0.777777776666667,  0.888888890000000,  0.877385060000000 ]    mass: 24.305000    reduced_to: 37  - symbol: Mg # 46    coordinates: [  0.222222223333333,  0.111111110000000,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 47    coordinates: [  0.555555556666667,  0.111111110000000,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 48    coordinates: [  0.888888890000000,  0.111111110000000,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 49    coordinates: [  0.222222223333333,  0.444444443333333,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 50    coordinates: [  0.555555556666667,  0.444444443333333,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 51    coordinates: [  0.888888890000000,  0.444444443333333,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 52    coordinates: [  0.222222223333333,  0.777777776666667,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 53    coordinates: [  0.555555556666667,  0.777777776666667,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: Mg # 54    coordinates: [  0.888888890000000,  0.777777776666667,  0.377385060000000 ]    mass: 24.305000    reduced_to: 46  - symbol: N  # 55    coordinates: [  0.222222223333333,  0.111111110000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 56    coordinates: [  0.555555556666667,  0.111111110000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 57    coordinates: [  0.888888890000000,  0.111111110000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 58    coordinates: [  0.222222223333333,  0.444444443333333,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 59    coordinates: [  0.555555556666667,  0.444444443333333,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 60    coordinates: [  0.888888890000000,  0.444444443333333,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 61    coordinates: [  0.222222223333333,  0.777777776666667,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 62    coordinates: [  0.555555556666667,  0.777777776666667,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 63    coordinates: [  0.888888890000000,  0.777777776666667,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 64    coordinates: [  0.111111110000000,  0.222222223333333,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 65    coordinates: [  0.444444443333333,  0.222222223333333,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 66    coordinates: [  0.777777776666667,  0.222222223333333,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 67    coordinates: [  0.111111110000000,  0.555555556666667,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 68    coordinates: [  0.444444443333333,  0.555555556666667,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 69    coordinates: [  0.777777776666667,  0.555555556666667,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 70    coordinates: [  0.111111110000000,  0.888888890000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 71    coordinates: [  0.444444443333333,  0.888888890000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 72    coordinates: [  0.777777776666667,  0.888888890000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.083935750000000 ]    mass: 14.006700    reduced_to: 73  - symbol: N  # 82    coordinates: [  0.000000000000000,  0.000000000000000,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 83    coordinates: [  0.333333333333333,  0.000000000000000,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 85    coordinates: [  0.000000000000000,  0.333333333333333,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 86    coordinates: [  0.333333333333333,  0.333333333333333,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 87    coordinates: [  0.666666666666667,  0.333333333333333,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 88    coordinates: [  0.000000000000000,  0.666666666666667,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 89    coordinates: [  0.333333333333333,  0.666666666666667,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 90    coordinates: [  0.666666666666667,  0.666666666666667,  0.583935750000000 ]    mass: 14.006700    reduced_to: 82  - symbol: N  # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 92    coordinates: [  0.333333333333333,  0.000000000000000,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 93    coordinates: [  0.666666666666667,  0.000000000000000,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 94    coordinates: [  0.000000000000000,  0.333333333333333,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 95    coordinates: [  0.333333333333333,  0.333333333333333,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 96    coordinates: [  0.666666666666667,  0.333333333333333,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 97    coordinates: [  0.000000000000000,  0.666666666666667,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 98    coordinates: [  0.333333333333333,  0.666666666666667,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 99    coordinates: [  0.666666666666667,  0.666666666666667,  0.916064250000000 ]    mass: 14.006700    reduced_to: 91  - symbol: N  # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: N  # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.416064250000000 ]    mass: 14.006700    reduced_to: 100  - symbol: B  # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 110    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 111    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 112    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 113    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 114    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 115    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 116    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 117    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 10.811000    reduced_to: 109  - symbol: B  # 118    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 119    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 120    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 121    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 122    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 123    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 124    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 125    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118  - symbol: B  # 126    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 10.811000    reduced_to: 118born_effective_charge:- # 1 (Mg)  - [  1.712265910000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.712265910000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.879336070000000 ]- # 2 (Mg)  - [  1.712265910000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.712265910000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.879336070000000 ]- # 3 (Mg)  - [  1.816034050000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.816034050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.053086420000000 ]- # 4 (Mg)  - [  1.816034050000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.816034050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.053086420000000 ]- # 5 (Mg)  - [  1.816034050000001,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.816034050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.053086420000000 ]- # 6 (Mg)  - [  1.816034050000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.816034050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.053086420000000 ]- # 7 (N)  - [ -2.287174450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.287174450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.499817870000000 ]- # 8 (N)  - [ -2.287174450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.287174450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.499817870000000 ]- # 9 (N)  - [ -1.532964320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.532964320000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.178121740000000 ]- # 10 (N)  - [ -1.532964320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.532964320000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.178121740000000 ]- # 11 (N)  - [ -1.532964320000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.532964320000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.178121740000000 ]- # 12 (N)  - [ -1.532964320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.532964320000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.178121740000000 ]- # 13 (B)  - [  0.008769080000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.008769080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.870552440000000 ]- # 14 (B)  - [  0.008769080000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.008769080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.870552440000000 ]dielectric_constant:  - [  3.971042680000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.971042680000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.905260170000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1393235200000000, -0.0020155300000000,  0.0000000000000000 ]  - [   0.0077738700000000, -0.0011606600000000,  0.0000000000000000 ]  - [   0.0081854000000000,  0.0003093300000000,  0.0000000000000000 ]  - [   0.0003749400000000, -0.0053954900000000,  0.0000000000000000 ]  - [  -0.0005652400000000,  0.0053631100000000,  0.0000000000000000 ]  - [   0.0017449400000000, -0.0000084400000000,  0.0000000000000000 ]  - [   0.0001647700000000, -0.0035333200000000,  0.0000000000000000 ]  - [   0.0017145200000000,  0.0000058400000000,  0.0000000000000000 ]  - [  -0.0003234200000000,  0.0043406800000000,  0.0000000000000000 ]  - [  -0.0002315400000000,  0.0000230300000000,  0.0000000000000000 ]  - [  -0.0001638600000000,  0.0003442400000000,  0.0000000000000000 ]  - [   0.0003199800000000,  0.0005491000000000,  0.0000000000000000 ]  - [  -0.0003952800000000, -0.0004572100000000,  0.0000000000000000 ]  - [   0.0000982200000000, -0.0003900100000000,  0.0000000000000000 ]  - [   0.0002416900000000,  0.0000025000000000,  0.0000000000000000 ]  - [  -0.0004666300000000, -0.0001163400000000,  0.0000000000000000 ]  - [  -0.0001101900000000,  0.0000179400000000,  0.0000000000000000 ]  - [   0.0005154000000000,  0.0001403700000000,  0.0000000000000000 ]  - [   0.0053084400000000,  0.0053928700000000, -0.0125278500000000 ]  - [   0.0019385800000000,  0.0001783100000000,  0.0007510500000000 ]  - [   0.0049805900000000, -0.0051171400000000,  0.0138987400000000 ]  - [  -0.0012955100000000,  0.0000334800000000,  0.0007660600000000 ]  - [   0.0007718600000000,  0.0006768400000000,  0.0002029800000000 ]  - [   0.0004826500000000, -0.0008383800000000,  0.0013051600000000 ]  - [   0.0005467400000000, -0.0010625300000000, -0.0002153600000000 ]  - [   0.0004887800000000,  0.0010303300000000,  0.0017451600000000 ]  - [  -0.0039578300000000, -0.0001469700000000,  0.0007535700000000 ]  - [  -0.0005671500000000,  0.0001800400000000,  0.0007327500000000 ]  - [   0.0003249300000000,  0.0001741200000000,  0.0009017600000000 ]  - [   0.0002661600000000, -0.0001393800000000,  0.0006419100000000 ]  - [   0.0001419400000000, -0.0002386400000000,  0.0006218400000000 ]  - [  -0.0001431600000000,  0.0004006700000000,  0.0008801100000000 ]  - [   0.0000249200000000, -0.0000337700000000,  0.0007729400000000 ]  - [  -0.0001115700000000, -0.0002731600000000,  0.0007133700000000 ]  - [   0.0005539100000000, -0.0001730300000000,  0.0007514200000000 ]  - [  -0.0004210900000000,  0.0000750800000000,  0.0007486500000000 ]  - [  -0.0005671500000000,  0.0001800400000000, -0.0007327500000000 ]  - [   0.0003249300000000,  0.0001741200000000, -0.0009017600000000 ]  - [   0.0002661600000000, -0.0001393800000000, -0.0006419100000000 ]  - [   0.0001419400000000, -0.0002386400000000, -0.0006218400000000 ]  - [  -0.0001431600000000,  0.0004006700000000, -0.0008801100000000 ]  - [   0.0000249200000000, -0.0000337700000000, -0.0007729400000000 ]  - [  -0.0001115700000000, -0.0002731600000000, -0.0007133700000000 ]  - [   0.0005539100000000, -0.0001730300000000, -0.0007514200000000 ]  - [  -0.0004210900000000,  0.0000750800000000, -0.0007486500000000 ]  - [   0.0053084400000000,  0.0053928700000000,  0.0125278500000000 ]  - [   0.0019385800000000,  0.0001783100000000, -0.0007510500000000 ]  - [   0.0049805900000000, -0.0051171400000000, -0.0138987400000000 ]  - [  -0.0012955100000000,  0.0000334800000000, -0.0007660600000000 ]  - [   0.0007718600000000,  0.0006768400000000, -0.0002029800000000 ]  - [   0.0004826500000000, -0.0008383800000000, -0.0013051600000000 ]  - [   0.0005467400000000, -0.0010625300000000,  0.0002153600000000 ]  - [   0.0004887800000000,  0.0010303300000000, -0.0017451600000000 ]  - [  -0.0039578300000000, -0.0001469700000000, -0.0007535700000000 ]  - [   0.0466588500000000,  0.0208265000000000,  0.0000000000000000 ]  - [  -0.0040306100000000, -0.0000441400000000,  0.0000000000000000 ]  - [   0.0444143000000000, -0.0192984700000000,  0.0000000000000000 ]  - [   0.0021412200000000,  0.0000670000000000,  0.0000000000000000 ]  - [  -0.0009725100000000, -0.0017452600000000,  0.0000000000000000 ]  - [  -0.0008884600000000,  0.0018337800000000,  0.0000000000000000 ]  - [  -0.0022361000000000,  0.0025431700000000,  0.0000000000000000 ]  - [  -0.0023067300000000, -0.0025521900000000,  0.0000000000000000 ]  - [   0.0107950200000000,  0.0001536400000000,  0.0000000000000000 ]  - [   0.0003588200000000, -0.0000069600000000,  0.0000000000000000 ]  - [  -0.0001067900000000, -0.0000547700000000,  0.0000000000000000 ]  - [  -0.0001992500000000,  0.0000887300000000,  0.0000000000000000 ]  - [   0.0000051400000000,  0.0001262800000000,  0.0000000000000000 ]  - [   0.0000841500000000, -0.0001927200000000,  0.0000000000000000 ]  - [  -0.0000290100000000, -0.0000632800000000,  0.0000000000000000 ]  - [   0.0001396900000000,  0.0001178400000000,  0.0000000000000000 ]  - [  -0.0002315700000000,  0.0000367900000000,  0.0000000000000000 ]  - [   0.0001347500000000, -0.0001383700000000,  0.0000000000000000 ]  - [   0.0060688000000000,  0.0000003600000000, -0.0007153900000000 ]  - [  -0.0016185800000000,  0.0006376600000000,  0.0014499600000000 ]  - [  -0.0016035500000000, -0.0006356400000000, -0.0028651000000000 ]  - [   0.0003648900000000,  0.0017059500000000, -0.0029406200000000 ]  - [   0.0003667900000000, -0.0017285700000000,  0.0015198200000000 ]  - [  -0.0006674000000000, -0.0000033500000000, -0.0007187100000000 ]  - [   0.0003099900000000,  0.0005345100000000, -0.0007899400000000 ]  - [  -0.0004161600000000, -0.0000007500000000, -0.0007045700000000 ]  - [   0.0003163900000000, -0.0005356200000000, -0.0006422700000000 ]  - [  -0.0005443000000000,  0.0000045600000000, -0.0007022900000000 ]  - [   0.0000549500000000,  0.0000121700000000, -0.0019156100000000 ]  - [   0.0000631900000000, -0.0000140700000000,  0.0004801100000000 ]  - [   0.0001043300000000, -0.0001513200000000,  0.0004623800000000 ]  - [   0.0000905200000000,  0.0001579300000000, -0.0018887200000000 ]  - [  -0.0002180800000000,  0.0000042900000000, -0.0007100900000000 ]  - [  -0.0000649000000000,  0.0001152900000000, -0.0007339800000000 ]  - [   0.0000801300000000,  0.0000043700000000, -0.0007192500000000 ]  - [  -0.0000693100000000, -0.0000925800000000, -0.0006955500000000 ]  - [  -0.0005443000000000,  0.0000045600000000,  0.0007022900000000 ]  - [   0.0000549500000000,  0.0000121700000000,  0.0019156100000000 ]  - [   0.0000631900000000, -0.0000140700000000, -0.0004801100000000 ]  - [   0.0001043300000000, -0.0001513200000000, -0.0004623800000000 ]  - [   0.0000905200000000,  0.0001579300000000,  0.0018887200000000 ]  - [  -0.0002180800000000,  0.0000042900000000,  0.0007100900000000 ]  - [  -0.0000649000000000,  0.0001152900000000,  0.0007339800000000 ]  - [   0.0000801300000000,  0.0000043700000000,  0.0007192500000000 ]  - [  -0.0000693100000000, -0.0000925800000000,  0.0006955500000000 ]  - [   0.0060688000000000,  0.0000003600000000,  0.0007153900000000 ]  - [  -0.0016185800000000,  0.0006376600000000, -0.0014499600000000 ]  - [  -0.0016035500000000, -0.0006356400000000,  0.0028651000000000 ]  - [   0.0003648900000000,  0.0017059500000000,  0.0029406200000000 ]  - [   0.0003667900000000, -0.0017285700000000, -0.0015198200000000 ]  - [  -0.0006674000000000, -0.0000033500000000,  0.0007187100000000 ]  - [   0.0003099900000000,  0.0005345100000000,  0.0007899400000000 ]  - [  -0.0004161600000000, -0.0000007500000000,  0.0007045700000000 ]  - [   0.0003163900000000, -0.0005356200000000,  0.0006422700000000 ]  - [   0.0020597300000000,  0.0000011100000000, -0.0000059300000000 ]  - [  -0.0003751400000000,  0.0001103000000000, -0.0013233500000000 ]  - [  -0.0003765600000000, -0.0001104800000000,  0.0013109700000000 ]  - [   0.0000178000000000,  0.0004526600000000,  0.0011092500000000 ]  - [   0.0000181100000000, -0.0004484500000000, -0.0011108900000000 ]  - [  -0.0000257300000000,  0.0000012600000000,  0.0000009000000000 ]  - [   0.0001172800000000,  0.0000604700000000, -0.0002033300000000 ]  - [  -0.0001428400000000,  0.0000015200000000, -0.0000038000000000 ]  - [   0.0001139900000000, -0.0000606900000000,  0.0002043400000000 ]  - [   0.0020597300000000,  0.0000011100000000,  0.0000059300000000 ]  - [  -0.0003751400000000,  0.0001103000000000,  0.0013233500000000 ]  - [  -0.0003765600000000, -0.0001104800000000, -0.0013109700000000 ]  - [   0.0000178000000000,  0.0004526600000000, -0.0011092500000000 ]  - [   0.0000181100000000, -0.0004484500000000,  0.0011108900000000 ]  - [  -0.0000257300000000,  0.0000012600000000, -0.0000009000000000 ]  - [   0.0001172800000000,  0.0000604700000000,  0.0002033300000000 ]  - [  -0.0001428400000000,  0.0000015200000000,  0.0000038000000000 ]  - [   0.0001139900000000, -0.0000606900000000, -0.0002043400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0561327200000000 ]  - [  -0.0002622200000000, -0.0004261200000000, -0.0005985700000000 ]  - [   0.0002622200000000, -0.0004261200000000, -0.0005985700000000 ]  - [   0.0005001400000000, -0.0000140300000000, -0.0005985700000000 ]  - [  -0.0005001400000000, -0.0000140300000000, -0.0005985700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002809500000000 ]  - [   0.0002379300000000,  0.0004401500000000, -0.0005985700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002817300000000 ]  - [  -0.0002379300000000,  0.0004401500000000, -0.0005985700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031721500000000 ]  - [  -0.0002529600000000,  0.0004340900000000,  0.0006180500000000 ]  - [   0.0002529600000000,  0.0004340900000000,  0.0006180500000000 ]  - [  -0.0002494600000000, -0.0004361100000000,  0.0006180500000000 ]  - [   0.0002494600000000, -0.0004361100000000,  0.0006180500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003593400000000 ]  - [  -0.0005024100000000,  0.0000020200000000,  0.0006180500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003404300000000 ]  - [   0.0005024100000000,  0.0000020200000000,  0.0006180500000000 ]  - [  -0.0148322700000000, -0.0085634200000000,  0.0071822200000000 ]  - [   0.0000000000000000, -0.0002161700000000, -0.0000356900000000 ]  - [   0.0148322700000000, -0.0085634200000000,  0.0071822200000000 ]  - [   0.0000000000000000, -0.0006379400000000,  0.0001213500000000 ]  - [  -0.0001872100000000,  0.0001080800000000, -0.0000356900000000 ]  - [   0.0001872100000000,  0.0001080800000000, -0.0000356900000000 ]  - [  -0.0005524800000000,  0.0003189700000000,  0.0001213500000000 ]  - [   0.0005524800000000,  0.0003189700000000,  0.0001213500000000 ]  - [   0.0000000000000000,  0.0171268300000000,  0.0071822200000000 ]  - [   0.0000000000000000,  0.0021453600000000,  0.0022998300000000 ]  - [   0.0002909700000000,  0.0001679900000000,  0.0013736400000000 ]  - [  -0.0002909700000000,  0.0001679900000000,  0.0013736400000000 ]  - [   0.0003543400000000,  0.0002045800000000,  0.0013355800000000 ]  - [  -0.0003543400000000,  0.0002045800000000,  0.0013355800000000 ]  - [   0.0000000000000000, -0.0003359800000000,  0.0013736400000000 ]  - [   0.0018579400000000, -0.0010726800000000,  0.0022998300000000 ]  - [   0.0000000000000000, -0.0004091600000000,  0.0013355800000000 ]  - [  -0.0018579400000000, -0.0010726800000000,  0.0022998300000000 ]  - [   0.0000000000000000, -0.0017538700000000,  0.0008314300000000 ]  - [  -0.0002302300000000, -0.0001329200000000, -0.0001691300000000 ]  - [   0.0002302300000000, -0.0001329200000000, -0.0001691300000000 ]  - [  -0.0000604900000000, -0.0000349200000000, -0.0001547400000000 ]  - [   0.0000604900000000, -0.0000349200000000, -0.0001547400000000 ]  - [   0.0000000000000000,  0.0002658400000000, -0.0001691300000000 ]  - [  -0.0015189000000000,  0.0008769400000000,  0.0008314300000000 ]  - [   0.0000000000000000,  0.0000698400000000, -0.0001547400000000 ]  - [   0.0015189000000000,  0.0008769400000000,  0.0008314300000000 ]  - [   0.0153422900000000,  0.0088578800000000,  0.0057640500000000 ]  - [   0.0000000000000000,  0.0005559100000000, -0.0015434900000000 ]  - [  -0.0153422900000000,  0.0088578800000000,  0.0057640500000000 ]  - [   0.0000000000000000,  0.0007078600000000, -0.0014302600000000 ]  - [   0.0004814300000000, -0.0002779600000000, -0.0015434900000000 ]  - [  -0.0004814300000000, -0.0002779600000000, -0.0015434900000000 ]  - [   0.0006130200000000, -0.0003539300000000, -0.0014302600000000 ]  - [  -0.0006130200000000, -0.0003539300000000, -0.0014302600000000 ]  - [   0.0000000000000000, -0.0177157500000000,  0.0057640500000000 ]  - [  -0.0001074600000000, -0.0000620400000000,  0.0134213000000000 ]  - [   0.0000000000000000, -0.0000486000000000,  0.0004253300000000 ]  - [   0.0001074600000000, -0.0000620400000000,  0.0134213000000000 ]  - [   0.0000000000000000,  0.0000615500000000,  0.0009697500000000 ]  - [  -0.0000420900000000,  0.0000243000000000,  0.0004253300000000 ]  - [   0.0000420900000000,  0.0000243000000000,  0.0004253300000000 ]  - [   0.0000533000000000, -0.0000307700000000,  0.0009697500000000 ]  - [  -0.0000533000000000, -0.0000307700000000,  0.0009697500000000 ]  - [   0.0000000000000000,  0.0001240800000000,  0.0134213000000000 ]  - [   0.0000000000000000, -0.0000042000000000, -0.0019411900000000 ]  - [   0.0000445300000000,  0.0000257100000000, -0.0007138400000000 ]  - [  -0.0000445300000000,  0.0000257100000000, -0.0007138400000000 ]  - [  -0.0000404900000000, -0.0000233800000000, -0.0006989000000000 ]  - [   0.0000404900000000, -0.0000233800000000, -0.0006989000000000 ]  - [   0.0000000000000000, -0.0000514200000000, -0.0007138400000000 ]  - [  -0.0000036400000000,  0.0000021000000000, -0.0019411900000000 ]  - [   0.0000000000000000,  0.0000467600000000, -0.0006989000000000 ]  - [   0.0000036400000000,  0.0000021000000000, -0.0019411900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0161123700000000 ]  - [   0.0010325800000000,  0.0002334800000000, -0.0002550600000000 ]  - [  -0.0010325800000000,  0.0002334800000000, -0.0002550600000000 ]  - [  -0.0007184900000000,  0.0007775000000000, -0.0002550600000000 ]  - [   0.0007184900000000,  0.0007775000000000, -0.0002550600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004782700000000 ]  - [   0.0003140900000000, -0.0010109800000000, -0.0002550600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004997200000000 ]  - [  -0.0003140900000000, -0.0010109800000000, -0.0002550600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0097294900000000 ]  - [  -0.0004837300000000,  0.0000655000000000, -0.0012696700000000 ]  - [   0.0004837300000000,  0.0000655000000000, -0.0012696700000000 ]  - [   0.0001851400000000, -0.0004516700000000, -0.0012696700000000 ]  - [  -0.0001851400000000, -0.0004516700000000, -0.0012696700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009438700000000 ]  - [  -0.0002985900000000,  0.0003861700000000, -0.0012696700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009646200000000 ]  - [   0.0002985900000000,  0.0003861700000000, -0.0012696700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082293300000000 ]  - [   0.0004664500000000, -0.0000765700000000,  0.0001522500000000 ]  - [  -0.0004664500000000, -0.0000765700000000,  0.0001522500000000 ]  - [  -0.0001669100000000,  0.0004422400000000,  0.0001522500000000 ]  - [   0.0001669100000000,  0.0004422400000000,  0.0001522500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004626100000000 ]  - [   0.0002995400000000, -0.0003656700000000,  0.0001522500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004618400000000 ]  - [  -0.0002995400000000, -0.0003656700000000,  0.0001522500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0147422800000000 ]  - [  -0.0010509200000000, -0.0002248800000000,  0.0012056300000000 ]  - [   0.0010509200000000, -0.0002248800000000,  0.0012056300000000 ]  - [   0.0007202100000000, -0.0007976800000000,  0.0012056300000000 ]  - [  -0.0007202100000000, -0.0007976800000000,  0.0012056300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009836200000000 ]  - [  -0.0003307100000000,  0.0010225600000000,  0.0012056300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009332400000000 ]  - [   0.0003307100000000,  0.0010225600000000,  0.0012056300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070541500000000 ]  - [  -0.0001902900000000,  0.0000837700000000,  0.0005867400000000 ]  - [   0.0001902900000000,  0.0000837700000000,  0.0005867400000000 ]  - [   0.0000226000000000, -0.0002066800000000,  0.0005867400000000 ]  - [  -0.0000226000000000, -0.0002066800000000,  0.0005867400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000717500000000 ]  - [  -0.0001676900000000,  0.0001229100000000,  0.0005867400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000959300000000 ]  - [   0.0001676900000000,  0.0001229100000000,  0.0005867400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0071428100000000 ]  - [   0.0001950600000000, -0.0000850200000000,  0.0005726000000000 ]  - [  -0.0001950600000000, -0.0000850200000000,  0.0005726000000000 ]  - [  -0.0000239100000000,  0.0002114400000000,  0.0005726000000000 ]  - [   0.0000239100000000,  0.0002114400000000,  0.0005726000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000457200000000 ]  - [   0.0001711600000000, -0.0001264200000000,  0.0005726000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000882700000000 ]  - [  -0.0001711600000000, -0.0001264200000000,  0.0005726000000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0051830200000000,  0.0051900000000000, -0.0150145800000000 ]  - [   0.0049195900000000, -0.0057605200000000,  0.0151605300000000 ]  - [   0.0022029200000000, -0.0004470800000000, -0.0000028600000000 ]  - [   0.0010189700000000, -0.0010462000000000, -0.0005796300000000 ]  - [  -0.0044062300000000, -0.0000549800000000, -0.0000374800000000 ]  - [   0.0005432200000000,  0.0010446500000000,  0.0005858400000000 ]  - [  -0.0010064800000000,  0.0004308800000000, -0.0000010700000000 ]  - [   0.0006272700000000, -0.0007454100000000,  0.0003328700000000 ]  - [   0.0004156400000000,  0.0011680500000000, -0.0003359100000000 ]  - [  -0.0003104200000000,  0.0001989900000000,  0.0016899900000000 ]  - [  -0.0005304200000000,  0.0002567800000000, -0.0016862400000000 ]  - [   0.0007764000000000,  0.0004546000000000,  0.0000014700000000 ]  - [   0.0000135600000000, -0.0005873300000000,  0.0002610000000000 ]  - [  -0.0003689100000000, -0.0004188300000000,  0.0000045600000000 ]  - [   0.0002944000000000,  0.0001578000000000, -0.0002612900000000 ]  - [  -0.0004887300000000,  0.0000023800000000, -0.0000005400000000 ]  - [  -0.0000357700000000, -0.0003055200000000, -0.0002059400000000 ]  - [   0.0004618500000000,  0.0003413100000000,  0.0002082300000000 ]  - [  -0.0909737900000000,  0.0012474300000000,  0.0013296500000000 ]  - [   0.0089626200000000,  0.0011112800000000,  0.0017727900000000 ]  - [   0.0087115500000000, -0.0008658600000000, -0.0003225900000000 ]  - [  -0.0001092700000000, -0.0042241900000000,  0.0013551300000000 ]  - [   0.0000026200000000,  0.0042068800000000,  0.0001561200000000 ]  - [   0.0012769900000000, -0.0000800500000000,  0.0007519100000000 ]  - [  -0.0000949800000000, -0.0061849000000000,  0.0023973300000000 ]  - [   0.0013988900000000, -0.0000182100000000,  0.0007670500000000 ]  - [  -0.0001347800000000,  0.0059870800000000, -0.0009019700000000 ]  - [  -0.0000692900000000,  0.0002028500000000,  0.0009837800000000 ]  - [  -0.0000578500000000, -0.0000064700000000,  0.0005218900000000 ]  - [   0.0001424600000000,  0.0000156300000000,  0.0007730200000000 ]  - [   0.0001523900000000, -0.0000134600000000,  0.0007498200000000 ]  - [  -0.0001371100000000,  0.0000754000000000,  0.0007539200000000 ]  - [   0.0000042600000000,  0.0000635100000000,  0.0007774400000000 ]  - [   0.0001161300000000, -0.0000979800000000,  0.0007347300000000 ]  - [   0.0000235800000000, -0.0001885600000000,  0.0004891600000000 ]  - [  -0.0001275500000000, -0.0000926000000000,  0.0009948400000000 ]  - [  -0.0004093200000000, -0.0021952800000000,  0.0006109100000000 ]  - [  -0.0004126700000000,  0.0023920700000000, -0.0021070500000000 ]  - [   0.0010705400000000,  0.0000132700000000, -0.0007712700000000 ]  - [  -0.0001504300000000, -0.0007256900000000, -0.0006997800000000 ]  - [   0.0005496600000000,  0.0000706200000000, -0.0007464800000000 ]  - [  -0.0003047400000000,  0.0007761900000000, -0.0008220700000000 ]  - [  -0.0043855200000000, -0.0000909800000000, -0.0007300900000000 ]  - [   0.0023484000000000, -0.0011337500000000, -0.0018678000000000 ]  - [   0.0021983100000000,  0.0008543500000000,  0.0003964800000000 ]  - [   0.0007938100000000,  0.0001022600000000, -0.0007339500000000 ]  - [  -0.0001378600000000,  0.0001460900000000,  0.0002357400000000 ]  - [  -0.0002909600000000,  0.0001226800000000, -0.0016998600000000 ]  - [  -0.0001018500000000,  0.0000232800000000, -0.0010685600000000 ]  - [   0.0000330200000000, -0.0000693600000000, -0.0004534000000000 ]  - [   0.0000121100000000, -0.0000855600000000, -0.0007530200000000 ]  - [  -0.0000713400000000,  0.0000307400000000, -0.0000996200000000 ]  - [   0.0001322300000000, -0.0000172200000000, -0.0007727300000000 ]  - [  -0.0001172700000000, -0.0002220300000000, -0.0014095700000000 ]  - [   0.0127260600000000, -0.0000019100000000, -0.0001270400000000 ]  - [  -0.0024080900000000, -0.0003603400000000, -0.0028581500000000 ]  - [  -0.0023924800000000,  0.0003392200000000,  0.0028326700000000 ]  - [   0.0000715300000000,  0.0013290200000000,  0.0007731400000000 ]  - [   0.0000412700000000, -0.0012336700000000, -0.0007732000000000 ]  - [  -0.0004239600000000,  0.0000311600000000, -0.0000013400000000 ]  - [   0.0002682700000000,  0.0016568800000000, -0.0020731000000000 ]  - [  -0.0008499600000000, -0.0000140700000000,  0.0000019000000000 ]  - [   0.0002140500000000, -0.0016659600000000,  0.0020711800000000 ]  - [   0.0002203300000000,  0.0004807900000000, -0.0008990800000000 ]  - [   0.0002714100000000, -0.0004738100000000,  0.0008951600000000 ]  - [  -0.0004713000000000,  0.0000157400000000,  0.0000001200000000 ]  - [   0.0000116300000000,  0.0002392900000000, -0.0000136000000000 ]  - [  -0.0000182500000000, -0.0000331600000000, -0.0000027500000000 ]  - [   0.0000510900000000, -0.0003404400000000,  0.0000133500000000 ]  - [   0.0010730900000000, -0.0000132700000000, -0.0000013500000000 ]  - [  -0.0005194000000000,  0.0003021900000000,  0.0008429100000000 ]  - [  -0.0005234700000000, -0.0002784600000000, -0.0008455900000000 ]  - [   0.0223259100000000,  0.0077355800000000,  0.0039392000000000 ]  - [   0.0236002100000000, -0.0085573700000000, -0.0059329600000000 ]  - [  -0.0031884000000000,  0.0000063600000000, -0.0007121800000000 ]  - [  -0.0016861300000000,  0.0019173100000000, -0.0014153100000000 ]  - [   0.0088579000000000, -0.0000754200000000, -0.0006960200000000 ]  - [  -0.0016945000000000, -0.0019490700000000, -0.0000013100000000 ]  - [   0.0016586800000000, -0.0000052900000000, -0.0007125000000000 ]  - [  -0.0007766200000000,  0.0013922100000000, -0.0008004600000000 ]  - [  -0.0007657700000000, -0.0013996200000000, -0.0006225300000000 ]  - [   0.0000096100000000, -0.0001106700000000, -0.0008124900000000 ]  - [   0.0000031100000000,  0.0001105300000000, -0.0006142700000000 ]  - [  -0.0000979000000000, -0.0000030300000000, -0.0007204200000000 ]  - [  -0.0000961900000000,  0.0000150900000000, -0.0006288400000000 ]  - [   0.0001978200000000,  0.0000005800000000, -0.0007148800000000 ]  - [  -0.0001032100000000, -0.0000101000000000, -0.0008034600000000 ]  - [  -0.0000781400000000,  0.0000102000000000, -0.0007121100000000 ]  - [   0.0000309100000000,  0.0000803500000000, -0.0006831800000000 ]  - [   0.0000295400000000, -0.0000670500000000, -0.0007539700000000 ]  - [   0.0007598200000000,  0.0003145100000000, -0.0102931900000000 ]  - [   0.0007425900000000, -0.0003105200000000,  0.0117068300000000 ]  - [  -0.0013935200000000, -0.0000018500000000,  0.0007120200000000 ]  - [  -0.0003526800000000,  0.0005626600000000, -0.0003664200000000 ]  - [   0.0002097500000000,  0.0000012800000000,  0.0006877800000000 ]  - [  -0.0003556800000000, -0.0005571200000000,  0.0018023500000000 ]  - [   0.0006152700000000,  0.0000092400000000,  0.0007179400000000 ]  - [  -0.0003278800000000,  0.0006223700000000,  0.0011542700000000 ]  - [  -0.0003272900000000, -0.0006079800000000,  0.0002745900000000 ]  - [   0.0004514700000000,  0.0002869700000000,  0.0005985800000000 ]  - [   0.0004562400000000, -0.0002905300000000,  0.0008188600000000 ]  - [  -0.0005262500000000,  0.0000038500000000,  0.0007049800000000 ]  - [  -0.0000341100000000,  0.0002152200000000,  0.0010217000000000 ]  - [  -0.0000456100000000, -0.0000081000000000,  0.0007169200000000 ]  - [  -0.0000291000000000, -0.0002336900000000,  0.0003970600000000 ]  - [   0.0003580500000000, -0.0000035400000000,  0.0007117400000000 ]  - [  -0.0001771400000000,  0.0002011100000000,  0.0006477100000000 ]  - [  -0.0001704300000000, -0.0002066200000000,  0.0007729300000000 ]  - [   0.0023946900000000,  0.0013055800000000,  0.0155502000000000 ]  - [   0.0024513100000000, -0.0013597300000000, -0.0155295900000000 ]  - [   0.0003662800000000, -0.0000006800000000,  0.0000037100000000 ]  - [   0.0000097500000000, -0.0001107900000000,  0.0016517000000000 ]  - [   0.0001155900000000, -0.0000118500000000,  0.0000282900000000 ]  - [   0.0000079400000000,  0.0001094200000000, -0.0016754400000000 ]  - [  -0.0001813700000000, -0.0000014300000000, -0.0000043300000000 ]  - [   0.0000961100000000, -0.0001569000000000, -0.0006498800000000 ]  - [   0.0000952100000000,  0.0001550700000000,  0.0006538800000000 ]  - [   0.0001581300000000,  0.0000873500000000, -0.0000183500000000 ]  - [   0.0001620500000000, -0.0000890000000000,  0.0000268800000000 ]  - [  -0.0002041100000000,  0.0000000100000000,  0.0000075200000000 ]  - [  -0.0000245800000000,  0.0000749000000000, -0.0001142200000000 ]  - [   0.0000078100000000,  0.0000018700000000,  0.0000017200000000 ]  - [  -0.0000231600000000, -0.0000748300000000,  0.0001255700000000 ]  - [   0.0001063000000000, -0.0000022600000000,  0.0000003500000000 ]  - [  -0.0000560600000000,  0.0000841300000000,  0.0000213000000000 ]  - [  -0.0000569100000000, -0.0000868400000000, -0.0000144000000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0132635300000000, -0.0076577000000000,  0.0065093500000000 ]  - [   0.0132635300000000, -0.0076577000000000,  0.0065093500000000 ]  - [   0.0000000000000000, -0.0009181000000000, -0.0007966600000000 ]  - [  -0.0007355300000000,  0.0004246600000000, -0.0006611600000000 ]  - [   0.0000000000000000,  0.0153154100000000,  0.0065093500000000 ]  - [   0.0007355300000000,  0.0004246600000000, -0.0006611600000000 ]  - [   0.0000000000000000, -0.0008493200000000, -0.0006611600000000 ]  - [   0.0007951000000000,  0.0004590500000000, -0.0007966600000000 ]  - [  -0.0007951000000000,  0.0004590500000000, -0.0007966600000000 ]  - [   0.0002256700000000,  0.0001302900000000,  0.0015574300000000 ]  - [  -0.0002256700000000,  0.0001302900000000,  0.0015574300000000 ]  - [   0.0000000000000000,  0.0001443200000000,  0.0005848100000000 ]  - [   0.0001226800000000, -0.0000708300000000,  0.0005955800000000 ]  - [   0.0000000000000000, -0.0002605800000000,  0.0015574300000000 ]  - [  -0.0001226800000000, -0.0000708300000000,  0.0005955800000000 ]  - [   0.0000000000000000,  0.0001416600000000,  0.0005955800000000 ]  - [  -0.0001249900000000, -0.0000721600000000,  0.0005848100000000 ]  - [   0.0001249900000000, -0.0000721600000000,  0.0005848100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1232895000000000 ]  - [  -0.0009850900000000, -0.0012044500000000, -0.0028475800000000 ]  - [   0.0009850900000000, -0.0012044500000000, -0.0028475800000000 ]  - [   0.0015356300000000, -0.0002508800000000, -0.0028475800000000 ]  - [  -0.0015356300000000, -0.0002508800000000, -0.0028475800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008673900000000 ]  - [   0.0005505400000000,  0.0014553400000000, -0.0028475800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008469000000000 ]  - [  -0.0005505400000000,  0.0014553400000000, -0.0028475800000000 ]  - [  -0.0003093200000000,  0.0001785900000000,  0.0018611400000000 ]  - [   0.0003093200000000,  0.0001785900000000,  0.0018611400000000 ]  - [   0.0000000000000000, -0.0000487200000000,  0.0015386300000000 ]  - [   0.0000421900000000,  0.0000243600000000,  0.0015386300000000 ]  - [   0.0000000000000000,  0.0004186400000000,  0.0018013300000000 ]  - [  -0.0000421900000000,  0.0000243600000000,  0.0015386300000000 ]  - [   0.0000000000000000, -0.0003571700000000,  0.0018611400000000 ]  - [   0.0003625500000000, -0.0002093200000000,  0.0018013300000000 ]  - [  -0.0003625500000000, -0.0002093200000000,  0.0018013300000000 ]  - [   0.0012759300000000, -0.0007366600000000,  0.0013364500000000 ]  - [  -0.0012759300000000, -0.0007366600000000,  0.0013364500000000 ]  - [   0.0000000000000000, -0.0001031300000000, -0.0002085900000000 ]  - [   0.0000893100000000,  0.0000515600000000, -0.0002085900000000 ]  - [   0.0000000000000000, -0.0011770500000000,  0.0002065300000000 ]  - [  -0.0000893100000000,  0.0000515600000000, -0.0002085900000000 ]  - [   0.0000000000000000,  0.0014733200000000,  0.0013364500000000 ]  - [  -0.0010193500000000,  0.0005885200000000,  0.0002065300000000 ]  - [   0.0010193500000000,  0.0005885200000000,  0.0002065300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0059746800000000 ]  - [   0.0010380000000000,  0.0002954700000000, -0.0001000100000000 ]  - [  -0.0010380000000000,  0.0002954700000000, -0.0001000100000000 ]  - [  -0.0007748900000000,  0.0007512000000000, -0.0001000100000000 ]  - [   0.0007748900000000,  0.0007512000000000, -0.0001000100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007130300000000 ]  - [   0.0002631200000000, -0.0010466700000000, -0.0001000100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007348300000000 ]  - [  -0.0002631200000000, -0.0010466700000000, -0.0001000100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0552074200000000 ]  - [  -0.0025907300000000,  0.0004228100000000,  0.0014412400000000 ]  - [   0.0025907300000000,  0.0004228100000000,  0.0014412400000000 ]  - [   0.0009292000000000, -0.0024550500000000,  0.0014412400000000 ]  - [  -0.0009292000000000, -0.0024550500000000,  0.0014412400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008947500000000 ]  - [  -0.0016615300000000,  0.0020322300000000,  0.0014412400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009838800000000 ]  - [   0.0016615300000000,  0.0020322300000000,  0.0014412400000000 ]  - [  -0.0001705700000000,  0.0000984800000000, -0.0015839000000000 ]  - [   0.0001705700000000,  0.0000984800000000, -0.0015839000000000 ]  - [   0.0000000000000000,  0.0000926300000000, -0.0008105400000000 ]  - [  -0.0000802200000000, -0.0000463200000000, -0.0008105400000000 ]  - [   0.0000000000000000,  0.0001850300000000, -0.0012852200000000 ]  - [   0.0000802200000000, -0.0000463200000000, -0.0008105400000000 ]  - [   0.0000000000000000, -0.0001969500000000, -0.0015839000000000 ]  - [   0.0001602400000000, -0.0000925100000000, -0.0012852200000000 ]  - [  -0.0001602400000000, -0.0000925100000000, -0.0012852200000000 ]  - [   0.0054162900000000,  0.0031270900000000,  0.0105314900000000 ]  - [  -0.0054162900000000,  0.0031270900000000,  0.0105314900000000 ]  - [   0.0000000000000000,  0.0002620300000000,  0.0005886000000000 ]  - [  -0.0007878000000000,  0.0004548400000000,  0.0006427200000000 ]  - [   0.0000000000000000, -0.0062541900000000,  0.0105314900000000 ]  - [   0.0007878000000000,  0.0004548400000000,  0.0006427200000000 ]  - [   0.0000000000000000, -0.0009096700000000,  0.0006427200000000 ]  - [  -0.0002269200000000, -0.0001310100000000,  0.0005886000000000 ]  - [   0.0002269200000000, -0.0001310100000000,  0.0005886000000000 ]  - [  -0.0000998000000000, -0.0000576200000000, -0.0030794200000000 ]  - [   0.0000998000000000, -0.0000576200000000, -0.0030794200000000 ]  - [   0.0000000000000000,  0.0000179300000000, -0.0019444300000000 ]  - [   0.0000358600000000, -0.0000207000000000, -0.0018518600000000 ]  - [   0.0000000000000000,  0.0001152400000000, -0.0030794200000000 ]  - [  -0.0000358600000000, -0.0000207000000000, -0.0018518600000000 ]  - [   0.0000000000000000,  0.0000414000000000, -0.0018518600000000 ]  - [  -0.0000155300000000, -0.0000089700000000, -0.0019444300000000 ]  - [   0.0000155300000000, -0.0000089700000000, -0.0019444300000000 ]  - [  -0.0017329900000000, -0.0010005400000000, -0.0016187100000000 ]  - [   0.0017329900000000, -0.0010005400000000, -0.0016187100000000 ]  - [   0.0000000000000000, -0.0000257600000000,  0.0008321100000000 ]  - [  -0.0004403500000000,  0.0002542400000000,  0.0007987200000000 ]  - [   0.0000000000000000,  0.0020010900000000, -0.0016187100000000 ]  - [   0.0004403500000000,  0.0002542400000000,  0.0007987200000000 ]  - [   0.0000000000000000, -0.0005084800000000,  0.0007987200000000 ]  - [   0.0000223100000000,  0.0000128800000000,  0.0008321100000000 ]  - [  -0.0000223100000000,  0.0000128800000000,  0.0008321100000000 ]  - [   0.0014642300000000,  0.0008453800000000, -0.0022608000000000 ]  - [  -0.0014642300000000,  0.0008453800000000, -0.0022608000000000 ]  - [   0.0000000000000000,  0.0001342800000000, -0.0001746600000000 ]  - [   0.0003266900000000, -0.0001886100000000, -0.0000599200000000 ]  - [   0.0000000000000000, -0.0016907500000000, -0.0022608000000000 ]  - [  -0.0003266900000000, -0.0001886100000000, -0.0000599200000000 ]  - [   0.0000000000000000,  0.0003772200000000, -0.0000599200000000 ]  - [  -0.0001162900000000, -0.0000671400000000, -0.0001746600000000 ]  - [   0.0001162900000000, -0.0000671400000000, -0.0001746600000000 ]  - [   0.0065171000000000,  0.0037626500000000,  0.0073822400000000 ]  - [  -0.0065171000000000,  0.0037626500000000,  0.0073822400000000 ]  - [   0.0000000000000000,  0.0000742500000000, -0.0001674000000000 ]  - [   0.0001939500000000, -0.0001119800000000, -0.0002546200000000 ]  - [   0.0000000000000000, -0.0075253000000000,  0.0073822400000000 ]  - [  -0.0001939500000000, -0.0001119800000000, -0.0002546200000000 ]  - [   0.0000000000000000,  0.0002239600000000, -0.0002546200000000 ]  - [  -0.0000643000000000, -0.0000371200000000, -0.0001674000000000 ]  - [   0.0000643000000000, -0.0000371200000000, -0.0001674000000000 ]  - [   0.0003474000000000,  0.0002005700000000,  0.0020893300000000 ]  - [  -0.0003474000000000,  0.0002005700000000,  0.0020893300000000 ]  - [   0.0000000000000000,  0.0000719200000000,  0.0010161500000000 ]  - [  -0.0000095700000000,  0.0000055300000000,  0.0010283000000000 ]  - [   0.0000000000000000, -0.0004011500000000,  0.0020893300000000 ]  - [   0.0000095700000000,  0.0000055300000000,  0.0010283000000000 ]  - [   0.0000000000000000, -0.0000110500000000,  0.0010283000000000 ]  - [  -0.0000622900000000, -0.0000359600000000,  0.0010161500000000 ]  - [   0.0000622900000000, -0.0000359600000000,  0.0010161500000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0131602700000000,  0.0075980800000000, -0.0064330800000000 ]  - [  -0.0131602700000000,  0.0075980800000000, -0.0064330800000000 ]  - [   0.0000000000000000,  0.0003578400000000,  0.0007865300000000 ]  - [   0.0012240000000000, -0.0007066800000000,  0.0006515500000000 ]  - [   0.0000000000000000, -0.0151961700000000, -0.0064330800000000 ]  - [  -0.0012240000000000, -0.0007066800000000,  0.0006515500000000 ]  - [   0.0000000000000000,  0.0014133500000000,  0.0006515500000000 ]  - [  -0.0003099000000000, -0.0001789200000000,  0.0007865300000000 ]  - [   0.0003099000000000, -0.0001789200000000,  0.0007865300000000 ]  - [   0.0002602900000000,  0.0001502800000000, -0.0015668900000000 ]  - [  -0.0002602900000000,  0.0001502800000000, -0.0015668900000000 ]  - [   0.0000000000000000,  0.0004382600000000, -0.0005902700000000 ]  - [  -0.0001390900000000,  0.0000803000000000, -0.0006012600000000 ]  - [   0.0000000000000000, -0.0003005600000000, -0.0015668900000000 ]  - [   0.0001390900000000,  0.0000803000000000, -0.0006012600000000 ]  - [   0.0000000000000000, -0.0001606000000000, -0.0006012600000000 ]  - [  -0.0003795400000000, -0.0002191300000000, -0.0005902700000000 ]  - [   0.0003795400000000, -0.0002191300000000, -0.0005902700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1214991800000000 ]  - [   0.0010925200000000,  0.0013592500000000,  0.0043048900000000 ]  - [  -0.0010925200000000,  0.0013592500000000,  0.0043048900000000 ]  - [  -0.0017234000000000,  0.0002665300000000,  0.0043048900000000 ]  - [   0.0017234000000000,  0.0002665300000000,  0.0043048900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023328700000000 ]  - [  -0.0006308800000000, -0.0016257800000000,  0.0043048900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023541900000000 ]  - [   0.0006308800000000, -0.0016257800000000,  0.0043048900000000 ]  - [   0.0001916600000000, -0.0001106600000000, -0.0004004000000000 ]  - [  -0.0001916600000000, -0.0001106600000000, -0.0004004000000000 ]  - [   0.0000000000000000, -0.0000432600000000, -0.0000377800000000 ]  - [   0.0000374600000000,  0.0000216300000000, -0.0000377800000000 ]  - [   0.0000000000000000, -0.0001886800000000, -0.0003440900000000 ]  - [  -0.0000374600000000,  0.0000216300000000, -0.0000377800000000 ]  - [   0.0000000000000000,  0.0002213100000000, -0.0004004000000000 ]  - [  -0.0001634000000000,  0.0000943400000000, -0.0003440900000000 ]  - [   0.0001634000000000,  0.0000943400000000, -0.0003440900000000 ]  - [  -0.0014018200000000,  0.0008093400000000, -0.0028206000000000 ]  - [   0.0014018200000000,  0.0008093400000000, -0.0028206000000000 ]  - [   0.0000000000000000,  0.0000110400000000, -0.0013044400000000 ]  - [  -0.0000095600000000, -0.0000055200000000, -0.0013044400000000 ]  - [   0.0000000000000000,  0.0014142600000000, -0.0016758400000000 ]  - [   0.0000095600000000, -0.0000055200000000, -0.0013044400000000 ]  - [   0.0000000000000000, -0.0016186900000000, -0.0028206000000000 ]  - [   0.0012247900000000, -0.0007071300000000, -0.0016758400000000 ]  - [  -0.0012247900000000, -0.0007071300000000, -0.0016758400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0073637700000000 ]  - [  -0.0009129500000000, -0.0001401000000000, -0.0013789800000000 ]  - [   0.0009129500000000, -0.0001401000000000, -0.0013789800000000 ]  - [   0.0005778100000000, -0.0007205900000000, -0.0013789800000000 ]  - [  -0.0005778100000000, -0.0007205900000000, -0.0013789800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007693600000000 ]  - [  -0.0003351400000000,  0.0008606900000000, -0.0013789800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007914800000000 ]  - [   0.0003351400000000,  0.0008606900000000, -0.0013789800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0515499500000000 ]  - [   0.0026095200000000, -0.0004698800000000, -0.0014456400000000 ]  - [  -0.0026095200000000, -0.0004698800000000, -0.0014456400000000 ]  - [  -0.0008978400000000,  0.0024948500000000, -0.0014456400000000 ]  - [   0.0008978400000000,  0.0024948500000000, -0.0014456400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008985600000000 ]  - [   0.0017116900000000, -0.0020249800000000, -0.0014456400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009871700000000 ]  - [  -0.0017116900000000, -0.0020249800000000, -0.0014456400000000 ]  - [   0.0001379300000000, -0.0000796300000000,  0.0015768400000000 ]  - [  -0.0001379300000000, -0.0000796300000000,  0.0015768400000000 ]  - [   0.0000000000000000, -0.0000267800000000,  0.0008023900000000 ]  - [   0.0000231900000000,  0.0000133900000000,  0.0008023900000000 ]  - [   0.0000000000000000, -0.0002145800000000,  0.0012795500000000 ]  - [  -0.0000231900000000,  0.0000133900000000,  0.0008023900000000 ]  - [   0.0000000000000000,  0.0001592700000000,  0.0015768400000000 ]  - [  -0.0001858300000000,  0.0001072900000000,  0.0012795500000000 ]  - [   0.0001858300000000,  0.0001072900000000,  0.0012795500000000 ]  - [  -0.0054975100000000, -0.0031739900000000, -0.0119755700000000 ]  - [   0.0054975100000000, -0.0031739900000000, -0.0119755700000000 ]  - [   0.0000000000000000, -0.0002527900000000, -0.0020653900000000 ]  - [   0.0007836600000000, -0.0004524500000000, -0.0021269400000000 ]  - [   0.0000000000000000,  0.0063479700000000, -0.0119755700000000 ]  - [  -0.0007836600000000, -0.0004524500000000, -0.0021269400000000 ]  - [   0.0000000000000000,  0.0009048900000000, -0.0021269400000000 ]  - [   0.0002189200000000,  0.0001264000000000, -0.0020653900000000 ]  - [  -0.0002189200000000,  0.0001264000000000, -0.0020653900000000 ]  - [   0.0001034600000000,  0.0000597300000000,  0.0016016500000000 ]  - [  -0.0001034600000000,  0.0000597300000000,  0.0016016500000000 ]  - [   0.0000000000000000, -0.0000259100000000,  0.0004575300000000 ]  - [  -0.0000276400000000,  0.0000159600000000,  0.0003703400000000 ]  - [   0.0000000000000000, -0.0001194600000000,  0.0016016500000000 ]  - [   0.0000276400000000,  0.0000159600000000,  0.0003703400000000 ]  - [   0.0000000000000000, -0.0000319100000000,  0.0003703400000000 ]  - [   0.0000224400000000,  0.0000129600000000,  0.0004575300000000 ]  - [  -0.0000224400000000,  0.0000129600000000,  0.0004575300000000 ]  - [   0.0017637400000000,  0.0010183000000000,  0.0030376900000000 ]  - [  -0.0017637400000000,  0.0010183000000000,  0.0030376900000000 ]  - [   0.0000000000000000,  0.0000179800000000,  0.0006367900000000 ]  - [   0.0004502600000000, -0.0002599600000000,  0.0006634000000000 ]  - [   0.0000000000000000, -0.0020365900000000,  0.0030376900000000 ]  - [  -0.0004502600000000, -0.0002599600000000,  0.0006634000000000 ]  - [   0.0000000000000000,  0.0005199200000000,  0.0006634000000000 ]  - [  -0.0000155700000000, -0.0000089900000000,  0.0006367900000000 ]  - [   0.0000155700000000, -0.0000089900000000,  0.0006367900000000 ]  - [  -0.0014664600000000, -0.0008466600000000,  0.0037312900000000 ]  - [   0.0014664600000000, -0.0008466600000000,  0.0037312900000000 ]  - [   0.0000000000000000, -0.0001257400000000,  0.0016370800000000 ]  - [  -0.0003258400000000,  0.0001881200000000,  0.0015274400000000 ]  - [   0.0000000000000000,  0.0016933300000000,  0.0037312900000000 ]  - [   0.0003258400000000,  0.0001881200000000,  0.0015274400000000 ]  - [   0.0000000000000000, -0.0003762400000000,  0.0015274400000000 ]  - [   0.0001088900000000,  0.0000628700000000,  0.0016370800000000 ]  - [  -0.0001088900000000,  0.0000628700000000,  0.0016370800000000 ]  - [  -0.0066206400000000, -0.0038224300000000, -0.0073256000000000 ]  - [   0.0066206400000000, -0.0038224300000000, -0.0073256000000000 ]  - [   0.0000000000000000, -0.0000741300000000,  0.0001665400000000 ]  - [  -0.0001957500000000,  0.0001130200000000,  0.0002565700000000 ]  - [   0.0000000000000000,  0.0076448600000000, -0.0073256000000000 ]  - [   0.0001957500000000,  0.0001130200000000,  0.0002565700000000 ]  - [   0.0000000000000000, -0.0002260300000000,  0.0002565700000000 ]  - [   0.0000642000000000,  0.0000370700000000,  0.0001665400000000 ]  - [  -0.0000642000000000,  0.0000370700000000,  0.0001665400000000 ]  - [  -0.0003525900000000, -0.0002035700000000, -0.0020978900000000 ]  - [   0.0003525900000000, -0.0002035700000000, -0.0020978900000000 ]  - [   0.0000000000000000, -0.0000717500000000, -0.0010193800000000 ]  - [   0.0000079600000000, -0.0000046000000000, -0.0010336200000000 ]  - [   0.0000000000000000,  0.0004071400000000, -0.0020978900000000 ]  - [  -0.0000079600000000, -0.0000046000000000, -0.0010336200000000 ]  - [   0.0000000000000000,  0.0000091900000000, -0.0010336200000000 ]  - [   0.0000621300000000,  0.0000358700000000, -0.0010193800000000 ]  - [  -0.0000621300000000,  0.0000358700000000, -0.0010193800000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0444522500000000,  0.0192464000000000,  0.0000000000000000 ]  - [   0.0464906400000000, -0.0213369600000000,  0.0000000000000000 ]  - [  -0.0037562300000000, -0.0004347100000000,  0.0000000000000000 ]  - [  -0.0017480400000000,  0.0025342300000000,  0.0000000000000000 ]  - [   0.0103431900000000, -0.0001334500000000,  0.0000000000000000 ]  - [  -0.0022303800000000, -0.0025718000000000,  0.0000000000000000 ]  - [   0.0024414800000000,  0.0004263200000000,  0.0000000000000000 ]  - [  -0.0009160900000000,  0.0017985700000000,  0.0000000000000000 ]  - [  -0.0011329600000000, -0.0013669300000000,  0.0000000000000000 ]  - [   0.0000825000000000, -0.0001092100000000,  0.0000000000000000 ]  - [  -0.0001367200000000,  0.0005633200000000,  0.0000000000000000 ]  - [  -0.0000237200000000,  0.0004553500000000,  0.0000000000000000 ]  - [  -0.0004537800000000, -0.0003554700000000,  0.0000000000000000 ]  - [   0.0005568100000000, -0.0004189100000000,  0.0000000000000000 ]  - [  -0.0001704200000000, -0.0000712500000000,  0.0000000000000000 ]  - [  -0.0005557600000000,  0.0000020700000000,  0.0000000000000000 ]  - [  -0.0000032000000000,  0.0001774600000000,  0.0000000000000000 ]  - [   0.0004977300000000, -0.0001389900000000,  0.0000000000000000 ]  - [   0.0128899600000000,  0.0000976600000000,  0.0008249200000000 ]  - [  -0.0023893800000000,  0.0000120400000000,  0.0033521500000000 ]  - [  -0.0025418900000000,  0.0002596300000000, -0.0018672600000000 ]  - [   0.0002296300000000,  0.0012180900000000, -0.0009222800000000 ]  - [   0.0003744200000000, -0.0012627000000000,  0.0024315800000000 ]  - [  -0.0009381100000000, -0.0000854600000000,  0.0007456800000000 ]  - [   0.0001222200000000,  0.0017418900000000,  0.0016801600000000 ]  - [  -0.0004764000000000, -0.0000126000000000,  0.0007666400000000 ]  - [   0.0000776300000000, -0.0019342400000000, -0.0001896800000000 ]  - [   0.0002191700000000,  0.0006700200000000,  0.0008795400000000 ]  - [   0.0002374000000000, -0.0004750700000000,  0.0006102900000000 ]  - [  -0.0004706200000000,  0.0000154500000000,  0.0007639900000000 ]  - [   0.0001851900000000,  0.0003585100000000,  0.0007947800000000 ]  - [  -0.0002114200000000,  0.0000790600000000,  0.0007456700000000 ]  - [   0.0000358300000000, -0.0003097300000000,  0.0007153800000000 ]  - [   0.0012184300000000, -0.0000957900000000,  0.0007273600000000 ]  - [  -0.0005346600000000,  0.0000935200000000,  0.0005709200000000 ]  - [  -0.0006880200000000, -0.0003704600000000,  0.0008984300000000 ]  - [   0.0002191700000000,  0.0006700200000000, -0.0008795400000000 ]  - [   0.0002374000000000, -0.0004750700000000, -0.0006102900000000 ]  - [  -0.0004706200000000,  0.0000154500000000, -0.0007639900000000 ]  - [   0.0001851900000000,  0.0003585100000000, -0.0007947800000000 ]  - [  -0.0002114200000000,  0.0000790600000000, -0.0007456700000000 ]  - [   0.0000358300000000, -0.0003097300000000, -0.0007153800000000 ]  - [   0.0012184300000000, -0.0000957900000000, -0.0007273600000000 ]  - [  -0.0005346600000000,  0.0000935200000000, -0.0005709200000000 ]  - [  -0.0006880200000000, -0.0003704600000000, -0.0008984300000000 ]  - [   0.0128899600000000,  0.0000976600000000, -0.0008249200000000 ]  - [  -0.0023893800000000,  0.0000120400000000, -0.0033521500000000 ]  - [  -0.0025418900000000,  0.0002596300000000,  0.0018672600000000 ]  - [   0.0002296300000000,  0.0012180900000000,  0.0009222800000000 ]  - [   0.0003744200000000, -0.0012627000000000, -0.0024315800000000 ]  - [  -0.0009381100000000, -0.0000854600000000, -0.0007456800000000 ]  - [   0.0001222200000000,  0.0017418900000000, -0.0016801600000000 ]  - [  -0.0004764000000000, -0.0000126000000000, -0.0007666400000000 ]  - [   0.0000776300000000, -0.0019342400000000,  0.0001896800000000 ]  - [  -0.1409752600000000,  0.0017767200000000,  0.0000000000000000 ]  - [   0.0106103000000000, -0.0005016200000000,  0.0000000000000000 ]  - [   0.0105390100000000,  0.0004724900000000,  0.0000000000000000 ]  - [   0.0008183600000000, -0.0060293100000000,  0.0000000000000000 ]  - [   0.0007644500000000,  0.0061423900000000,  0.0000000000000000 ]  - [   0.0010940600000000,  0.0000401000000000,  0.0000000000000000 ]  - [   0.0008516300000000, -0.0051930300000000,  0.0000000000000000 ]  - [   0.0010083800000000, -0.0000212500000000,  0.0000000000000000 ]  - [   0.0008177000000000,  0.0051795100000000,  0.0000000000000000 ]  - [  -0.0000793200000000, -0.0002349100000000,  0.0000000000000000 ]  - [  -0.0000345400000000,  0.0002448800000000,  0.0000000000000000 ]  - [   0.0002628200000000,  0.0000164500000000,  0.0000000000000000 ]  - [  -0.0000097400000000, -0.0001959400000000,  0.0000000000000000 ]  - [   0.0000403600000000, -0.0000346100000000,  0.0000000000000000 ]  - [   0.0000283200000000,  0.0000975100000000,  0.0000000000000000 ]  - [  -0.0004721700000000, -0.0000110000000000,  0.0000000000000000 ]  - [   0.0002671700000000, -0.0001183800000000,  0.0000000000000000 ]  - [   0.0002644500000000,  0.0001423100000000,  0.0000000000000000 ]  - [   0.0009653000000000,  0.0018399600000000,  0.0051477600000000 ]  - [   0.0009582700000000, -0.0018536600000000, -0.0066192800000000 ]  - [   0.0017050300000000,  0.0000001800000000, -0.0007340700000000 ]  - [   0.0005026300000000, -0.0006870500000000,  0.0002609500000000 ]  - [  -0.0022366500000000, -0.0000181300000000, -0.0007139800000000 ]  - [   0.0005026100000000,  0.0006769000000000, -0.0017259000000000 ]  - [  -0.0006781300000000, -0.0000014200000000, -0.0007264000000000 ]  - [   0.0003602000000000, -0.0007777700000000, -0.0005780200000000 ]  - [   0.0003673500000000,  0.0007706500000000, -0.0008730900000000 ]  - [  -0.0003679600000000, -0.0001771800000000, -0.0032197200000000 ]  - [  -0.0003746500000000,  0.0001805900000000,  0.0017690200000000 ]  - [   0.0002374300000000, -0.0000021400000000, -0.0007270500000000 ]  - [   0.0001058300000000, -0.0000821300000000, -0.0013478600000000 ]  - [  -0.0000613700000000,  0.0000028300000000, -0.0007376100000000 ]  - [   0.0000968300000000,  0.0000881300000000, -0.0001039800000000 ]  - [  -0.0000460400000000,  0.0000112000000000, -0.0007286100000000 ]  - [   0.0000164700000000, -0.0001216600000000, -0.0007247000000000 ]  - [   0.0000138600000000,  0.0001351800000000, -0.0007373600000000 ]  - [  -0.0003679600000000, -0.0001771800000000,  0.0032197200000000 ]  - [  -0.0003746500000000,  0.0001805900000000, -0.0017690200000000 ]  - [   0.0002374300000000, -0.0000021400000000,  0.0007270500000000 ]  - [   0.0001058300000000, -0.0000821300000000,  0.0013478600000000 ]  - [  -0.0000613700000000,  0.0000028300000000,  0.0007376100000000 ]  - [   0.0000968300000000,  0.0000881300000000,  0.0001039800000000 ]  - [  -0.0000460400000000,  0.0000112000000000,  0.0007286100000000 ]  - [   0.0000164700000000, -0.0001216600000000,  0.0007247000000000 ]  - [   0.0000138600000000,  0.0001351800000000,  0.0007373600000000 ]  - [   0.0009653000000000,  0.0018399600000000, -0.0051477600000000 ]  - [   0.0009582700000000, -0.0018536600000000,  0.0066192800000000 ]  - [   0.0017050300000000,  0.0000001800000000,  0.0007340700000000 ]  - [   0.0005026300000000, -0.0006870500000000, -0.0002609500000000 ]  - [  -0.0022366500000000, -0.0000181300000000,  0.0007139800000000 ]  - [   0.0005026100000000,  0.0006769000000000,  0.0017259000000000 ]  - [  -0.0006781300000000, -0.0000014200000000,  0.0007264000000000 ]  - [   0.0003602000000000, -0.0007777700000000,  0.0005780200000000 ]  - [   0.0003673500000000,  0.0007706500000000,  0.0008730900000000 ]  - [   0.0005649800000000,  0.0006654500000000, -0.0025193400000000 ]  - [   0.0005644400000000, -0.0006683800000000,  0.0025130700000000 ]  - [   0.0001779600000000, -0.0000004900000000,  0.0000016800000000 ]  - [   0.0000615500000000, -0.0000841600000000, -0.0007150300000000 ]  - [  -0.0005902500000000, -0.0000014300000000, -0.0000078800000000 ]  - [   0.0000626500000000,  0.0000870000000000,  0.0007204600000000 ]  - [  -0.0000859600000000, -0.0000010400000000, -0.0000014500000000 ]  - [   0.0000359000000000, -0.0000822000000000,  0.0000875800000000 ]  - [   0.0000357400000000,  0.0000817500000000, -0.0000912400000000 ]  - [   0.0005649800000000,  0.0006654500000000,  0.0025193400000000 ]  - [   0.0005644400000000, -0.0006683800000000, -0.0025130700000000 ]  - [   0.0001779600000000, -0.0000004900000000, -0.0000016800000000 ]  - [   0.0000615500000000, -0.0000841600000000,  0.0007150300000000 ]  - [  -0.0005902500000000, -0.0000014300000000,  0.0000078800000000 ]  - [   0.0000626500000000,  0.0000870000000000, -0.0007204600000000 ]  - [  -0.0000859600000000, -0.0000010400000000,  0.0000014500000000 ]  - [   0.0000359000000000, -0.0000822000000000, -0.0000875800000000 ]  - [   0.0000357400000000,  0.0000817500000000,  0.0000912400000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001355000000000,  0.0000782300000000,  0.0134224100000000 ]  - [  -0.0001355000000000,  0.0000782300000000,  0.0134224100000000 ]  - [   0.0000000000000000, -0.0002785500000000,  0.0004257300000000 ]  - [   0.0002380600000000, -0.0001374400000000,  0.0009695600000000 ]  - [   0.0000000000000000, -0.0001564600000000,  0.0134224100000000 ]  - [  -0.0002380600000000, -0.0001374400000000,  0.0009695600000000 ]  - [   0.0000000000000000,  0.0002748800000000,  0.0009695600000000 ]  - [   0.0002412300000000,  0.0001392800000000,  0.0004257300000000 ]  - [  -0.0002412300000000,  0.0001392800000000,  0.0004257300000000 ]  - [   0.0002436100000000,  0.0001406500000000, -0.0019401500000000 ]  - [  -0.0002436100000000,  0.0001406500000000, -0.0019401500000000 ]  - [   0.0000000000000000,  0.0002931000000000, -0.0006981900000000 ]  - [  -0.0000089700000000,  0.0000051800000000, -0.0007142700000000 ]  - [   0.0000000000000000, -0.0002813000000000, -0.0019401500000000 ]  - [   0.0000089700000000,  0.0000051800000000, -0.0007142700000000 ]  - [   0.0000000000000000, -0.0000103600000000, -0.0007142700000000 ]  - [  -0.0002538300000000, -0.0001465500000000, -0.0006981900000000 ]  - [   0.0002538300000000, -0.0001465500000000, -0.0006981900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0522901400000000 ]  - [   0.0029026200000000,  0.0008266400000000,  0.0021839300000000 ]  - [  -0.0029026200000000,  0.0008266400000000,  0.0021839300000000 ]  - [  -0.0021672000000000,  0.0021004300000000,  0.0021839300000000 ]  - [   0.0021672000000000,  0.0021004300000000,  0.0021839300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017382900000000 ]  - [   0.0007354200000000, -0.0029270600000000,  0.0021839300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016626700000000 ]  - [  -0.0007354200000000, -0.0029270600000000,  0.0021839300000000 ]  - [   0.0008394900000000, -0.0004846800000000, -0.0008334100000000 ]  - [  -0.0008394900000000, -0.0004846800000000, -0.0008334100000000 ]  - [   0.0000000000000000, -0.0000617500000000, -0.0000390100000000 ]  - [   0.0000534800000000,  0.0000308800000000, -0.0000390100000000 ]  - [   0.0000000000000000, -0.0008611800000000, -0.0005376400000000 ]  - [  -0.0000534800000000,  0.0000308800000000, -0.0000390100000000 ]  - [   0.0000000000000000,  0.0009693600000000, -0.0008334100000000 ]  - [  -0.0007458000000000,  0.0004305900000000, -0.0005376400000000 ]  - [   0.0007458000000000,  0.0004305900000000, -0.0005376400000000 ]  - [  -0.0009532200000000,  0.0005503400000000, -0.0023191100000000 ]  - [   0.0009532200000000,  0.0005503400000000, -0.0023191100000000 ]  - [   0.0000000000000000, -0.0000318800000000, -0.0015664600000000 ]  - [   0.0000276100000000,  0.0000159400000000, -0.0015664600000000 ]  - [   0.0000000000000000,  0.0010879000000000, -0.0020206800000000 ]  - [  -0.0000276100000000,  0.0000159400000000, -0.0015664600000000 ]  - [   0.0000000000000000, -0.0011006800000000, -0.0023191100000000 ]  - [   0.0009421500000000, -0.0005439500000000, -0.0020206800000000 ]  - [  -0.0009421500000000, -0.0005439500000000, -0.0020206800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0544838300000000 ]  - [  -0.0027885200000000, -0.0006741500000000,  0.0007105500000000 ]  - [   0.0027885200000000, -0.0006741500000000,  0.0007105500000000 ]  - [   0.0019780900000000, -0.0020778500000000,  0.0007105500000000 ]  - [  -0.0019780900000000, -0.0020778500000000,  0.0007105500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002445000000000 ]  - [  -0.0008104200000000,  0.0027520100000000,  0.0007105500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001382900000000 ]  - [   0.0008104200000000,  0.0027520100000000,  0.0007105500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1664263800000000 ]  - [   0.0000011100000000, -0.0000218600000000, -0.0038599300000000 ]  - [  -0.0000011100000000, -0.0000218600000000, -0.0038599300000000 ]  - [   0.0000183700000000,  0.0000118900000000, -0.0038599300000000 ]  - [  -0.0000183700000000,  0.0000118900000000, -0.0038599300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009696000000000 ]  - [   0.0000194800000000,  0.0000099700000000, -0.0038599300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009697500000000 ]  - [  -0.0000194800000000,  0.0000099700000000, -0.0038599300000000 ]  - [  -0.0000176400000000,  0.0000101800000000,  0.0020651000000000 ]  - [   0.0000176400000000,  0.0000101800000000,  0.0020651000000000 ]  - [   0.0000000000000000,  0.0000333600000000,  0.0009456900000000 ]  - [  -0.0000288900000000, -0.0000166800000000,  0.0009456900000000 ]  - [   0.0000000000000000, -0.0000134100000000,  0.0014425900000000 ]  - [   0.0000288900000000, -0.0000166800000000,  0.0009456900000000 ]  - [   0.0000000000000000, -0.0000203700000000,  0.0020651000000000 ]  - [  -0.0000116100000000,  0.0000067000000000,  0.0014425900000000 ]  - [   0.0000116100000000,  0.0000067000000000,  0.0014425900000000 ]  - [   0.0054782200000000,  0.0031628500000000,  0.0065814700000000 ]  - [  -0.0054782200000000,  0.0031628500000000,  0.0065814700000000 ]  - [   0.0000000000000000, -0.0001130100000000, -0.0012871100000000 ]  - [   0.0007143400000000, -0.0004124300000000, -0.0010129500000000 ]  - [   0.0000000000000000, -0.0063257000000000,  0.0065814700000000 ]  - [  -0.0007143400000000, -0.0004124300000000, -0.0010129500000000 ]  - [   0.0000000000000000,  0.0008248500000000, -0.0010129500000000 ]  - [   0.0000978700000000,  0.0000565000000000, -0.0012871100000000 ]  - [  -0.0000978700000000,  0.0000565000000000, -0.0012871100000000 ]  - [   0.0001924900000000,  0.0001111300000000,  0.0037738700000000 ]  - [  -0.0001924900000000,  0.0001111300000000,  0.0037738700000000 ]  - [   0.0000000000000000, -0.0000530600000000, -0.0001583400000000 ]  - [  -0.0002649900000000,  0.0001529900000000, -0.0000441900000000 ]  - [   0.0000000000000000, -0.0002222700000000,  0.0037738700000000 ]  - [   0.0002649900000000,  0.0001529900000000, -0.0000441900000000 ]  - [   0.0000000000000000, -0.0003059800000000, -0.0000441900000000 ]  - [   0.0000459500000000,  0.0000265300000000, -0.0001583400000000 ]  - [  -0.0000459500000000,  0.0000265300000000, -0.0001583400000000 ]  - [  -0.0001874900000000, -0.0001082500000000,  0.0051810700000000 ]  - [   0.0001874900000000, -0.0001082500000000,  0.0051810700000000 ]  - [   0.0000000000000000,  0.0000460800000000,  0.0012706800000000 ]  - [   0.0002712100000000, -0.0001565800000000,  0.0013822000000000 ]  - [   0.0000000000000000,  0.0002165000000000,  0.0051810700000000 ]  - [  -0.0002712100000000, -0.0001565800000000,  0.0013822000000000 ]  - [   0.0000000000000000,  0.0003131700000000,  0.0013822000000000 ]  - [  -0.0000399100000000, -0.0000230400000000,  0.0012706800000000 ]  - [   0.0000399100000000, -0.0000230400000000,  0.0012706800000000 ]  - [  -0.0055235200000000, -0.0031890100000000,  0.0080487100000000 ]  - [   0.0055235200000000, -0.0031890100000000,  0.0080487100000000 ]  - [   0.0000000000000000,  0.0001233300000000,  0.0001335400000000 ]  - [  -0.0007164700000000,  0.0004136600000000,  0.0004165800000000 ]  - [   0.0000000000000000,  0.0063780100000000,  0.0080487100000000 ]  - [   0.0007164700000000,  0.0004136600000000,  0.0004165800000000 ]  - [   0.0000000000000000, -0.0008273100000000,  0.0004165800000000 ]  - [  -0.0001068100000000, -0.0000616700000000,  0.0001335400000000 ]  - [   0.0001068100000000, -0.0000616700000000,  0.0001335400000000 ]  - [   0.0012613500000000,  0.0007282400000000, -0.0048592500000000 ]  - [  -0.0012613500000000,  0.0007282400000000, -0.0048592500000000 ]  - [   0.0000000000000000, -0.0000413100000000, -0.0004168300000000 ]  - [  -0.0000812300000000,  0.0000469000000000, -0.0005521100000000 ]  - [   0.0000000000000000, -0.0014564800000000, -0.0048592500000000 ]  - [   0.0000812300000000,  0.0000469000000000, -0.0005521100000000 ]  - [   0.0000000000000000, -0.0000938000000000, -0.0005521100000000 ]  - [   0.0000357800000000,  0.0000206600000000, -0.0004168300000000 ]  - [  -0.0000357800000000,  0.0000206600000000, -0.0004168300000000 ]  - [  -0.0012702000000000, -0.0007333500000000, -0.0048764600000000 ]  - [   0.0012702000000000, -0.0007333500000000, -0.0048764600000000 ]  - [   0.0000000000000000,  0.0000424500000000, -0.0004230900000000 ]  - [   0.0000798100000000, -0.0000460800000000, -0.0005597100000000 ]  - [   0.0000000000000000,  0.0014667000000000, -0.0048764600000000 ]  - [  -0.0000798100000000, -0.0000460800000000, -0.0005597100000000 ]  - [   0.0000000000000000,  0.0000921600000000, -0.0005597100000000 ]  - [  -0.0000367600000000, -0.0000212300000000, -0.0004230900000000 ]  - [   0.0000367600000000, -0.0000212300000000, -0.0004230900000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0060962700000000, -0.0000139000000000,  0.0000151500000000 ]  - [  -0.0018534500000000,  0.0001112000000000, -0.0010475900000000 ]  - [  -0.0013591300000000, -0.0010151600000000,  0.0010359900000000 ]  - [   0.0008067000000000,  0.0017418100000000,  0.0003210500000000 ]  - [  -0.0001604300000000, -0.0017716500000000, -0.0003243700000000 ]  - [  -0.0003969400000000, -0.0000105000000000, -0.0000007100000000 ]  - [   0.0006489600000000,  0.0009327800000000, -0.0007210200000000 ]  - [  -0.0006815700000000,  0.0000094300000000, -0.0000001700000000 ]  - [   0.0001354700000000, -0.0000889400000000,  0.0007176600000000 ]  - [  -0.0005755600000000,  0.0000218900000000, -0.0000195400000000 ]  - [  -0.0001856600000000,  0.0006153600000000,  0.0004785200000000 ]  - [   0.0002886000000000,  0.0002792000000000, -0.0004713300000000 ]  - [  -0.0001794400000000, -0.0004175000000000, -0.0001744500000000 ]  - [   0.0003213400000000, -0.0004277800000000,  0.0001771900000000 ]  - [  -0.0002128500000000,  0.0000022900000000,  0.0000017200000000 ]  - [  -0.0005714900000000, -0.0000629800000000,  0.0002989200000000 ]  - [   0.0000572200000000,  0.0000188100000000,  0.0000019700000000 ]  - [   0.0004114100000000,  0.0000765700000000, -0.0002988400000000 ]  - [   0.0237351200000000,  0.0086851400000000,  0.0064513000000000 ]  - [  -0.0032050700000000,  0.0001677100000000,  0.0007425400000000 ]  - [   0.0221730800000000, -0.0076262200000000, -0.0044711000000000 ]  - [   0.0016579400000000,  0.0000327000000000,  0.0007667400000000 ]  - [  -0.0006476900000000, -0.0014762100000000,  0.0009737400000000 ]  - [  -0.0009339800000000,  0.0013107300000000,  0.0005284200000000 ]  - [  -0.0016726400000000,  0.0019329600000000, -0.0000159800000000 ]  - [  -0.0017215200000000, -0.0019417100000000,  0.0015532700000000 ]  - [   0.0088319800000000, -0.0001262300000000,  0.0007190200000000 ]  - [   0.0002282700000000,  0.0001816100000000,  0.0007285800000000 ]  - [  -0.0000663600000000,  0.0000033900000000,  0.0008022400000000 ]  - [  -0.0001255600000000,  0.0000293600000000,  0.0007369500000000 ]  - [   0.0001888400000000,  0.0001615600000000,  0.0007669200000000 ]  - [  -0.0000966600000000, -0.0000003900000000,  0.0007297700000000 ]  - [  -0.0000713800000000, -0.0000344800000000,  0.0007735900000000 ]  - [   0.0001800100000000,  0.0000157900000000,  0.0006260400000000 ]  - [  -0.0000922100000000, -0.0001744200000000,  0.0007507200000000 ]  - [  -0.0001341200000000, -0.0002187500000000,  0.0008285500000000 ]  - [   0.0002390900000000,  0.0002130100000000, -0.0007315200000000 ]  - [  -0.0003183900000000, -0.0005469200000000, -0.0003204000000000 ]  - [  -0.0003817000000000,  0.0005737700000000, -0.0012099000000000 ]  - [  -0.0001649500000000,  0.0007018200000000, -0.0007264700000000 ]  - [  -0.0004577100000000, -0.0005409500000000, -0.0007653000000000 ]  - [   0.0006210700000000, -0.0000398800000000, -0.0007713200000000 ]  - [   0.0009567900000000, -0.0004176900000000,  0.0010230000000000 ]  - [  -0.0013869100000000, -0.0001719000000000, -0.0007449900000000 ]  - [   0.0005784800000000,  0.0001933100000000, -0.0024739600000000 ]  - [   0.0005980500000000,  0.0003955300000000, -0.0021966300000000 ]  - [  -0.0005425400000000,  0.0001737300000000, -0.0007506600000000 ]  - [   0.0002849800000000, -0.0001953600000000,  0.0007305400000000 ]  - [   0.0003558100000000,  0.0000349300000000, -0.0007713000000000 ]  - [  -0.0000496800000000, -0.0002835100000000, -0.0008677700000000 ]  - [  -0.0003359400000000,  0.0001170900000000, -0.0006449400000000 ]  - [  -0.0000063600000000,  0.0002145600000000, -0.0011042600000000 ]  - [  -0.0000699900000000, -0.0002431500000000, -0.0004496100000000 ]  - [  -0.0000727400000000, -0.0001770300000000, -0.0007316900000000 ]  - [   0.0009433300000000,  0.0018658900000000,  0.0055145700000000 ]  - [   0.0016735200000000, -0.0000338500000000,  0.0000055400000000 ]  - [   0.0009375400000000, -0.0018330300000000, -0.0054872300000000 ]  - [  -0.0006944400000000,  0.0000653300000000,  0.0000021900000000 ]  - [   0.0002960400000000,  0.0008092300000000, -0.0001004800000000 ]  - [   0.0003735500000000, -0.0007361900000000,  0.0001041800000000 ]  - [   0.0005244100000000, -0.0006959100000000,  0.0007195600000000 ]  - [   0.0004341200000000,  0.0006589700000000, -0.0007115400000000 ]  - [  -0.0022629900000000,  0.0000079000000000, -0.0000035100000000 ]  - [  -0.0000300700000000, -0.0000159200000000,  0.0000093400000000 ]  - [   0.0001661100000000,  0.0001008500000000, -0.0002695300000000 ]  - [   0.0000776300000000, -0.0000682300000000,  0.0002664000000000 ]  - [   0.0000010600000000, -0.0001597500000000, -0.0000435800000000 ]  - [   0.0000812100000000,  0.0000906600000000,  0.0000422000000000 ]  - [  -0.0000248700000000, -0.0000619000000000,  0.0000001700000000 ]  - [  -0.0003504900000000,  0.0001737500000000,  0.0001986200000000 ]  - [   0.0002575600000000,  0.0000348300000000, -0.0000030700000000 ]  - [  -0.0003390300000000, -0.0001899800000000, -0.0001816600000000 ]  - [  -0.0932384000000000, -0.0009579000000000, -0.0028158000000000 ]  - [   0.0077699400000000,  0.0001245000000000, -0.0023283300000000 ]  - [   0.0077003300000000, -0.0001207800000000,  0.0008848700000000 ]  - [   0.0007362800000000, -0.0039147100000000,  0.0002604700000000 ]  - [   0.0007421100000000,  0.0039174800000000, -0.0017002900000000 ]  - [   0.0006277100000000,  0.0000002300000000, -0.0007184700000000 ]  - [   0.0007292000000000, -0.0041731200000000, -0.0013436800000000 ]  - [   0.0006275300000000, -0.0000058100000000, -0.0007129400000000 ]  - [   0.0007498500000000,  0.0041502500000000, -0.0000934600000000 ]  - [   0.0000346400000000,  0.0000033700000000, -0.0007065000000000 ]  - [  -0.0000494600000000, -0.0000634700000000, -0.0003379800000000 ]  - [  -0.0000367300000000,  0.0000575300000000, -0.0010885000000000 ]  - [  -0.0000395200000000,  0.0000590000000000, -0.0010275100000000 ]  - [  -0.0000567600000000, -0.0000565600000000, -0.0004025100000000 ]  - [   0.0001109400000000,  0.0000038500000000, -0.0007118600000000 ]  - [   0.0000589500000000,  0.0000087800000000, -0.0006462900000000 ]  - [  -0.0000694100000000,  0.0000029200000000, -0.0007167300000000 ]  - [   0.0000546400000000,  0.0000148400000000, -0.0007764200000000 ]  - [  -0.0186466600000000, -0.0000060900000000,  0.0007748300000000 ]  - [  -0.0002798000000000, -0.0000310800000000, -0.0021401300000000 ]  - [  -0.0002551900000000,  0.0000246400000000,  0.0035371500000000 ]  - [  -0.0002004800000000,  0.0000573100000000,  0.0021704100000000 ]  - [  -0.0002231100000000, -0.0000629900000000, -0.0007565200000000 ]  - [   0.0002658100000000,  0.0000054100000000,  0.0007072300000000 ]  - [  -0.0001651100000000,  0.0000482000000000, -0.0006639200000000 ]  - [   0.0002175500000000,  0.0000020300000000,  0.0007109500000000 ]  - [  -0.0001617800000000, -0.0000159400000000,  0.0020892300000000 ]  - [  -0.0007422900000000, -0.0000048000000000,  0.0007092000000000 ]  - [   0.0004488600000000, -0.0002022700000000,  0.0013692700000000 ]  - [   0.0004597500000000,  0.0002065900000000,  0.0000569300000000 ]  - [  -0.0001290600000000, -0.0005496100000000,  0.0000429400000000 ]  - [  -0.0001228600000000,  0.0005288600000000,  0.0013912800000000 ]  - [   0.0001778900000000, -0.0000028100000000,  0.0007189200000000 ]  - [  -0.0001342600000000, -0.0001324500000000,  0.0006976500000000 ]  - [   0.0001778200000000, -0.0000032900000000,  0.0007100200000000 ]  - [  -0.0001172800000000,  0.0001291200000000,  0.0007358800000000 ]  - [   0.0397597300000000,  0.0000232100000000,  0.0014738000000000 ]  - [   0.0001607000000000,  0.0000054500000000,  0.0054236400000000 ]  - [   0.0001604200000000, -0.0000047000000000, -0.0053701400000000 ]  - [   0.0000818300000000, -0.0000587600000000, -0.0027063900000000 ]  - [   0.0000830000000000,  0.0000575700000000,  0.0027318800000000 ]  - [  -0.0000532600000000, -0.0000001800000000,  0.0000058400000000 ]  - [   0.0000676900000000, -0.0000421000000000,  0.0026834400000000 ]  - [  -0.0000486700000000,  0.0000005900000000,  0.0000065400000000 ]  - [   0.0000658100000000,  0.0000402000000000, -0.0026721000000000 ]  - [  -0.0001560400000000, -0.0000002600000000,  0.0000009400000000 ]  - [   0.0000957400000000, -0.0000625800000000, -0.0003682100000000 ]  - [   0.0000928200000000,  0.0000617100000000,  0.0003730300000000 ]  - [  -0.0000174300000000, -0.0001603400000000,  0.0003272000000000 ]  - [  -0.0000159600000000,  0.0001635100000000, -0.0003243000000000 ]  - [   0.0000100800000000,  0.0000004600000000,  0.0000004900000000 ]  - [  -0.0000469700000000,  0.0000146300000000, -0.0000474400000000 ]  - [   0.0000581100000000,  0.0000001200000000,  0.0000027000000000 ]  - [  -0.0000482800000000, -0.0000172100000000,  0.0000432700000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0153515200000000 ]  - [  -0.0023981600000000,  0.0008934300000000,  0.0004781100000000 ]  - [   0.0023981600000000,  0.0008934300000000,  0.0004781100000000 ]  - [   0.0004253400000000, -0.0025235800000000,  0.0004781100000000 ]  - [  -0.0004253400000000, -0.0025235800000000,  0.0004781100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002167800000000 ]  - [  -0.0019728200000000,  0.0016301500000000,  0.0004781100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002548700000000 ]  - [   0.0019728200000000,  0.0016301500000000,  0.0004781100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0089274400000000 ]  - [   0.0009424500000000,  0.0010954000000000, -0.0005579700000000 ]  - [  -0.0009424500000000,  0.0010954000000000, -0.0005579700000000 ]  - [  -0.0014198600000000,  0.0002684900000000, -0.0005579700000000 ]  - [   0.0014198600000000,  0.0002684900000000, -0.0005579700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002403700000000 ]  - [  -0.0004774200000000, -0.0013638800000000, -0.0005579700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002513300000000 ]  - [   0.0004774200000000, -0.0013638800000000, -0.0005579700000000 ]  - [   0.0051583900000000,  0.0029782000000000,  0.0119493500000000 ]  - [   0.0000000000000000,  0.0002784600000000,  0.0020697700000000 ]  - [  -0.0051583900000000,  0.0029782000000000,  0.0119493500000000 ]  - [   0.0000000000000000, -0.0007788400000000,  0.0021515500000000 ]  - [   0.0002411500000000, -0.0001392300000000,  0.0020697700000000 ]  - [  -0.0002411500000000, -0.0001392300000000,  0.0020697700000000 ]  - [  -0.0006745000000000,  0.0003894200000000,  0.0021515500000000 ]  - [   0.0006745000000000,  0.0003894200000000,  0.0021515500000000 ]  - [   0.0000000000000000, -0.0059563900000000,  0.0119493500000000 ]  - [   0.0000000000000000,  0.0000661400000000, -0.0016021400000000 ]  - [   0.0001190700000000,  0.0000687500000000, -0.0003372500000000 ]  - [  -0.0001190700000000,  0.0000687500000000, -0.0003372500000000 ]  - [   0.0001079700000000,  0.0000623300000000, -0.0004504000000000 ]  - [  -0.0001079700000000,  0.0000623300000000, -0.0004504000000000 ]  - [   0.0000000000000000, -0.0001374900000000, -0.0003372500000000 ]  - [   0.0000572800000000, -0.0000330700000000, -0.0016021400000000 ]  - [   0.0000000000000000, -0.0001246700000000, -0.0004504000000000 ]  - [  -0.0000572800000000, -0.0000330700000000, -0.0016021400000000 ]  - [   0.0000000000000000,  0.0128171800000000, -0.0030414700000000 ]  - [   0.0011082000000000,  0.0006398200000000, -0.0006949800000000 ]  - [  -0.0011082000000000,  0.0006398200000000, -0.0006949800000000 ]  - [   0.0005841200000000,  0.0003372400000000, -0.0006417500000000 ]  - [  -0.0005841200000000,  0.0003372400000000, -0.0006417500000000 ]  - [   0.0000000000000000, -0.0012796400000000, -0.0006949800000000 ]  - [   0.0111000000000000, -0.0064085900000000, -0.0030414700000000 ]  - [   0.0000000000000000, -0.0006744800000000, -0.0006417500000000 ]  - [  -0.0111000000000000, -0.0064085900000000, -0.0030414700000000 ]  - [   0.0002666300000000,  0.0001539400000000, -0.0037031900000000 ]  - [   0.0000000000000000,  0.0001012300000000, -0.0016378500000000 ]  - [  -0.0002666300000000,  0.0001539400000000, -0.0037031900000000 ]  - [   0.0000000000000000, -0.0003302500000000, -0.0015481400000000 ]  - [   0.0000876700000000, -0.0000506100000000, -0.0016378500000000 ]  - [  -0.0000876700000000, -0.0000506100000000, -0.0016378500000000 ]  - [  -0.0002860000000000,  0.0001651200000000, -0.0015481400000000 ]  - [   0.0002860000000000,  0.0001651200000000, -0.0015481400000000 ]  - [   0.0000000000000000, -0.0003078800000000, -0.0037031900000000 ]  - [   0.0059037800000000,  0.0034085500000000,  0.0073272600000000 ]  - [   0.0000000000000000, -0.0002127300000000, -0.0005779500000000 ]  - [  -0.0059037800000000,  0.0034085500000000,  0.0073272600000000 ]  - [   0.0000000000000000,  0.0011965600000000, -0.0003007400000000 ]  - [  -0.0001842300000000,  0.0001063600000000, -0.0005779500000000 ]  - [   0.0001842300000000,  0.0001063600000000, -0.0005779500000000 ]  - [   0.0010362600000000, -0.0005982800000000, -0.0003007400000000 ]  - [  -0.0010362600000000, -0.0005982800000000, -0.0003007400000000 ]  - [   0.0000000000000000, -0.0068170900000000,  0.0073272600000000 ]  - [   0.0000000000000000, -0.0028610600000000,  0.0044582400000000 ]  - [  -0.0005688400000000, -0.0003284200000000,  0.0006679800000000 ]  - [   0.0005688400000000, -0.0003284200000000,  0.0006679800000000 ]  - [  -0.0000474300000000, -0.0000273800000000,  0.0005581100000000 ]  - [   0.0000474300000000, -0.0000273800000000,  0.0005581100000000 ]  - [   0.0000000000000000,  0.0006568400000000,  0.0006679800000000 ]  - [  -0.0024777500000000,  0.0014305300000000,  0.0044582400000000 ]  - [   0.0000000000000000,  0.0000547600000000,  0.0005581100000000 ]  - [   0.0024777500000000,  0.0014305300000000,  0.0044582400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.4802436600000000 ]  - [   0.0015818900000000, -0.0001989000000000, -0.0051050100000000 ]  - [  -0.0015818900000000, -0.0001989000000000, -0.0051050100000000 ]  - [  -0.0006186900000000,  0.0014694100000000, -0.0051050100000000 ]  - [   0.0006186900000000,  0.0014694100000000, -0.0051050100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026062200000000 ]  - [   0.0009632000000000, -0.0012705100000000, -0.0051050100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025954000000000 ]  - [  -0.0009632000000000, -0.0012705100000000, -0.0051050100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026837800000000 ]  - [  -0.0003780000000000, -0.0001480900000000,  0.0017420500000000 ]  - [   0.0003780000000000, -0.0001480900000000,  0.0017420500000000 ]  - [   0.0003172500000000, -0.0002533100000000,  0.0017420500000000 ]  - [  -0.0003172500000000, -0.0002533100000000,  0.0017420500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008821400000000 ]  - [  -0.0000607500000000,  0.0004014100000000,  0.0017420500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009021100000000 ]  - [   0.0000607500000000,  0.0004014100000000,  0.0017420500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0569850200000000 ]  - [  -0.0028282300000000, -0.0000557100000000, -0.0023221500000000 ]  - [   0.0028282300000000, -0.0000557100000000, -0.0023221500000000 ]  - [   0.0014623600000000, -0.0024214600000000, -0.0023221500000000 ]  - [  -0.0014623600000000, -0.0024214600000000, -0.0023221500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007531700000000 ]  - [  -0.0013658700000000,  0.0024771700000000, -0.0023221500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006936200000000 ]  - [   0.0013658700000000,  0.0024771700000000, -0.0023221500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043189200000000 ]  - [   0.0006512000000000, -0.0003926400000000,  0.0032467800000000 ]  - [  -0.0006512000000000, -0.0003926400000000,  0.0032467800000000 ]  - [   0.0000144400000000,  0.0007602800000000,  0.0032467800000000 ]  - [  -0.0000144400000000,  0.0007602800000000,  0.0032467800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021800900000000 ]  - [   0.0006656400000000, -0.0003676300000000,  0.0032467800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021699800000000 ]  - [  -0.0006656400000000, -0.0003676300000000,  0.0032467800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3967810000000000 ]  - [   0.0004514900000000, -0.0000620300000000,  0.0051239600000000 ]  - [  -0.0004514900000000, -0.0000620300000000,  0.0051239600000000 ]  - [  -0.0001720300000000,  0.0004220100000000,  0.0051239600000000 ]  - [   0.0001720300000000,  0.0004220100000000,  0.0051239600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021670200000000 ]  - [   0.0002794600000000, -0.0003599900000000,  0.0051239600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020837300000000 ]  - [  -0.0002794600000000, -0.0003599900000000,  0.0051239600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030136400000000 ]  - [   0.0000672900000000, -0.0002098100000000, -0.0022193100000000 ]  - [  -0.0000672900000000, -0.0002098100000000, -0.0022193100000000 ]  - [   0.0001480600000000,  0.0001631800000000, -0.0022193100000000 ]  - [  -0.0001480600000000,  0.0001631800000000, -0.0022193100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016187400000000 ]  - [   0.0002153500000000,  0.0000466300000000, -0.0022193100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015883000000000 ]  - [  -0.0002153500000000,  0.0000466300000000, -0.0022193100000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0154925300000000 ]  - [   0.0019148200000000, -0.0017644500000000, -0.0004749500000000 ]  - [  -0.0019148200000000, -0.0017644500000000, -0.0004749500000000 ]  - [   0.0005706500000000,  0.0025405100000000, -0.0004749500000000 ]  - [  -0.0005706500000000,  0.0025405100000000, -0.0004749500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002156800000000 ]  - [   0.0024854700000000, -0.0007760500000000, -0.0004749500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002537300000000 ]  - [  -0.0024854700000000, -0.0007760500000000, -0.0004749500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0090314600000000 ]  - [  -0.0014500900000000, -0.0002378900000000,  0.0005603300000000 ]  - [   0.0014500900000000, -0.0002378900000000,  0.0005603300000000 ]  - [   0.0009310600000000, -0.0011368700000000,  0.0005603300000000 ]  - [  -0.0009310600000000, -0.0011368700000000,  0.0005603300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002393600000000 ]  - [  -0.0005190300000000,  0.0013747600000000,  0.0005603300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002507300000000 ]  - [   0.0005190300000000,  0.0013747600000000,  0.0005603300000000 ]  - [  -0.0047065400000000, -0.0027173200000000, -0.0105642000000000 ]  - [   0.0000000000000000,  0.0000649100000000, -0.0005894400000000 ]  - [   0.0047065400000000, -0.0027173200000000, -0.0105642000000000 ]  - [   0.0000000000000000,  0.0008555100000000, -0.0006249800000000 ]  - [   0.0000562200000000, -0.0000324600000000, -0.0005894400000000 ]  - [  -0.0000562200000000, -0.0000324600000000, -0.0005894400000000 ]  - [   0.0007408900000000, -0.0004277600000000, -0.0006249800000000 ]  - [  -0.0007408900000000, -0.0004277600000000, -0.0006249800000000 ]  - [   0.0000000000000000,  0.0054346500000000, -0.0105642000000000 ]  - [   0.0000000000000000,  0.0003024100000000,  0.0030693500000000 ]  - [  -0.0000615300000000, -0.0000355200000000,  0.0018763900000000 ]  - [   0.0000615300000000, -0.0000355200000000,  0.0018763900000000 ]  - [   0.0001828000000000,  0.0001055400000000,  0.0019428900000000 ]  - [  -0.0001828000000000,  0.0001055400000000,  0.0019428900000000 ]  - [   0.0000000000000000,  0.0000710400000000,  0.0018763900000000 ]  - [   0.0002618900000000, -0.0001512000000000,  0.0030693500000000 ]  - [   0.0000000000000000, -0.0002110800000000,  0.0019428900000000 ]  - [  -0.0002618900000000, -0.0001512000000000,  0.0030693500000000 ]  - [   0.0000000000000000, -0.0125722100000000,  0.0016071600000000 ]  - [  -0.0010637100000000, -0.0006141300000000, -0.0008391100000000 ]  - [   0.0010637100000000, -0.0006141300000000, -0.0008391100000000 ]  - [  -0.0002974400000000, -0.0001717300000000, -0.0008456600000000 ]  - [   0.0002974400000000, -0.0001717300000000, -0.0008456600000000 ]  - [   0.0000000000000000,  0.0012282600000000, -0.0008391100000000 ]  - [  -0.0108878500000000,  0.0062861100000000,  0.0016071600000000 ]  - [   0.0000000000000000,  0.0003434500000000, -0.0008456600000000 ]  - [   0.0108878500000000,  0.0062861100000000,  0.0016071600000000 ]  - [   0.0000505400000000,  0.0000291800000000,  0.0022804400000000 ]  - [   0.0000000000000000,  0.0002342700000000,  0.0001645200000000 ]  - [  -0.0000505400000000,  0.0000291800000000,  0.0022804400000000 ]  - [   0.0000000000000000,  0.0003988900000000,  0.0000297500000000 ]  - [   0.0002028800000000, -0.0001171300000000,  0.0001645200000000 ]  - [  -0.0002028800000000, -0.0001171300000000,  0.0001645200000000 ]  - [   0.0003454500000000, -0.0001994500000000,  0.0000297500000000 ]  - [  -0.0003454500000000, -0.0001994500000000,  0.0000297500000000 ]  - [   0.0000000000000000, -0.0000583600000000,  0.0022804400000000 ]  - [  -0.0058603600000000, -0.0033834800000000, -0.0073086800000000 ]  - [   0.0000000000000000,  0.0001194600000000,  0.0005716000000000 ]  - [   0.0058603600000000, -0.0033834800000000, -0.0073086800000000 ]  - [   0.0000000000000000, -0.0010953000000000,  0.0002955300000000 ]  - [   0.0001034600000000, -0.0000597300000000,  0.0005716000000000 ]  - [  -0.0001034600000000, -0.0000597300000000,  0.0005716000000000 ]  - [  -0.0009485600000000,  0.0005476500000000,  0.0002955300000000 ]  - [   0.0009485600000000,  0.0005476500000000,  0.0002955300000000 ]  - [   0.0000000000000000,  0.0067669600000000, -0.0073086800000000 ]  - [   0.0000000000000000,  0.0028999000000000, -0.0045064500000000 ]  - [   0.0006682000000000,  0.0003857900000000, -0.0006712900000000 ]  - [  -0.0006682000000000,  0.0003857900000000, -0.0006712900000000 ]  - [  -0.0000328600000000, -0.0000189700000000, -0.0005594000000000 ]  - [   0.0000328600000000, -0.0000189700000000, -0.0005594000000000 ]  - [   0.0000000000000000, -0.0007715800000000, -0.0006712900000000 ]  - [   0.0025113900000000, -0.0014499500000000, -0.0045064500000000 ]  - [   0.0000000000000000,  0.0000379400000000, -0.0005594000000000 ]  - [  -0.0025113900000000, -0.0014499500000000, -0.0045064500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.5067636200000000 ]  - [  -0.0016366400000000,  0.0002116400000000,  0.0036771500000000 ]  - [   0.0016366400000000,  0.0002116400000000,  0.0036771500000000 ]  - [   0.0006350400000000, -0.0015231900000000,  0.0036771500000000 ]  - [  -0.0006350400000000, -0.0015231900000000,  0.0036771500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011494800000000 ]  - [  -0.0010016000000000,  0.0013115500000000,  0.0036771500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011564700000000 ]  - [   0.0010016000000000,  0.0013115500000000,  0.0036771500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0041685200000000 ]  - [   0.0003705800000000,  0.0001389300000000, -0.0032291600000000 ]  - [  -0.0003705800000000,  0.0001389300000000, -0.0032291600000000 ]  - [  -0.0003056000000000,  0.0002514700000000, -0.0032291600000000 ]  - [   0.0003056000000000,  0.0002514700000000, -0.0032291600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023508200000000 ]  - [   0.0000649800000000, -0.0003904000000000, -0.0032291600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023911600000000 ]  - [  -0.0000649800000000, -0.0003904000000000, -0.0032291600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0563576900000000 ]  - [   0.0028522700000000,  0.0000448100000000,  0.0038336500000000 ]  - [  -0.0028522700000000,  0.0000448100000000,  0.0038336500000000 ]  - [  -0.0014649400000000,  0.0024477300000000,  0.0038336500000000 ]  - [   0.0014649400000000,  0.0024477300000000,  0.0038336500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022240400000000 ]  - [   0.0013873300000000, -0.0024925400000000,  0.0038336500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021844200000000 ]  - [  -0.0013873300000000, -0.0024925400000000,  0.0038336500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028849800000000 ]  - [  -0.0006646300000000,  0.0004046000000000, -0.0017992700000000 ]  - [   0.0006646300000000,  0.0004046000000000, -0.0017992700000000 ]  - [  -0.0000180800000000, -0.0007778800000000, -0.0017992700000000 ]  - [   0.0000180800000000, -0.0007778800000000, -0.0017992700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007207500000000 ]  - [  -0.0006827000000000,  0.0003732800000000, -0.0017992700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007293800000000 ]  - [   0.0006827000000000,  0.0003732800000000, -0.0017992700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.4239510800000000 ]  - [  -0.0004522300000000,  0.0000622900000000, -0.0052076200000000 ]  - [   0.0004522300000000,  0.0000622900000000, -0.0052076200000000 ]  - [   0.0001721700000000, -0.0004227800000000, -0.0052076200000000 ]  - [  -0.0001721700000000, -0.0004227800000000, -0.0052076200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021889900000000 ]  - [  -0.0002800600000000,  0.0003605000000000, -0.0052076200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021172700000000 ]  - [   0.0002800600000000,  0.0003605000000000, -0.0052076200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030349200000000 ]  - [  -0.0000636100000000,  0.0002108900000000,  0.0022369000000000 ]  - [   0.0000636100000000,  0.0002108900000000,  0.0022369000000000 ]  - [  -0.0001508300000000, -0.0001605400000000,  0.0022369000000000 ]  - [   0.0001508300000000, -0.0001605400000000,  0.0022369000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016267600000000 ]  - [  -0.0002144400000000, -0.0000503500000000,  0.0022369000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016088500000000 ]  - [   0.0002144400000000, -0.0000503500000000,  0.0022369000000000 ]- atom:  109  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0020614300000000, -0.0000225100000000, -0.0000247600000000 ]  - [  -0.0006269400000000, -0.0002272800000000,  0.0001969900000000 ]  - [  -0.0001308300000000, -0.0006715500000000, -0.0001888200000000 ]  - [   0.0006034400000000,  0.0003832900000000, -0.0001706200000000 ]  - [  -0.0003769400000000, -0.0004099000000000,  0.0001684200000000 ]  - [  -0.0001424600000000, -0.0000114900000000,  0.0000001900000000 ]  - [   0.0002648500000000,  0.0005434000000000,  0.0000228100000000 ]  - [  -0.0000309900000000,  0.0000017600000000,  0.0000004900000000 ]  - [  -0.0002280100000000,  0.0003096000000000, -0.0000239600000000 ]  - [   0.0020614300000000,  0.0000225100000000,  0.0000247600000000 ]  - [  -0.0006269400000000,  0.0002272800000000, -0.0001969900000000 ]  - [  -0.0001308300000000,  0.0006715500000000,  0.0001888200000000 ]  - [  -0.0002280100000000, -0.0003096000000000,  0.0000239600000000 ]  - [   0.0002648500000000, -0.0005434000000000, -0.0000228100000000 ]  - [  -0.0000309900000000, -0.0000017600000000, -0.0000004900000000 ]  - [  -0.0003769400000000,  0.0004099000000000, -0.0001684200000000 ]  - [  -0.0001424600000000,  0.0000114900000000, -0.0000001900000000 ]  - [   0.0006034400000000, -0.0003832900000000,  0.0001706200000000 ]  - [   0.0025909400000000,  0.0014726900000000,  0.0073497600000000 ]  - [   0.0003681000000000,  0.0001825500000000,  0.0007504100000000 ]  - [   0.0022531600000000, -0.0011928800000000, -0.0057903900000000 ]  - [  -0.0001823000000000,  0.0000305800000000,  0.0007712600000000 ]  - [   0.0002379200000000,  0.0000780300000000,  0.0008102600000000 ]  - [  -0.0000465400000000, -0.0002365300000000,  0.0006825800000000 ]  - [   0.0000357200000000, -0.0001332200000000,  0.0009699300000000 ]  - [  -0.0000167400000000,  0.0000883000000000,  0.0005763400000000 ]  - [   0.0001139200000000, -0.0001697800000000,  0.0007156200000000 ]  - [   0.0000060700000000,  0.0001806700000000,  0.0007335200000000 ]  - [   0.0000059700000000, -0.0000590300000000,  0.0007660500000000 ]  - [  -0.0000522800000000,  0.0000897900000000,  0.0007782600000000 ]  - [   0.0000869700000000,  0.0001648700000000,  0.0008096600000000 ]  - [  -0.0001996500000000, -0.0000036600000000,  0.0006861200000000 ]  - [   0.0001055700000000, -0.0000340600000000,  0.0007713900000000 ]  - [   0.0003154200000000, -0.0001881500000000,  0.0010813400000000 ]  - [  -0.0002023100000000, -0.0001741100000000,  0.0007454800000000 ]  - [   0.0000025800000000, -0.0000117500000000,  0.0003788400000000 ]  - [   0.0001139200000000,  0.0001697800000000, -0.0007156200000000 ]  - [   0.0000357200000000,  0.0001332200000000, -0.0009699300000000 ]  - [  -0.0000167400000000, -0.0000883000000000, -0.0005763400000000 ]  - [   0.0002379200000000, -0.0000780300000000, -0.0008102600000000 ]  - [  -0.0000465400000000,  0.0002365300000000, -0.0006825800000000 ]  - [  -0.0001823000000000, -0.0000305800000000, -0.0007712600000000 ]  - [   0.0025909400000000, -0.0014726900000000, -0.0073497600000000 ]  - [   0.0003681000000000, -0.0001825500000000, -0.0007504100000000 ]  - [   0.0022531600000000,  0.0011928800000000,  0.0057903900000000 ]  - [   0.0003154200000000,  0.0001881500000000, -0.0010813400000000 ]  - [  -0.0002023100000000,  0.0001741100000000, -0.0007454800000000 ]  - [   0.0000025800000000,  0.0000117500000000, -0.0003788400000000 ]  - [   0.0001055700000000,  0.0000340600000000, -0.0007713900000000 ]  - [   0.0000869700000000, -0.0001648700000000, -0.0008096600000000 ]  - [  -0.0001996500000000,  0.0000036600000000, -0.0006861200000000 ]  - [   0.0000059700000000,  0.0000590300000000, -0.0007660500000000 ]  - [  -0.0000522800000000, -0.0000897900000000, -0.0007782600000000 ]  - [   0.0000060700000000, -0.0001806700000000, -0.0007335200000000 ]  - [   0.0005747800000000,  0.0006806800000000,  0.0012709900000000 ]  - [   0.0001799300000000, -0.0000374500000000, -0.0000047900000000 ]  - [   0.0005526300000000, -0.0006529600000000, -0.0012605000000000 ]  - [  -0.0000869000000000,  0.0000655000000000,  0.0000001600000000 ]  - [  -0.0000038100000000,  0.0001163300000000, -0.0000364000000000 ]  - [   0.0000764300000000, -0.0000495700000000,  0.0000363500000000 ]  - [   0.0001105700000000, -0.0001014200000000, -0.0000818200000000 ]  - [   0.0000146200000000,  0.0000711200000000,  0.0000791700000000 ]  - [  -0.0005913600000000, -0.0000018300000000,  0.0000123400000000 ]  - [  -0.0005913600000000,  0.0000018300000000, -0.0000123400000000 ]  - [   0.0001105700000000,  0.0001014200000000,  0.0000818200000000 ]  - [   0.0000146200000000, -0.0000711200000000, -0.0000791700000000 ]  - [  -0.0000038100000000, -0.0001163300000000,  0.0000364000000000 ]  - [   0.0000764300000000,  0.0000495700000000, -0.0000363500000000 ]  - [  -0.0000869000000000, -0.0000655000000000, -0.0000001600000000 ]  - [   0.0005747800000000, -0.0006806800000000, -0.0012709900000000 ]  - [   0.0001799300000000,  0.0000374500000000,  0.0000047900000000 ]  - [   0.0005526300000000,  0.0006529600000000,  0.0012605000000000 ]  - [   0.0397576800000000, -0.0000180700000000, -0.0019764300000000 ]  - [   0.0001580000000000, -0.0000121800000000, -0.0011790200000000 ]  - [   0.0001632600000000,  0.0000142900000000, -0.0002756400000000 ]  - [   0.0000590400000000, -0.0000550700000000, -0.0004443000000000 ]  - [   0.0000746100000000,  0.0000429300000000, -0.0010043900000000 ]  - [  -0.0000484300000000, -0.0000068100000000, -0.0007307000000000 ]  - [   0.0000807200000000, -0.0000552800000000, -0.0008968300000000 ]  - [  -0.0000534600000000, -0.0000005600000000, -0.0007183600000000 ]  - [   0.0000847700000000,  0.0000451400000000, -0.0005547000000000 ]  - [  -0.0001558900000000,  0.0000027300000000, -0.0007205900000000 ]  - [   0.0000896700000000,  0.0000958800000000, -0.0007889000000000 ]  - [   0.0000991300000000, -0.0001001600000000, -0.0006613300000000 ]  - [  -0.0000101300000000, -0.0000000500000000, -0.0008780800000000 ]  - [  -0.0000227000000000,  0.0000039300000000, -0.0005747700000000 ]  - [   0.0000098900000000,  0.0000034300000000, -0.0007189900000000 ]  - [  -0.0000456400000000, -0.0001331900000000, -0.0009426600000000 ]  - [   0.0000584300000000,  0.0000041900000000, -0.0007312400000000 ]  - [  -0.0000495800000000,  0.0001548700000000, -0.0005125900000000 ]  - [   0.0397576800000000,  0.0000180700000000,  0.0019764300000000 ]  - [   0.0001580000000000,  0.0000121800000000,  0.0011790200000000 ]  - [   0.0001632600000000, -0.0000142900000000,  0.0002756400000000 ]  - [   0.0000847700000000, -0.0000451400000000,  0.0005547000000000 ]  - [   0.0000807200000000,  0.0000552800000000,  0.0008968300000000 ]  - [  -0.0000534600000000,  0.0000005600000000,  0.0007183600000000 ]  - [   0.0000746100000000, -0.0000429300000000,  0.0010043900000000 ]  - [  -0.0000484300000000,  0.0000068100000000,  0.0007307000000000 ]  - [   0.0000590400000000,  0.0000550700000000,  0.0004443000000000 ]  - [  -0.0001558900000000, -0.0000027300000000,  0.0007205900000000 ]  - [   0.0000896700000000, -0.0000958800000000,  0.0007889000000000 ]  - [   0.0000991300000000,  0.0001001600000000,  0.0006613300000000 ]  - [  -0.0000495800000000, -0.0001548700000000,  0.0005125900000000 ]  - [  -0.0000456400000000,  0.0001331900000000,  0.0009426600000000 ]  - [   0.0000584300000000, -0.0000041900000000,  0.0007312400000000 ]  - [  -0.0000227000000000, -0.0000039300000000,  0.0005747700000000 ]  - [   0.0000098900000000, -0.0000034300000000,  0.0007189900000000 ]  - [  -0.0000101300000000,  0.0000000500000000,  0.0008780800000000 ]  - [  -0.0980501000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008512600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008547400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001346700000000, -0.0004163400000000,  0.0000014800000000 ]  - [   0.0001327500000000,  0.0004143500000000, -0.0000028500000000 ]  - [   0.0000184500000000,  0.0000003800000000,  0.0000050700000000 ]  - [   0.0001327500000000, -0.0004143500000000,  0.0000028500000000 ]  - [   0.0000184500000000, -0.0000003800000000, -0.0000050700000000 ]  - [   0.0001346700000000,  0.0004163400000000, -0.0000014800000000 ]  - [  -0.0000618200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000494300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000456000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000156900000000, -0.0000344600000000,  0.0001070500000000 ]  - [  -0.0000135400000000,  0.0000372900000000, -0.0001109700000000 ]  - [   0.0000064600000000, -0.0000001800000000, -0.0000050800000000 ]  - [  -0.0000135400000000, -0.0000372900000000,  0.0001109700000000 ]  - [   0.0000064600000000,  0.0000001800000000,  0.0000050800000000 ]  - [  -0.0000156900000000,  0.0000344600000000, -0.0001070500000000 ]- atom:  109  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0071260100000000 ]  - [   0.0010714200000000, -0.0009558100000000,  0.0005795100000000 ]  - [  -0.0010714200000000, -0.0009558100000000,  0.0005795100000000 ]  - [   0.0002920500000000,  0.0014057800000000,  0.0005795100000000 ]  - [  -0.0002920500000000,  0.0014057800000000,  0.0005795100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000947000000000 ]  - [   0.0013634600000000, -0.0004499700000000,  0.0005795100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000593300000000 ]  - [  -0.0013634600000000, -0.0004499700000000,  0.0005795100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070727700000000 ]  - [  -0.0015604400000000, -0.0000871500000000,  0.0005860700000000 ]  - [   0.0015604400000000, -0.0000871500000000,  0.0005860700000000 ]  - [   0.0008557000000000, -0.0013078000000000,  0.0005860700000000 ]  - [  -0.0008557000000000, -0.0013078000000000,  0.0005860700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000629900000000 ]  - [  -0.0007047400000000,  0.0013949600000000,  0.0005860700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000978500000000 ]  - [   0.0007047400000000,  0.0013949600000000,  0.0005860700000000 ]  - [   0.0157333400000000,  0.0090836500000000,  0.0080669500000000 ]  - [   0.0000000000000000,  0.0009184200000000,  0.0005776500000000 ]  - [  -0.0157333400000000,  0.0090836500000000,  0.0080669500000000 ]  - [   0.0000000000000000,  0.0019519600000000,  0.0005112500000000 ]  - [   0.0007953800000000, -0.0004592100000000,  0.0005776500000000 ]  - [  -0.0007953800000000, -0.0004592100000000,  0.0005776500000000 ]  - [   0.0016904500000000, -0.0009759800000000,  0.0005112500000000 ]  - [  -0.0016904500000000, -0.0009759800000000,  0.0005112500000000 ]  - [   0.0000000000000000, -0.0181672900000000,  0.0080669500000000 ]  - [   0.0000000000000000,  0.0001598500000000,  0.0028233800000000 ]  - [  -0.0000927400000000, -0.0000535400000000,  0.0018044100000000 ]  - [   0.0000927400000000, -0.0000535400000000,  0.0018044100000000 ]  - [   0.0001313000000000,  0.0000758000000000,  0.0017672200000000 ]  - [  -0.0001313000000000,  0.0000758000000000,  0.0017672200000000 ]  - [   0.0000000000000000,  0.0001070900000000,  0.0018044100000000 ]  - [   0.0001384300000000, -0.0000799200000000,  0.0028233800000000 ]  - [   0.0000000000000000, -0.0001516100000000,  0.0017672200000000 ]  - [  -0.0001384300000000, -0.0000799200000000,  0.0028233800000000 ]  - [   0.0000000000000000, -0.0177072800000000,  0.0066463300000000 ]  - [  -0.0016359800000000, -0.0009445300000000, -0.0010143000000000 ]  - [   0.0016359800000000, -0.0009445300000000, -0.0010143000000000 ]  - [  -0.0005064900000000, -0.0002924200000000, -0.0009032200000000 ]  - [   0.0005064900000000, -0.0002924200000000, -0.0009032200000000 ]  - [   0.0000000000000000,  0.0018890700000000, -0.0010143000000000 ]  - [  -0.0153349500000000,  0.0088536400000000,  0.0066463300000000 ]  - [   0.0000000000000000,  0.0005848400000000, -0.0009032200000000 ]  - [   0.0153349500000000,  0.0088536400000000,  0.0066463300000000 ]  - [   0.0001810900000000,  0.0001045500000000,  0.0013733000000000 ]  - [   0.0000000000000000,  0.0001853000000000,  0.0002745800000000 ]  - [  -0.0001810900000000,  0.0001045500000000,  0.0013733000000000 ]  - [   0.0000000000000000,  0.0001761700000000,  0.0002660000000000 ]  - [   0.0001604700000000, -0.0000926500000000,  0.0002745800000000 ]  - [  -0.0001604700000000, -0.0000926500000000,  0.0002745800000000 ]  - [   0.0001525700000000, -0.0000880900000000,  0.0002660000000000 ]  - [  -0.0001525700000000, -0.0000880900000000,  0.0002660000000000 ]  - [   0.0000000000000000, -0.0002091000000000,  0.0013733000000000 ]  - [  -0.0025188900000000, -0.0014542800000000, -0.0048754800000000 ]  - [   0.0000000000000000, -0.0001506200000000, -0.0004165400000000 ]  - [   0.0025188900000000, -0.0014542800000000, -0.0048754800000000 ]  - [   0.0000000000000000, -0.0007752200000000, -0.0005499500000000 ]  - [  -0.0001304400000000,  0.0000753100000000, -0.0004165400000000 ]  - [   0.0001304400000000,  0.0000753100000000, -0.0004165400000000 ]  - [  -0.0006713600000000,  0.0003876100000000, -0.0005499500000000 ]  - [   0.0006713600000000,  0.0003876100000000, -0.0005499500000000 ]  - [   0.0000000000000000,  0.0029085700000000, -0.0048754800000000 ]  - [   0.0000000000000000,  0.0028984700000000, -0.0048639800000000 ]  - [   0.0007611900000000,  0.0004394700000000, -0.0005567000000000 ]  - [  -0.0007611900000000,  0.0004394700000000, -0.0005567000000000 ]  - [   0.0000511000000000,  0.0000295000000000, -0.0004236600000000 ]  - [  -0.0000511000000000,  0.0000295000000000, -0.0004236600000000 ]  - [   0.0000000000000000, -0.0008789500000000, -0.0005567000000000 ]  - [   0.0025101500000000, -0.0014492400000000, -0.0048639800000000 ]  - [   0.0000000000000000, -0.0000590000000000, -0.0004236600000000 ]  - [  -0.0025101500000000, -0.0014492400000000, -0.0048639800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.4232583900000000 ]  - [  -0.0054037200000000,  0.0000299200000000,  0.0044442300000000 ]  - [   0.0054037200000000,  0.0000299200000000,  0.0044442300000000 ]  - [   0.0026759500000000, -0.0046947100000000,  0.0044442300000000 ]  - [  -0.0026759500000000, -0.0046947100000000,  0.0044442300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013718000000000 ]  - [  -0.0027277700000000,  0.0046648000000000,  0.0044442300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014593000000000 ]  - [   0.0027277700000000,  0.0046648000000000,  0.0044442300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037435300000000 ]  - [   0.0003645500000000,  0.0001548900000000, -0.0029553500000000 ]  - [  -0.0003645500000000,  0.0001548900000000, -0.0029553500000000 ]  - [  -0.0003164100000000,  0.0002382600000000, -0.0029553500000000 ]  - [   0.0003164100000000,  0.0002382600000000, -0.0029553500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023429100000000 ]  - [   0.0000481400000000, -0.0003931500000000, -0.0029553500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023309300000000 ]  - [  -0.0000481400000000, -0.0003931500000000, -0.0029553500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3974771400000000 ]  - [   0.0053945600000000,  0.0000177300000000,  0.0058865900000000 ]  - [  -0.0053945600000000,  0.0000177300000000,  0.0058865900000000 ]  - [  -0.0027126300000000,  0.0046629600000000,  0.0058865900000000 ]  - [   0.0027126300000000,  0.0046629600000000,  0.0058865900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028974800000000 ]  - [   0.0026819300000000, -0.0046806900000000,  0.0058865900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028303900000000 ]  - [  -0.0026819300000000, -0.0046806900000000,  0.0058865900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022997100000000 ]  - [  -0.0003772600000000,  0.0001676200000000, -0.0014997900000000 ]  - [   0.0003772600000000,  0.0001676200000000, -0.0014997900000000 ]  - [   0.0000434600000000, -0.0004105300000000, -0.0014997900000000 ]  - [  -0.0000434600000000, -0.0004105300000000, -0.0014997900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008657600000000 ]  - [  -0.0003337900000000,  0.0002429000000000, -0.0014997900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009015300000000 ]  - [   0.0003337900000000,  0.0002429000000000, -0.0014997900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.8526885700000000 ]  - [  -0.0000079400000000, -0.0000037800000000, -0.0105488500000000 ]  - [   0.0000079400000000, -0.0000037800000000, -0.0105488500000000 ]  - [   0.0000072500000000, -0.0000049900000000, -0.0105488500000000 ]  - [  -0.0000072500000000, -0.0000049900000000, -0.0105488500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034478900000000 ]  - [  -0.0000007000000000,  0.0000087700000000, -0.0105488500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034541800000000 ]  - [   0.0000007000000000,  0.0000087700000000, -0.0105488500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026155000000000 ]  - [   0.0000012400000000,  0.0001237700000000,  0.0020018900000000 ]  - [  -0.0000012400000000,  0.0001237700000000,  0.0020018900000000 ]  - [  -0.0001078100000000, -0.0000608100000000,  0.0020018900000000 ]  - [   0.0001078100000000, -0.0000608100000000,  0.0020018900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015776500000000 ]  - [  -0.0001065700000000, -0.0000629600000000,  0.0020018900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015861700000000 ]  - [   0.0001065700000000, -0.0000629600000000,  0.0020018900000000 ]