# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9de3ee22-72ca-4d20-bf8f-91297db46041/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 RbLaO2 / R-3m (166) / materials id 7972](https://mdr.nims.go.jp/datasets/6672ce63-65ab-4656-b1c0-58cac43035bb)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     1.858173980000001,     1.072817243333332,     6.495245819999993 ] # a  - [    -1.858173979999998,     1.072817243333332,     6.495245819999993 ] # b  - [     0.000000000000002,    -2.145634486666668,     6.495245819999993 ] # c  points:  - symbol: O  # 1    coordinates: [  0.226901240000000,  0.226901240000001,  0.226901240000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.773098760000000,  0.773098750000000,  0.773098760000000 ]    mass: 15.999400  - symbol: Rb # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: La # 4    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 138.905470  reciprocal_lattice: # without 2pi  - [     0.269081369872589,     0.155354201941068,     0.051319587059652 ] # a*  - [    -0.269081369872589,     0.155354201941068,     0.051319587059653 ] # b*  - [     0.000000000000000,    -0.310708403882136,     0.051319587059652 ] # c*unit_cell:  lattice:  - [     3.716347960000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.858173980000000,     3.218451730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.485737459999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.106432090000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.439765420000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.773098760000000 ]    mass: 15.999400    reduced_to: 2  - symbol: Rb # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 85.467800    reduced_to: 7  - symbol: La # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 12    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 138.905470    reduced_to: 10supercell:  lattice:  - [    11.149043879999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.574521939999999,     9.655355190000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    19.485737459999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.226901240000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.222222223333333,  0.111111110000000,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.555555556666667,  0.111111110000000,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 12    coordinates: [  0.888888890000000,  0.111111110000000,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 13    coordinates: [  0.222222223333333,  0.444444443333333,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 14    coordinates: [  0.555555556666667,  0.444444443333333,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 15    coordinates: [  0.888888890000000,  0.444444443333333,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 16    coordinates: [  0.222222223333333,  0.777777776666667,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 17    coordinates: [  0.555555556666667,  0.777777776666667,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 18    coordinates: [  0.888888890000000,  0.777777776666667,  0.106432090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 19    coordinates: [  0.222222223333333,  0.111111110000000,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.555555556666667,  0.111111110000000,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.888888890000000,  0.111111110000000,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 22    coordinates: [  0.222222223333333,  0.444444443333333,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 23    coordinates: [  0.555555556666667,  0.444444443333333,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 24    coordinates: [  0.888888890000000,  0.444444443333333,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 25    coordinates: [  0.222222223333333,  0.777777776666667,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.555555556666667,  0.777777776666667,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.888888890000000,  0.777777776666667,  0.560234580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.111111110000000,  0.222222223333333,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 29    coordinates: [  0.444444443333333,  0.222222223333333,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 30    coordinates: [  0.777777776666667,  0.222222223333333,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 31    coordinates: [  0.111111110000000,  0.555555556666667,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 32    coordinates: [  0.444444443333333,  0.555555556666667,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 33    coordinates: [  0.777777776666667,  0.555555556666667,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 34    coordinates: [  0.111111110000000,  0.888888890000000,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.444444443333333,  0.888888890000000,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 36    coordinates: [  0.777777776666667,  0.888888890000000,  0.439765420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 37    coordinates: [  0.111111110000000,  0.222222223333333,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 38    coordinates: [  0.444444443333333,  0.222222223333333,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 39    coordinates: [  0.777777776666667,  0.222222223333333,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 40    coordinates: [  0.111111110000000,  0.555555556666667,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 41    coordinates: [  0.444444443333333,  0.555555556666667,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 42    coordinates: [  0.777777776666667,  0.555555556666667,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 43    coordinates: [  0.111111110000000,  0.888888890000000,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 44    coordinates: [  0.444444443333333,  0.888888890000000,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 45    coordinates: [  0.777777776666667,  0.888888890000000,  0.893567910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.773098760000000 ]    mass: 15.999400    reduced_to: 10  - symbol: Rb # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 64    coordinates: [  0.222222223333333,  0.111111110000000,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 65    coordinates: [  0.555555556666667,  0.111111110000000,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 66    coordinates: [  0.888888890000000,  0.111111110000000,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 67    coordinates: [  0.222222223333333,  0.444444443333333,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 68    coordinates: [  0.555555556666667,  0.444444443333333,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 69    coordinates: [  0.888888890000000,  0.444444443333333,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 70    coordinates: [  0.222222223333333,  0.777777776666667,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 71    coordinates: [  0.555555556666667,  0.777777776666667,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 72    coordinates: [  0.888888890000000,  0.777777776666667,  0.333333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 73    coordinates: [  0.111111110000000,  0.222222223333333,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 74    coordinates: [  0.444444443333333,  0.222222223333333,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 75    coordinates: [  0.777777776666667,  0.222222223333333,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 76    coordinates: [  0.111111110000000,  0.555555556666667,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 77    coordinates: [  0.444444443333333,  0.555555556666667,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 78    coordinates: [  0.777777776666667,  0.555555556666667,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 79    coordinates: [  0.111111110000000,  0.888888890000000,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 80    coordinates: [  0.444444443333333,  0.888888890000000,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 81    coordinates: [  0.777777776666667,  0.888888890000000,  0.666666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: La # 82    coordinates: [  0.111111110000000,  0.222222223333333,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 83    coordinates: [  0.444444443333333,  0.222222223333333,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 84    coordinates: [  0.777777776666667,  0.222222223333333,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 85    coordinates: [  0.111111110000000,  0.555555556666667,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 86    coordinates: [  0.444444443333333,  0.555555556666667,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 87    coordinates: [  0.777777776666667,  0.555555556666667,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 88    coordinates: [  0.111111110000000,  0.888888890000000,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 89    coordinates: [  0.444444443333333,  0.888888890000000,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 90    coordinates: [  0.777777776666667,  0.888888890000000,  0.166666670000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 92    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 93    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 94    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 95    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 96    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 97    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 98    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 99    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 100    coordinates: [  0.222222223333333,  0.111111110000000,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 101    coordinates: [  0.555555556666667,  0.111111110000000,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 102    coordinates: [  0.888888890000000,  0.111111110000000,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 103    coordinates: [  0.222222223333333,  0.444444443333333,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82  - symbol: La # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.833333330000000 ]    mass: 138.905470    reduced_to: 82born_effective_charge:- # 1 (O)  - [ -2.794761970000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.794761970000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.068087470000000 ]- # 2 (O)  - [ -2.794761970000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.794761970000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.068087470000000 ]- # 3 (Rb)  - [  1.072398720000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.072398720000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.617001890000000 ]- # 4 (La)  - [  4.517125210000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  4.517125210000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  2.519173050000000 ]dielectric_constant:  - [  4.057308670000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.057308660000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.445640390000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0532000200000000,  0.0003923300000000,  0.0004405300000000 ]  - [   0.0095092900000000,  0.0022440100000000,  0.0005580500000000 ]  - [   0.0094504600000000, -0.0022141900000000, -0.0005895400000000 ]  - [  -0.0005266300000000, -0.0035738800000000,  0.0009547600000000 ]  - [  -0.0005833500000000,  0.0035535900000000, -0.0010082400000000 ]  - [   0.0017305300000000,  0.0000007200000000, -0.0000203000000000 ]  - [  -0.0005625900000000, -0.0080423300000000,  0.0015480300000000 ]  - [   0.0017298800000000, -0.0000101400000000, -0.0000198900000000 ]  - [  -0.0005470300000000,  0.0080022200000000, -0.0015643700000000 ]  - [   0.0001118000000000,  0.0075734700000000, -0.0054562100000000 ]  - [   0.0026449600000000,  0.0000061500000000,  0.0000244600000000 ]  - [   0.0001655700000000, -0.0074906600000000,  0.0054642200000000 ]  - [   0.0011518200000000, -0.0000511800000000,  0.0000476800000000 ]  - [  -0.0002500100000000,  0.0016700700000000, -0.0000143000000000 ]  - [  -0.0002431100000000, -0.0016696200000000,  0.0000659300000000 ]  - [   0.0108215700000000, -0.0055851300000000, -0.0037727100000000 ]  - [   0.0107603100000000,  0.0055441800000000,  0.0038004800000000 ]  - [  -0.0129081400000000,  0.0000025700000000,  0.0000349700000000 ]  - [  -0.0001691200000000,  0.0000552600000000,  0.0000721500000000 ]  - [   0.0003480100000000,  0.0000005400000000, -0.0000216700000000 ]  - [  -0.0001684000000000, -0.0000569700000000, -0.0001153300000000 ]  - [  -0.0000704900000000, -0.0000005600000000, -0.0000206800000000 ]  - [   0.0000482300000000,  0.0001742600000000, -0.0000624200000000 ]  - [   0.0000462300000000, -0.0001730000000000,  0.0000191700000000 ]  - [   0.0001346200000000, -0.0001188800000000,  0.0000875200000000 ]  - [   0.0001371300000000,  0.0001194600000000, -0.0001308500000000 ]  - [  -0.0002661900000000, -0.0000000100000000, -0.0000211200000000 ]  - [  -0.0015077900000000, -0.0000014000000000,  0.0000197900000000 ]  - [   0.0010694500000000,  0.0006674100000000,  0.0013050000000000 ]  - [   0.0010704700000000, -0.0006654600000000, -0.0012617000000000 ]  - [   0.0000930200000000, -0.0003535400000000,  0.0002943800000000 ]  - [   0.0000949500000000,  0.0003523500000000, -0.0002505200000000 ]  - [  -0.0000845400000000,  0.0000056900000000,  0.0000135800000000 ]  - [  -0.0003475000000000, -0.0006736800000000,  0.0013949700000000 ]  - [   0.0007055900000000, -0.0000004100000000,  0.0000238100000000 ]  - [  -0.0003387600000000,  0.0006713000000000, -0.0013612700000000 ]  - [  -0.0002662800000000,  0.0000004900000000, -0.0000262600000000 ]  - [   0.0001357000000000,  0.0001195100000000, -0.0003864200000000 ]  - [   0.0001366700000000, -0.0001197800000000,  0.0003344500000000 ]  - [   0.0000474100000000, -0.0001745200000000,  0.0000966400000000 ]  - [   0.0000471600000000,  0.0001730000000000, -0.0001511800000000 ]  - [  -0.0000704800000000, -0.0000001800000000, -0.0000272100000000 ]  - [  -0.0001688600000000, -0.0000555700000000, -0.0003014500000000 ]  - [   0.0003487700000000,  0.0000004400000000, -0.0000276400000000 ]  - [  -0.0001694800000000,  0.0000567600000000,  0.0002469400000000 ]  - [  -0.0000936600000000,  0.0000002000000000,  0.0000219800000000 ]  - [   0.0000477700000000, -0.0000184800000000,  0.0000085200000000 ]  - [   0.0000469900000000,  0.0000192800000000,  0.0000347000000000 ]  - [  -0.0000393400000000, -0.0000306000000000,  0.0000569800000000 ]  - [  -0.0000391600000000,  0.0000311500000000, -0.0000140500000000 ]  - [   0.0000798300000000,  0.0000004200000000,  0.0000208500000000 ]  - [  -0.0000066900000000, -0.0000509900000000,  0.0000450800000000 ]  - [   0.0000140200000000, -0.0000001500000000,  0.0000213600000000 ]  - [  -0.0000060900000000,  0.0000493700000000, -0.0000010700000000 ]  - [   0.0010437700000000, -0.0000023900000000, -0.0000012700000000 ]  - [  -0.0005375700000000, -0.0001330900000000,  0.0009834400000000 ]  - [  -0.0005363500000000,  0.0001301700000000, -0.0009768400000000 ]  - [   0.0001192400000000,  0.0003522600000000, -0.0003633100000000 ]  - [   0.0001223200000000, -0.0003520000000000,  0.0003595900000000 ]  - [  -0.0002642700000000, -0.0000002500000000,  0.0000008300000000 ]  - [   0.0002108200000000,  0.0004615700000000,  0.0006219700000000 ]  - [  -0.0003717300000000,  0.0000016000000000,  0.0000004100000000 ]  - [   0.0002109500000000, -0.0004571200000000, -0.0006153100000000 ]  - [   0.0020461200000000, -0.0000901700000000, -0.0013820700000000 ]  - [  -0.0012533700000000, -0.0000017400000000, -0.0000045600000000 ]  - [   0.0019713900000000,  0.0001293300000000,  0.0014505500000000 ]  - [   0.0002849900000000,  0.0000031900000000,  0.0000016000000000 ]  - [  -0.0001407900000000, -0.0006432600000000,  0.0001507600000000 ]  - [  -0.0001403100000000,  0.0006414700000000, -0.0001534600000000 ]  - [  -0.0010340900000000,  0.0007644100000000, -0.0010509900000000 ]  - [  -0.0010337600000000, -0.0007587900000000,  0.0010396000000000 ]  - [   0.0021987400000000, -0.0000004100000000, -0.0000002400000000 ]  - [   0.0000186700000000, -0.0000000900000000,  0.0000016200000000 ]  - [  -0.0000092700000000, -0.0000104800000000, -0.0000117600000000 ]  - [  -0.0000093500000000,  0.0000102500000000,  0.0000150800000000 ]  - [  -0.0000042500000000,  0.0000124800000000, -0.0000164700000000 ]  - [  -0.0000040000000000, -0.0000120900000000,  0.0000199900000000 ]  - [   0.0000087400000000,  0.0000001400000000,  0.0000019900000000 ]  - [   0.0000131500000000,  0.0000030800000000, -0.0000285400000000 ]  - [  -0.0000253100000000,  0.0000000400000000,  0.0000015200000000 ]  - [   0.0000129400000000, -0.0000032300000000,  0.0000320000000000 ]  - [   0.0151218200000000,  0.0000152700000000, -0.0000213800000000 ]  - [  -0.0045549200000000, -0.0048805100000000,  0.0009876800000000 ]  - [  -0.0045677700000000,  0.0048448100000000, -0.0009816800000000 ]  - [  -0.0018810400000000,  0.0046933800000000, -0.0001848700000000 ]  - [  -0.0018583000000000, -0.0046478500000000,  0.0001871700000000 ]  - [   0.0038618600000000,  0.0000024700000000, -0.0000038600000000 ]  - [   0.0107624200000000,  0.0025008000000000, -0.0019824500000000 ]  - [  -0.0099590900000000,  0.0000038300000000,  0.0000039100000000 ]  - [   0.0100726400000000, -0.0029302500000000,  0.0014751900000000 ]  - [   0.0012342100000000,  0.0000003800000000,  0.0000051300000000 ]  - [  -0.0006297000000000,  0.0001940500000000, -0.0007799100000000 ]  - [  -0.0006345500000000, -0.0001948100000000,  0.0007797400000000 ]  - [   0.0003578700000000,  0.0005893700000000,  0.0004982400000000 ]  - [   0.0003579900000000, -0.0005887000000000, -0.0004954200000000 ]  - [  -0.0006936100000000, -0.0000024000000000,  0.0000027800000000 ]  - [   0.0002074600000000,  0.0004650600000000, -0.0002801900000000 ]  - [  -0.0003931800000000,  0.0000002900000000,  0.0000000900000000 ]  - [   0.0002024500000000, -0.0004654400000000,  0.0002883900000000 ]  - [   0.0001547600000000, -0.0000153800000000,  0.0002088600000000 ]  - [  -0.0003055300000000, -0.0000000600000000, -0.0000002200000000 ]  - [   0.0001520400000000,  0.0000139800000000, -0.0002107900000000 ]  - [   0.0001444000000000, -0.0000001800000000, -0.0000019300000000 ]  - [  -0.0000701000000000, -0.0001349200000000,  0.0000825900000000 ]  - [  -0.0000720500000000,  0.0001343900000000, -0.0000843800000000 ]  - [  -0.0000909100000000,  0.0001372100000000,  0.0001203800000000 ]  - [  -0.0000897100000000, -0.0001345300000000, -0.0001204700000000 ]  - [   0.0001786000000000, -0.0000000600000000,  0.0000006700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0532498800000000 ]  - [  -0.0005832300000000, -0.0014693600000000, -0.0049112800000000 ]  - [   0.0005832300000000, -0.0014693600000000, -0.0049112800000000 ]  - [   0.0015641100000000,  0.0002295900000000, -0.0049112800000000 ]  - [  -0.0015641100000000,  0.0002295900000000, -0.0049112800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020742300000000 ]  - [   0.0009808900000000,  0.0012397700000000, -0.0049112800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020771200000000 ]  - [  -0.0009808900000000,  0.0012397700000000, -0.0049112800000000 ]  - [  -0.0054322300000000, -0.0031363000000000,  0.0030165000000000 ]  - [   0.0000000000000000, -0.0000477800000000, -0.0003432100000000 ]  - [   0.0054322300000000, -0.0031363000000000,  0.0030165000000000 ]  - [   0.0000000000000000, -0.0043849800000000,  0.0017038000000000 ]  - [  -0.0000413800000000,  0.0000238900000000, -0.0003432100000000 ]  - [   0.0000413800000000,  0.0000238900000000, -0.0003432100000000 ]  - [  -0.0037975000000000,  0.0021924900000000,  0.0017038000000000 ]  - [   0.0037975000000000,  0.0021924900000000,  0.0017038000000000 ]  - [   0.0000000000000000,  0.0062725900000000,  0.0030165000000000 ]  - [   0.0002749400000000,  0.0001587400000000,  0.0011572900000000 ]  - [   0.0000000000000000, -0.0001431300000000,  0.0010813400000000 ]  - [  -0.0002749400000000,  0.0001587400000000,  0.0011572900000000 ]  - [   0.0000000000000000,  0.0004168100000000,  0.0009122200000000 ]  - [  -0.0001239600000000,  0.0000715700000000,  0.0010813400000000 ]  - [   0.0001239600000000,  0.0000715700000000,  0.0010813400000000 ]  - [   0.0003609600000000, -0.0002084000000000,  0.0009122200000000 ]  - [  -0.0003609600000000, -0.0002084000000000,  0.0009122200000000 ]  - [   0.0000000000000000, -0.0003174700000000,  0.0011572900000000 ]  - [   0.0000000000000000,  0.0015971700000000,  0.0025211500000000 ]  - [   0.0012864200000000,  0.0007427200000000,  0.0013503200000000 ]  - [  -0.0012864200000000,  0.0007427200000000,  0.0013503200000000 ]  - [   0.0002740100000000,  0.0001582000000000, -0.0005358000000000 ]  - [  -0.0002740100000000,  0.0001582000000000, -0.0005358000000000 ]  - [   0.0000000000000000, -0.0014854300000000,  0.0013503200000000 ]  - [   0.0013831900000000, -0.0007985900000000,  0.0025211500000000 ]  - [   0.0000000000000000, -0.0003164000000000, -0.0005358000000000 ]  - [  -0.0013831900000000, -0.0007985900000000,  0.0025211500000000 ]  - [   0.0000000000000000, -0.0001085000000000,  0.0011518100000000 ]  - [  -0.0001079600000000, -0.0000623300000000,  0.0009077400000000 ]  - [   0.0001079600000000, -0.0000623300000000,  0.0009077400000000 ]  - [   0.0000416800000000,  0.0000240600000000,  0.0010766500000000 ]  - [  -0.0000416800000000,  0.0000240600000000,  0.0010766500000000 ]  - [   0.0000000000000000,  0.0001246600000000,  0.0009077400000000 ]  - [  -0.0000939600000000,  0.0000542500000000,  0.0011518100000000 ]  - [   0.0000000000000000, -0.0000481200000000,  0.0010766500000000 ]  - [   0.0000939600000000,  0.0000542500000000,  0.0011518100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011053700000000 ]  - [  -0.0000130900000000, -0.0000332700000000,  0.0010965600000000 ]  - [   0.0000130900000000, -0.0000332700000000,  0.0010965600000000 ]  - [   0.0000353600000000,  0.0000053000000000,  0.0010965600000000 ]  - [  -0.0000353600000000,  0.0000053000000000,  0.0010965600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010939500000000 ]  - [   0.0000222700000000,  0.0000279700000000,  0.0010965600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010938400000000 ]  - [  -0.0000222700000000,  0.0000279700000000,  0.0010965600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021189700000000 ]  - [   0.0002934100000000,  0.0000787500000000, -0.0008104900000000 ]  - [  -0.0002934100000000,  0.0000787500000000, -0.0008104900000000 ]  - [  -0.0002149000000000,  0.0002147200000000, -0.0008104900000000 ]  - [   0.0002149000000000,  0.0002147200000000, -0.0008104900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003884200000000 ]  - [   0.0000785100000000, -0.0002934700000000, -0.0008104900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005412700000000 ]  - [  -0.0000785100000000, -0.0002934700000000, -0.0008104900000000 ]  - [  -0.0004509800000000, -0.0002603700000000,  0.0017005700000000 ]  - [   0.0000000000000000,  0.0000306400000000,  0.0012933900000000 ]  - [   0.0004509800000000, -0.0002603700000000,  0.0017005700000000 ]  - [   0.0000000000000000, -0.0011849900000000,  0.0011178300000000 ]  - [   0.0000265300000000, -0.0000153200000000,  0.0012933900000000 ]  - [  -0.0000265300000000, -0.0000153200000000,  0.0012933900000000 ]  - [  -0.0010262300000000,  0.0005924900000000,  0.0011178300000000 ]  - [   0.0010262300000000,  0.0005924900000000,  0.0011178300000000 ]  - [   0.0000000000000000,  0.0005207400000000,  0.0017005700000000 ]  - [   0.0000000000000000, -0.0000251500000000, -0.0008672100000000 ]  - [   0.0000009600000000,  0.0000005600000000, -0.0008504200000000 ]  - [  -0.0000009600000000,  0.0000005600000000, -0.0008504200000000 ]  - [  -0.0000227700000000, -0.0000131500000000, -0.0007992600000000 ]  - [   0.0000227700000000, -0.0000131500000000, -0.0007992600000000 ]  - [   0.0000000000000000, -0.0000011100000000, -0.0008504200000000 ]  - [  -0.0000217800000000,  0.0000125700000000, -0.0008672100000000 ]  - [   0.0000000000000000,  0.0000262900000000, -0.0007992600000000 ]  - [   0.0000217800000000,  0.0000125700000000, -0.0008672100000000 ]  - [   0.0000000000000000, -0.0036046700000000,  0.0153692600000000 ]  - [   0.0016907900000000,  0.0009761800000000,  0.0028717800000000 ]  - [  -0.0016907900000000,  0.0009761800000000,  0.0028717800000000 ]  - [  -0.0006756200000000, -0.0003900700000000,  0.0023192000000000 ]  - [   0.0006756200000000, -0.0003900700000000,  0.0023192000000000 ]  - [   0.0000000000000000, -0.0019523600000000,  0.0028717800000000 ]  - [  -0.0031217400000000,  0.0018023400000000,  0.0153692600000000 ]  - [   0.0000000000000000,  0.0007801300000000,  0.0023192000000000 ]  - [   0.0031217400000000,  0.0018023400000000,  0.0153692600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031619200000000 ]  - [  -0.0012040900000000,  0.0003804400000000, -0.0012725100000000 ]  - [   0.0012040900000000,  0.0003804400000000, -0.0012725100000000 ]  - [   0.0002725800000000, -0.0012329900000000, -0.0012725100000000 ]  - [  -0.0002725800000000, -0.0012329900000000, -0.0012725100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008184900000000 ]  - [  -0.0009315100000000,  0.0008525500000000, -0.0012725100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001723400000000 ]  - [   0.0009315100000000,  0.0008525500000000, -0.0012725100000000 ]  - [   0.0001008400000000,  0.0000582200000000, -0.0013625700000000 ]  - [   0.0000000000000000,  0.0001031900000000, -0.0012314100000000 ]  - [  -0.0001008400000000,  0.0000582200000000, -0.0013625700000000 ]  - [   0.0000000000000000,  0.0000017400000000, -0.0013289900000000 ]  - [   0.0000893700000000, -0.0000516000000000, -0.0012314100000000 ]  - [  -0.0000893700000000, -0.0000516000000000, -0.0012314100000000 ]  - [   0.0000015000000000, -0.0000008700000000, -0.0013289900000000 ]  - [  -0.0000015000000000, -0.0000008700000000, -0.0013289900000000 ]  - [   0.0000000000000000, -0.0001164400000000, -0.0013625700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0534153900000000 ]  - [   0.0005654500000000,  0.0014603800000000,  0.0048494700000000 ]  - [  -0.0005654500000000,  0.0014603800000000,  0.0048494700000000 ]  - [  -0.0015474500000000, -0.0002404900000000,  0.0048494700000000 ]  - [   0.0015474500000000, -0.0002404900000000,  0.0048494700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020201100000000 ]  - [  -0.0009820000000000, -0.0012198900000000,  0.0048494700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020179600000000 ]  - [   0.0009820000000000, -0.0012198900000000,  0.0048494700000000 ]  - [   0.0054887600000000,  0.0031689400000000, -0.0029862100000000 ]  - [   0.0000000000000000,  0.0000434300000000,  0.0003985600000000 ]  - [  -0.0054887600000000,  0.0031689400000000, -0.0029862100000000 ]  - [   0.0000000000000000,  0.0043601500000000, -0.0016475100000000 ]  - [   0.0000376100000000, -0.0000217200000000,  0.0003985600000000 ]  - [  -0.0000376100000000, -0.0000217200000000,  0.0003985600000000 ]  - [   0.0037760000000000, -0.0021800800000000, -0.0016475100000000 ]  - [  -0.0037760000000000, -0.0021800800000000, -0.0016475100000000 ]  - [   0.0000000000000000, -0.0063378800000000, -0.0029862100000000 ]  - [  -0.0002731200000000, -0.0001576900000000, -0.0011941900000000 ]  - [   0.0000000000000000,  0.0001433100000000, -0.0011189700000000 ]  - [   0.0002731200000000, -0.0001576900000000, -0.0011941900000000 ]  - [   0.0000000000000000, -0.0004147100000000, -0.0009507000000000 ]  - [   0.0001241100000000, -0.0000716500000000, -0.0011189700000000 ]  - [  -0.0001241100000000, -0.0000716500000000, -0.0011189700000000 ]  - [  -0.0003591500000000,  0.0002073500000000, -0.0009507000000000 ]  - [   0.0003591500000000,  0.0002073500000000, -0.0009507000000000 ]  - [   0.0000000000000000,  0.0003153700000000, -0.0011941900000000 ]  - [   0.0000000000000000, -0.0015862300000000, -0.0024660500000000 ]  - [  -0.0012798300000000, -0.0007389100000000, -0.0013012300000000 ]  - [   0.0012798300000000, -0.0007389100000000, -0.0013012300000000 ]  - [  -0.0002718500000000, -0.0001569600000000,  0.0005735600000000 ]  - [   0.0002718500000000, -0.0001569600000000,  0.0005735600000000 ]  - [   0.0000000000000000,  0.0014778200000000, -0.0013012300000000 ]  - [  -0.0013737200000000,  0.0007931200000000, -0.0024660500000000 ]  - [   0.0000000000000000,  0.0003139100000000,  0.0005735600000000 ]  - [   0.0013737200000000,  0.0007931200000000, -0.0024660500000000 ]  - [   0.0000000000000000,  0.0001090000000000, -0.0012006200000000 ]  - [   0.0001080600000000,  0.0000623900000000, -0.0009556900000000 ]  - [  -0.0001080600000000,  0.0000623900000000, -0.0009556900000000 ]  - [  -0.0000407500000000, -0.0000235200000000, -0.0011242200000000 ]  - [   0.0000407500000000, -0.0000235200000000, -0.0011242200000000 ]  - [   0.0000000000000000, -0.0001247800000000, -0.0009556900000000 ]  - [   0.0000944000000000, -0.0000545000000000, -0.0012006200000000 ]  - [   0.0000000000000000,  0.0000470500000000, -0.0011242200000000 ]  - [  -0.0000944000000000, -0.0000545000000000, -0.0012006200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010538500000000 ]  - [   0.0000134700000000,  0.0000332600000000, -0.0010463800000000 ]  - [  -0.0000134700000000,  0.0000332600000000, -0.0010463800000000 ]  - [  -0.0000355400000000, -0.0000049600000000, -0.0010463800000000 ]  - [   0.0000355400000000, -0.0000049600000000, -0.0010463800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010437700000000 ]  - [  -0.0000220700000000, -0.0000283000000000, -0.0010463800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010440300000000 ]  - [   0.0000220700000000, -0.0000283000000000, -0.0010463800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021237000000000 ]  - [  -0.0002944100000000, -0.0000772500000000,  0.0008068800000000 ]  - [   0.0002944100000000, -0.0000772500000000,  0.0008068800000000 ]  - [   0.0002141100000000, -0.0002163400000000,  0.0008068800000000 ]  - [  -0.0002141100000000, -0.0002163400000000,  0.0008068800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003854900000000 ]  - [  -0.0000803000000000,  0.0002935900000000,  0.0008068800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005340900000000 ]  - [   0.0000803000000000,  0.0002935900000000,  0.0008068800000000 ]  - [   0.0005363800000000,  0.0003096800000000, -0.0016068100000000 ]  - [   0.0000000000000000, -0.0000293300000000, -0.0012867900000000 ]  - [  -0.0005363800000000,  0.0003096800000000, -0.0016068100000000 ]  - [   0.0000000000000000,  0.0011791500000000, -0.0011107400000000 ]  - [  -0.0000254000000000,  0.0000146600000000, -0.0012867900000000 ]  - [   0.0000254000000000,  0.0000146600000000, -0.0012867900000000 ]  - [   0.0010211700000000, -0.0005895700000000, -0.0011107400000000 ]  - [  -0.0010211700000000, -0.0005895700000000, -0.0011107400000000 ]  - [   0.0000000000000000, -0.0006193600000000, -0.0016068100000000 ]  - [   0.0000000000000000,  0.0000248700000000,  0.0008644000000000 ]  - [  -0.0000009500000000, -0.0000005500000000,  0.0008475800000000 ]  - [   0.0000009500000000, -0.0000005500000000,  0.0008475800000000 ]  - [   0.0000226000000000,  0.0000130500000000,  0.0007965900000000 ]  - [  -0.0000226000000000,  0.0000130500000000,  0.0007965900000000 ]  - [   0.0000000000000000,  0.0000010900000000,  0.0008475800000000 ]  - [   0.0000215300000000, -0.0000124300000000,  0.0008644000000000 ]  - [   0.0000000000000000, -0.0000260900000000,  0.0007965900000000 ]  - [  -0.0000215300000000, -0.0000124300000000,  0.0008644000000000 ]  - [   0.0000000000000000,  0.0039656600000000, -0.0154984600000000 ]  - [  -0.0016790500000000, -0.0009694000000000, -0.0028730300000000 ]  - [   0.0016790500000000, -0.0009694000000000, -0.0028730300000000 ]  - [   0.0006718100000000,  0.0003878700000000, -0.0023117200000000 ]  - [  -0.0006718100000000,  0.0003878700000000, -0.0023117200000000 ]  - [   0.0000000000000000,  0.0019388100000000, -0.0028730300000000 ]  - [   0.0034343600000000, -0.0019828300000000, -0.0154984600000000 ]  - [   0.0000000000000000, -0.0007757400000000, -0.0023117200000000 ]  - [  -0.0034343600000000, -0.0019828300000000, -0.0154984600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031431300000000 ]  - [   0.0011969600000000, -0.0003774100000000,  0.0012691900000000 ]  - [  -0.0011969600000000, -0.0003774100000000,  0.0012691900000000 ]  - [  -0.0002716300000000,  0.0012253100000000,  0.0012691900000000 ]  - [   0.0002716300000000,  0.0012253100000000,  0.0012691900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008205400000000 ]  - [   0.0009253300000000, -0.0008479000000000,  0.0012691900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001762200000000 ]  - [  -0.0009253300000000, -0.0008479000000000,  0.0012691900000000 ]  - [  -0.0000970300000000, -0.0000560200000000,  0.0013560300000000 ]  - [   0.0000000000000000, -0.0001018600000000,  0.0012212900000000 ]  - [   0.0000970300000000, -0.0000560200000000,  0.0013560300000000 ]  - [   0.0000000000000000, -0.0000051800000000,  0.0013182900000000 ]  - [  -0.0000882100000000,  0.0000509300000000,  0.0012212900000000 ]  - [   0.0000882100000000,  0.0000509300000000,  0.0012212900000000 ]  - [  -0.0000044900000000,  0.0000025900000000,  0.0013182900000000 ]  - [   0.0000044900000000,  0.0000025900000000,  0.0013182900000000 ]  - [   0.0000000000000000,  0.0001120500000000,  0.0013560300000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010438200000000, -0.0000010800000000, -0.0000212800000000 ]  - [  -0.0005355700000000, -0.0000287600000000, -0.0003167300000000 ]  - [  -0.0005382700000000,  0.0000262200000000,  0.0002709700000000 ]  - [   0.0002097400000000,  0.0003015500000000,  0.0000569600000000 ]  - [   0.0002120800000000, -0.0002986100000000, -0.0001017900000000 ]  - [  -0.0003723200000000,  0.0000002200000000, -0.0000219200000000 ]  - [   0.0001216400000000,  0.0005115300000000, -0.0002373200000000 ]  - [  -0.0002644600000000,  0.0000011000000000, -0.0000232100000000 ]  - [   0.0001195900000000, -0.0005111200000000,  0.0001923300000000 ]  - [   0.0020464300000000, -0.0000838700000000, -0.0004212100000000 ]  - [  -0.0012536000000000, -0.0000030400000000,  0.0000191300000000 ]  - [   0.0019709100000000,  0.0001353900000000,  0.0005677300000000 ]  - [   0.0002855600000000,  0.0000029900000000,  0.0000253600000000 ]  - [  -0.0001410500000000, -0.0006429600000000,  0.0000508800000000 ]  - [  -0.0001407200000000,  0.0006427900000000, -0.0000000100000000 ]  - [  -0.0010349000000000,  0.0007654000000000, -0.0010030100000000 ]  - [  -0.0010332200000000, -0.0007576600000000,  0.0010443100000000 ]  - [   0.0021994000000000,  0.0000011700000000,  0.0000251300000000 ]  - [   0.0000133900000000, -0.0000030200000000,  0.0000014600000000 ]  - [  -0.0000260000000000,  0.0000000500000000, -0.0000210900000000 ]  - [   0.0000127300000000,  0.0000026400000000, -0.0000420600000000 ]  - [   0.0000083900000000,  0.0000003000000000, -0.0000204200000000 ]  - [  -0.0000042100000000, -0.0000129400000000,  0.0000021200000000 ]  - [  -0.0000039900000000,  0.0000125300000000, -0.0000435500000000 ]  - [  -0.0000089800000000,  0.0000098600000000, -0.0000214000000000 ]  - [  -0.0000092000000000, -0.0000102900000000, -0.0000196600000000 ]  - [   0.0000181600000000, -0.0000001100000000, -0.0000207500000000 ]  - [   0.0000181600000000,  0.0000001100000000,  0.0000207500000000 ]  - [  -0.0000089800000000, -0.0000098600000000,  0.0000214000000000 ]  - [  -0.0000092000000000,  0.0000102900000000,  0.0000196600000000 ]  - [  -0.0000042100000000,  0.0000129400000000, -0.0000021200000000 ]  - [  -0.0000039900000000, -0.0000125300000000,  0.0000435500000000 ]  - [   0.0000083900000000, -0.0000003000000000,  0.0000204200000000 ]  - [   0.0000133900000000,  0.0000030200000000, -0.0000014600000000 ]  - [  -0.0000260000000000, -0.0000000500000000,  0.0000210900000000 ]  - [   0.0000127300000000, -0.0000026400000000,  0.0000420600000000 ]  - [   0.0021994000000000, -0.0000011700000000, -0.0000251300000000 ]  - [  -0.0010349000000000, -0.0007654000000000,  0.0010030100000000 ]  - [  -0.0010332200000000,  0.0007576600000000, -0.0010443100000000 ]  - [  -0.0001410500000000,  0.0006429600000000, -0.0000508800000000 ]  - [  -0.0001407200000000, -0.0006427900000000,  0.0000000100000000 ]  - [   0.0002855600000000, -0.0000029900000000, -0.0000253600000000 ]  - [   0.0020464300000000,  0.0000838700000000,  0.0004212100000000 ]  - [  -0.0012536000000000,  0.0000030400000000, -0.0000191300000000 ]  - [   0.0019709100000000, -0.0001353900000000, -0.0005677300000000 ]  - [   0.0010438200000000,  0.0000010800000000,  0.0000212800000000 ]  - [  -0.0005355700000000,  0.0000287600000000,  0.0003167300000000 ]  - [  -0.0005382700000000, -0.0000262200000000, -0.0002709700000000 ]  - [   0.0001195900000000,  0.0005111200000000, -0.0001923300000000 ]  - [   0.0001216400000000, -0.0005115300000000,  0.0002373200000000 ]  - [  -0.0002644600000000, -0.0000011000000000,  0.0000232100000000 ]  - [   0.0002120800000000,  0.0002986100000000,  0.0001017900000000 ]  - [  -0.0003723200000000, -0.0000002200000000,  0.0000219200000000 ]  - [   0.0002097400000000, -0.0003015500000000, -0.0000569600000000 ]  - [  -0.0219361100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0051728300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0051004000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004726200000000, -0.0026896200000000,  0.0000840800000000 ]  - [   0.0004641000000000,  0.0027001500000000, -0.0000848300000000 ]  - [   0.0003614000000000,  0.0000017700000000,  0.0000003300000000 ]  - [   0.0004641000000000, -0.0027001500000000,  0.0000848300000000 ]  - [   0.0003614000000000, -0.0000017700000000, -0.0000003300000000 ]  - [   0.0004726200000000,  0.0026896200000000, -0.0000840800000000 ]  - [  -0.0000252900000000,  0.0000173800000000,  0.0000762900000000 ]  - [   0.0000541500000000,  0.0000000800000000, -0.0000005700000000 ]  - [  -0.0000253100000000, -0.0000172800000000, -0.0000784100000000 ]  - [   0.0000027500000000, -0.0000002600000000, -0.0000008200000000 ]  - [   0.0000005100000000,  0.0000310700000000, -0.0000021200000000 ]  - [   0.0000006000000000, -0.0000309800000000,  0.0000005600000000 ]  - [   0.0000284600000000, -0.0000148400000000,  0.0000649400000000 ]  - [   0.0000286700000000,  0.0000148300000000, -0.0000659900000000 ]  - [  -0.0000558000000000,  0.0000000400000000, -0.0000009400000000 ]  - [  -0.0000558000000000, -0.0000000400000000,  0.0000009400000000 ]  - [   0.0000284600000000,  0.0000148400000000, -0.0000649400000000 ]  - [   0.0000286700000000, -0.0000148300000000,  0.0000659900000000 ]  - [   0.0000005100000000, -0.0000310700000000,  0.0000021200000000 ]  - [   0.0000006000000000,  0.0000309800000000, -0.0000005600000000 ]  - [   0.0000027500000000,  0.0000002600000000,  0.0000008200000000 ]  - [  -0.0000252900000000, -0.0000173800000000, -0.0000762900000000 ]  - [   0.0000541500000000, -0.0000000800000000,  0.0000005700000000 ]  - [  -0.0000253100000000,  0.0000172800000000,  0.0000784100000000 ]  - [  -0.0031739500000000, -0.0000106700000000, -0.0000154300000000 ]  - [   0.0013619300000000,  0.0009590400000000,  0.0008349500000000 ]  - [   0.0013669300000000, -0.0009583300000000, -0.0008270400000000 ]  - [   0.0001519900000000, -0.0007885100000000,  0.0001509800000000 ]  - [   0.0001495700000000,  0.0007857100000000, -0.0001476900000000 ]  - [  -0.0002933700000000,  0.0000037300000000,  0.0000011300000000 ]  - [   0.0002653300000000, -0.0019926800000000,  0.0043314600000000 ]  - [   0.0015159600000000, -0.0000014400000000,  0.0000079400000000 ]  - [   0.0002857500000000,  0.0019924300000000, -0.0043233000000000 ]  - [  -0.0000332600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000135600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000206000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000069200000000, -0.0000130800000000,  0.0000139000000000 ]  - [  -0.0000078100000000,  0.0000141500000000, -0.0000113000000000 ]  - [   0.0000133500000000,  0.0000026100000000, -0.0000032800000000 ]  - [  -0.0000078100000000, -0.0000141500000000,  0.0000113000000000 ]  - [   0.0000133500000000, -0.0000026100000000,  0.0000032800000000 ]  - [  -0.0000069200000000,  0.0000130800000000, -0.0000139000000000 ]  - [   0.0002653300000000,  0.0019926800000000, -0.0043314600000000 ]  - [   0.0015159600000000,  0.0000014400000000, -0.0000079400000000 ]  - [   0.0002857500000000, -0.0019924300000000,  0.0043233000000000 ]  - [  -0.0002933700000000, -0.0000037300000000, -0.0000011300000000 ]  - [   0.0001519900000000,  0.0007885100000000, -0.0001509800000000 ]  - [   0.0001495700000000, -0.0007857100000000,  0.0001476900000000 ]  - [   0.0013619300000000, -0.0009590400000000, -0.0008349500000000 ]  - [   0.0013669300000000,  0.0009583300000000,  0.0008270400000000 ]  - [  -0.0031739500000000,  0.0000106700000000,  0.0000154300000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0021549400000000 ]  - [  -0.0009835400000000, -0.0001509500000000, -0.0008312000000000 ]  - [   0.0009835400000000, -0.0001509500000000, -0.0008312000000000 ]  - [   0.0006225000000000, -0.0007763000000000, -0.0008312000000000 ]  - [  -0.0006225000000000, -0.0007763000000000, -0.0008312000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005573100000000 ]  - [  -0.0003610500000000,  0.0009272500000000, -0.0008312000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004093300000000 ]  - [   0.0003610500000000,  0.0009272500000000, -0.0008312000000000 ]  - [  -0.0013687600000000, -0.0007902500000000,  0.0017431900000000 ]  - [   0.0000000000000000,  0.0001755500000000,  0.0013188900000000 ]  - [   0.0013687600000000, -0.0007902500000000,  0.0017431900000000 ]  - [   0.0000000000000000, -0.0012090100000000,  0.0011450000000000 ]  - [   0.0001520300000000, -0.0000877800000000,  0.0013188900000000 ]  - [  -0.0001520300000000, -0.0000877800000000,  0.0013188900000000 ]  - [  -0.0010470300000000,  0.0006045000000000,  0.0011450000000000 ]  - [   0.0010470300000000,  0.0006045000000000,  0.0011450000000000 ]  - [   0.0000000000000000,  0.0015805000000000,  0.0017431900000000 ]  - [   0.0000299800000000,  0.0000173100000000, -0.0008866900000000 ]  - [   0.0000000000000000,  0.0000210200000000, -0.0008193700000000 ]  - [  -0.0000299800000000,  0.0000173100000000, -0.0008866900000000 ]  - [   0.0000000000000000,  0.0000151600000000, -0.0008701400000000 ]  - [   0.0000182000000000, -0.0000105100000000, -0.0008193700000000 ]  - [  -0.0000182000000000, -0.0000105100000000, -0.0008193700000000 ]  - [   0.0000131300000000, -0.0000075800000000, -0.0008701400000000 ]  - [  -0.0000131300000000, -0.0000075800000000, -0.0008701400000000 ]  - [   0.0000000000000000, -0.0000346200000000, -0.0008866900000000 ]  - [   0.0000000000000000, -0.0000351200000000, -0.0008446600000000 ]  - [  -0.0000136200000000, -0.0000078700000000, -0.0008275800000000 ]  - [   0.0000136200000000, -0.0000078700000000, -0.0008275800000000 ]  - [  -0.0000181000000000, -0.0000104500000000, -0.0007762200000000 ]  - [   0.0000181000000000, -0.0000104500000000, -0.0007762200000000 ]  - [   0.0000000000000000,  0.0000157300000000, -0.0008275800000000 ]  - [  -0.0000304100000000,  0.0000175600000000, -0.0008446600000000 ]  - [   0.0000000000000000,  0.0000209000000000, -0.0007762200000000 ]  - [   0.0000304100000000,  0.0000175600000000, -0.0008446600000000 ]  - [   0.0000000000000000,  0.0016901200000000,  0.0015647800000000 ]  - [   0.0010436800000000,  0.0006025700000000,  0.0010841300000000 ]  - [  -0.0010436800000000,  0.0006025700000000,  0.0010841300000000 ]  - [  -0.0001523500000000, -0.0000879600000000,  0.0012612900000000 ]  - [   0.0001523500000000, -0.0000879600000000,  0.0012612900000000 ]  - [   0.0000000000000000, -0.0012051400000000,  0.0010841300000000 ]  - [   0.0014636800000000, -0.0008450600000000,  0.0015647800000000 ]  - [   0.0000000000000000,  0.0001759200000000,  0.0012612900000000 ]  - [  -0.0014636800000000, -0.0008450600000000,  0.0015647800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020885400000000 ]  - [   0.0009765500000000, -0.0001459900000000, -0.0007858000000000 ]  - [  -0.0009765500000000, -0.0001459900000000, -0.0007858000000000 ]  - [  -0.0003618500000000,  0.0009187100000000, -0.0007858000000000 ]  - [   0.0003618500000000,  0.0009187100000000, -0.0007858000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003649100000000 ]  - [   0.0006147000000000, -0.0007727300000000, -0.0007858000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005173900000000 ]  - [  -0.0006147000000000, -0.0007727300000000, -0.0007858000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0326660300000000 ]  - [  -0.0000116900000000, -0.0000978100000000, -0.0025497600000000 ]  - [   0.0000116900000000, -0.0000978100000000, -0.0025497600000000 ]  - [   0.0000905500000000,  0.0000387800000000, -0.0025497600000000 ]  - [  -0.0000905500000000,  0.0000387800000000, -0.0025497600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011813500000000 ]  - [   0.0000788600000000,  0.0000590300000000, -0.0025497600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011824900000000 ]  - [  -0.0000788600000000,  0.0000590300000000, -0.0025497600000000 ]  - [   0.0000781400000000,  0.0000451100000000,  0.0007592600000000 ]  - [   0.0000000000000000, -0.0000014400000000,  0.0005911300000000 ]  - [  -0.0000781400000000,  0.0000451100000000,  0.0007592600000000 ]  - [   0.0000000000000000,  0.0000758900000000,  0.0005932800000000 ]  - [  -0.0000012400000000,  0.0000007200000000,  0.0005911300000000 ]  - [   0.0000012400000000,  0.0000007200000000,  0.0005911300000000 ]  - [   0.0000657300000000, -0.0000379500000000,  0.0005932800000000 ]  - [  -0.0000657300000000, -0.0000379500000000,  0.0005932800000000 ]  - [   0.0000000000000000, -0.0000902300000000,  0.0007592600000000 ]  - [   0.0000000000000000, -0.0000887400000000,  0.0007599100000000 ]  - [  -0.0000652800000000, -0.0000376900000000,  0.0005951500000000 ]  - [   0.0000652800000000, -0.0000376900000000,  0.0005951500000000 ]  - [   0.0000013100000000,  0.0000007600000000,  0.0005931600000000 ]  - [  -0.0000013100000000,  0.0000007600000000,  0.0005931600000000 ]  - [   0.0000000000000000,  0.0000753700000000,  0.0005951500000000 ]  - [  -0.0000768500000000,  0.0000443700000000,  0.0007599100000000 ]  - [   0.0000000000000000, -0.0000015100000000,  0.0005931600000000 ]  - [   0.0000768500000000,  0.0000443700000000,  0.0007599100000000 ]  - [   0.0000000000000000,  0.0065479100000000,  0.0061906100000000 ]  - [   0.0018626000000000,  0.0010753700000000,  0.0002033500000000 ]  - [  -0.0018626000000000,  0.0010753700000000,  0.0002033500000000 ]  - [   0.0001729000000000,  0.0000998300000000, -0.0003741200000000 ]  - [  -0.0001729000000000,  0.0000998300000000, -0.0003741200000000 ]  - [   0.0000000000000000, -0.0021507400000000,  0.0002033500000000 ]  - [   0.0056706600000000, -0.0032739600000000,  0.0061906100000000 ]  - [   0.0000000000000000, -0.0001996500000000, -0.0003741200000000 ]  - [  -0.0056706600000000, -0.0032739600000000,  0.0061906100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010942600000000 ]  - [  -0.0000002900000000, -0.0000312300000000,  0.0010177900000000 ]  - [   0.0000002900000000, -0.0000312300000000,  0.0010177900000000 ]  - [   0.0000271900000000,  0.0000153600000000,  0.0010177900000000 ]  - [  -0.0000271900000000,  0.0000153600000000,  0.0010177900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009817800000000 ]  - [   0.0000269000000000,  0.0000158700000000,  0.0010177900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009820300000000 ]  - [  -0.0000269000000000,  0.0000158700000000,  0.0010177900000000 ]  - [  -0.0056028100000000, -0.0032347800000000,  0.0061421000000000 ]  - [   0.0000000000000000, -0.0002015800000000, -0.0003710500000000 ]  - [   0.0056028100000000, -0.0032347800000000,  0.0061421000000000 ]  - [   0.0000000000000000, -0.0021502200000000,  0.0002106000000000 ]  - [  -0.0001745700000000,  0.0001007900000000, -0.0003710500000000 ]  - [   0.0001745700000000,  0.0001007900000000, -0.0003710500000000 ]  - [  -0.0018621500000000,  0.0010751100000000,  0.0002106000000000 ]  - [   0.0018621500000000,  0.0010751100000000,  0.0002106000000000 ]  - [   0.0000000000000000,  0.0064695700000000,  0.0061421000000000 ]- atom:   82  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0151216200000000, -0.0000447800000000, -0.0000255900000000 ]  - [  -0.0045676500000000,  0.0048895500000000, -0.0017142800000000 ]  - [  -0.0045592700000000, -0.0048377400000000,  0.0016478400000000 ]  - [   0.0099971500000000,  0.0029632300000000, -0.0030197700000000 ]  - [   0.0108379800000000, -0.0024655700000000,  0.0035414000000000 ]  - [  -0.0099634100000000, -0.0000179300000000, -0.0000368400000000 ]  - [  -0.0018750400000000,  0.0046678300000000, -0.0007012100000000 ]  - [   0.0038606200000000,  0.0000119200000000, -0.0000216800000000 ]  - [  -0.0018673100000000, -0.0046758200000000,  0.0006465900000000 ]  - [   0.0108379800000000,  0.0024655700000000, -0.0035414000000000 ]  - [  -0.0099634100000000,  0.0000179300000000,  0.0000368400000000 ]  - [   0.0099971500000000, -0.0029632300000000,  0.0030197700000000 ]  - [   0.0151216200000000,  0.0000447800000000,  0.0000255900000000 ]  - [  -0.0045676500000000, -0.0048895500000000,  0.0017142800000000 ]  - [  -0.0045592700000000,  0.0048377400000000, -0.0016478400000000 ]  - [  -0.0018673100000000,  0.0046758200000000, -0.0006465900000000 ]  - [  -0.0018750400000000, -0.0046678300000000,  0.0007012100000000 ]  - [   0.0038606200000000, -0.0000119200000000,  0.0000216800000000 ]  - [   0.0001522100000000,  0.0000149700000000, -0.0001191300000000 ]  - [  -0.0003072900000000, -0.0000009200000000, -0.0000216700000000 ]  - [   0.0001518000000000, -0.0000154500000000,  0.0000757200000000 ]  - [   0.0001777700000000,  0.0000000800000000, -0.0000215300000000 ]  - [  -0.0000914900000000, -0.0001353400000000, -0.0000241300000000 ]  - [  -0.0000919100000000,  0.0001356000000000, -0.0000175900000000 ]  - [  -0.0000719400000000,  0.0001350100000000, -0.0001096500000000 ]  - [  -0.0000730000000000, -0.0001352300000000,  0.0000667100000000 ]  - [   0.0001426000000000, -0.0000005300000000, -0.0000207100000000 ]  - [   0.0012326200000000,  0.0000007800000000,  0.0000255700000000 ]  - [  -0.0006319900000000, -0.0000187000000000, -0.0011793500000000 ]  - [  -0.0006346100000000,  0.0000183400000000,  0.0012237800000000 ]  - [   0.0003564900000000,  0.0003763800000000,  0.0002948400000000 ]  - [   0.0003559700000000, -0.0003758700000000, -0.0002494900000000 ]  - [  -0.0006943700000000, -0.0000012700000000,  0.0000253200000000 ]  - [   0.0002049900000000,  0.0006792100000000, -0.0009052300000000 ]  - [  -0.0003940600000000,  0.0000010000000000,  0.0000209400000000 ]  - [   0.0002014900000000, -0.0006771500000000,  0.0009534600000000 ]  - [   0.0012326200000000, -0.0000007800000000, -0.0000255700000000 ]  - [  -0.0006319900000000,  0.0000187000000000,  0.0011793500000000 ]  - [  -0.0006346100000000, -0.0000183400000000, -0.0012237800000000 ]  - [   0.0002014900000000,  0.0006771500000000, -0.0009534600000000 ]  - [   0.0002049900000000, -0.0006792100000000,  0.0009052300000000 ]  - [  -0.0003940600000000, -0.0000010000000000, -0.0000209400000000 ]  - [   0.0003559700000000,  0.0003758700000000,  0.0002494900000000 ]  - [  -0.0006943700000000,  0.0000012700000000, -0.0000253200000000 ]  - [   0.0003564900000000, -0.0003763800000000, -0.0002948400000000 ]  - [   0.0001777700000000, -0.0000000800000000,  0.0000215300000000 ]  - [  -0.0000914900000000,  0.0001353400000000,  0.0000241300000000 ]  - [  -0.0000919100000000, -0.0001356000000000,  0.0000175900000000 ]  - [   0.0001518000000000,  0.0000154500000000, -0.0000757200000000 ]  - [   0.0001522100000000, -0.0000149700000000,  0.0001191300000000 ]  - [  -0.0003072900000000,  0.0000009200000000,  0.0000216700000000 ]  - [  -0.0000730000000000,  0.0001352300000000, -0.0000667100000000 ]  - [   0.0001426000000000,  0.0000005300000000,  0.0000207100000000 ]  - [  -0.0000719400000000, -0.0001350100000000,  0.0001096500000000 ]  - [  -0.0031766500000000,  0.0000125800000000,  0.0000199300000000 ]  - [   0.0013662800000000, -0.0009611800000000, -0.0018680000000000 ]  - [   0.0013612900000000,  0.0009528700000000,  0.0018547000000000 ]  - [   0.0002882600000000, -0.0019895700000000,  0.0056315700000000 ]  - [   0.0002603100000000,  0.0019952700000000, -0.0056364400000000 ]  - [   0.0015133000000000,  0.0000006600000000, -0.0000053700000000 ]  - [   0.0001501700000000, -0.0007865800000000,  0.0001729900000000 ]  - [  -0.0002938300000000, -0.0000052000000000,  0.0000049200000000 ]  - [   0.0001477900000000,  0.0007894100000000, -0.0001748100000000 ]  - [   0.0002603100000000, -0.0019952700000000,  0.0056364400000000 ]  - [   0.0015133000000000, -0.0000006600000000,  0.0000053700000000 ]  - [   0.0002882600000000,  0.0019895700000000, -0.0056315700000000 ]  - [  -0.0031766500000000, -0.0000125800000000, -0.0000199300000000 ]  - [   0.0013662800000000,  0.0009611800000000,  0.0018680000000000 ]  - [   0.0013612900000000, -0.0009528700000000, -0.0018547000000000 ]  - [   0.0001477900000000, -0.0007894100000000,  0.0001748100000000 ]  - [   0.0001501700000000,  0.0007865800000000, -0.0001729900000000 ]  - [  -0.0002938300000000,  0.0000052000000000, -0.0000049200000000 ]  - [  -0.0000331900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000145000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000142900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000090600000000, -0.0000134600000000,  0.0000266000000000 ]  - [  -0.0000090000000000,  0.0000136000000000, -0.0000266300000000 ]  - [   0.0000141500000000, -0.0000000100000000, -0.0000002000000000 ]  - [  -0.0000090000000000, -0.0000136000000000,  0.0000266300000000 ]  - [   0.0000141500000000,  0.0000000100000000,  0.0000002000000000 ]  - [  -0.0000090600000000,  0.0000134600000000, -0.0000266000000000 ]  - [  -0.1326386400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0412310500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0407337400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006968300000000, -0.0232532400000000,  0.0038201400000000 ]  - [   0.0005903100000000,  0.0233236500000000, -0.0038501100000000 ]  - [   0.0054815700000000,  0.0000254300000000,  0.0000023100000000 ]  - [   0.0005903100000000, -0.0233236500000000,  0.0038501100000000 ]  - [   0.0054815700000000, -0.0000254300000000, -0.0000023100000000 ]  - [   0.0006968300000000,  0.0232532400000000, -0.0038201400000000 ]  - [  -0.0009002300000000, -0.0000028400000000,  0.0000012100000000 ]  - [   0.0004478300000000, -0.0002856600000000,  0.0005630600000000 ]  - [   0.0004508200000000,  0.0002827200000000, -0.0005571300000000 ]  - [  -0.0004489400000000, -0.0002613100000000, -0.0006450300000000 ]  - [  -0.0004445500000000,  0.0002633300000000,  0.0006530500000000 ]  - [   0.0008842200000000,  0.0000022300000000,  0.0000043000000000 ]  - [   0.0000193900000000, -0.0004975900000000, -0.0000382500000000 ]  - [  -0.0000412600000000,  0.0000011000000000,  0.0000026900000000 ]  - [   0.0000201600000000,  0.0004980400000000,  0.0000425700000000 ]  - [  -0.0004445500000000, -0.0002633300000000, -0.0006530500000000 ]  - [   0.0008842200000000, -0.0000022300000000, -0.0000043000000000 ]  - [  -0.0004489400000000,  0.0002613100000000,  0.0006450300000000 ]  - [  -0.0009002300000000,  0.0000028400000000, -0.0000012100000000 ]  - [   0.0004478300000000,  0.0002856600000000, -0.0005630600000000 ]  - [   0.0004508200000000, -0.0002827200000000,  0.0005571300000000 ]  - [   0.0000201600000000, -0.0004980400000000, -0.0000425700000000 ]  - [   0.0000193900000000,  0.0004975900000000,  0.0000382500000000 ]  - [  -0.0000412600000000, -0.0000011000000000, -0.0000026900000000 ]- atom:   82  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0021778700000000,  0.0154755000000000 ]  - [  -0.0009840500000000,  0.0005681400000000,  0.0028585100000000 ]  - [   0.0009840500000000,  0.0005681400000000,  0.0028585100000000 ]  - [  -0.0018860900000000,  0.0010889300000000,  0.0154755000000000 ]  - [   0.0018860900000000,  0.0010889300000000,  0.0154755000000000 ]  - [   0.0000000000000000,  0.0002178500000000,  0.0022959900000000 ]  - [  -0.0001886600000000, -0.0001089200000000,  0.0022959900000000 ]  - [   0.0000000000000000, -0.0011362800000000,  0.0028585100000000 ]  - [   0.0001886600000000, -0.0001089200000000,  0.0022959900000000 ]  - [  -0.0015669500000000,  0.0009046800000000,  0.0153951000000000 ]  - [   0.0000000000000000,  0.0002143100000000,  0.0023385600000000 ]  - [   0.0015669500000000,  0.0009046800000000,  0.0153951000000000 ]  - [   0.0000000000000000, -0.0018093600000000,  0.0153951000000000 ]  - [   0.0009878200000000,  0.0005703200000000,  0.0028878900000000 ]  - [  -0.0009878200000000,  0.0005703200000000,  0.0028878900000000 ]  - [  -0.0001856000000000, -0.0001071600000000,  0.0023385600000000 ]  - [   0.0001856000000000, -0.0001071600000000,  0.0023385600000000 ]  - [   0.0000000000000000, -0.0011406300000000,  0.0028878900000000 ]  - [  -0.0002114100000000,  0.0001220600000000, -0.0013824600000000 ]  - [   0.0000000000000000,  0.0000973400000000, -0.0012482200000000 ]  - [   0.0002114100000000,  0.0001220600000000, -0.0013824600000000 ]  - [   0.0000000000000000, -0.0002441100000000, -0.0013824600000000 ]  - [  -0.0001203300000000, -0.0000694700000000, -0.0013450500000000 ]  - [   0.0001203300000000, -0.0000694700000000, -0.0013450500000000 ]  - [  -0.0000843000000000, -0.0000486700000000, -0.0012482200000000 ]  - [   0.0000843000000000, -0.0000486700000000, -0.0012482200000000 ]  - [   0.0000000000000000,  0.0001389400000000, -0.0013450500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031370900000000 ]  - [  -0.0007831600000000, -0.0001247900000000, -0.0012465800000000 ]  - [   0.0007831600000000, -0.0001247900000000, -0.0012465800000000 ]  - [   0.0004996500000000, -0.0006158400000000, -0.0012465800000000 ]  - [  -0.0004996500000000, -0.0006158400000000, -0.0012465800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007922700000000 ]  - [  -0.0002835100000000,  0.0007406300000000, -0.0012465800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001469600000000 ]  - [   0.0002835100000000,  0.0007406300000000, -0.0012465800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031693100000000 ]  - [   0.0007780400000000, -0.0001217400000000, -0.0012974000000000 ]  - [  -0.0007780400000000, -0.0001217400000000, -0.0012974000000000 ]  - [  -0.0002835900000000,  0.0007346800000000, -0.0012974000000000 ]  - [   0.0002835900000000,  0.0007346800000000, -0.0012974000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002042700000000 ]  - [   0.0004944500000000, -0.0006129300000000, -0.0012974000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008504000000000 ]  - [  -0.0004944500000000, -0.0006129300000000, -0.0012974000000000 ]  - [   0.0000000000000000, -0.0002412400000000, -0.0013341700000000 ]  - [   0.0001193900000000, -0.0000689300000000, -0.0012986500000000 ]  - [  -0.0001193900000000, -0.0000689300000000, -0.0012986500000000 ]  - [  -0.0002089200000000,  0.0001206200000000, -0.0013341700000000 ]  - [   0.0002089200000000,  0.0001206200000000, -0.0013341700000000 ]  - [   0.0000000000000000,  0.0000968300000000, -0.0012012700000000 ]  - [  -0.0000838600000000, -0.0000484200000000, -0.0012012700000000 ]  - [   0.0000000000000000,  0.0001378700000000, -0.0012986500000000 ]  - [   0.0000838600000000, -0.0000484200000000, -0.0012012700000000 ]  - [   0.0000000000000000,  0.0049781500000000,  0.0061516700000000 ]  - [  -0.0008325300000000,  0.0004806600000000,  0.0002136500000000 ]  - [   0.0008325300000000,  0.0004806600000000,  0.0002136500000000 ]  - [   0.0043112000000000, -0.0024890700000000,  0.0061516700000000 ]  - [  -0.0043112000000000, -0.0024890700000000,  0.0061516700000000 ]  - [   0.0000000000000000, -0.0001724800000000, -0.0003665300000000 ]  - [   0.0001493700000000,  0.0000862400000000, -0.0003665300000000 ]  - [   0.0000000000000000, -0.0009613200000000,  0.0002136500000000 ]  - [  -0.0001493700000000,  0.0000862400000000, -0.0003665300000000 ]  - [   0.0043452800000000, -0.0025087500000000,  0.0061809300000000 ]  - [   0.0000000000000000, -0.0001723100000000, -0.0003753700000000 ]  - [  -0.0043452800000000, -0.0025087500000000,  0.0061809300000000 ]  - [   0.0000000000000000,  0.0050175000000000,  0.0061809300000000 ]  - [   0.0008328500000000,  0.0004808500000000,  0.0002004300000000 ]  - [  -0.0008328500000000,  0.0004808500000000,  0.0002004300000000 ]  - [   0.0001492300000000,  0.0000861600000000, -0.0003753700000000 ]  - [  -0.0001492300000000,  0.0000861600000000, -0.0003753700000000 ]  - [   0.0000000000000000, -0.0009616900000000,  0.0002004300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010978400000000 ]  - [   0.0000001700000000, -0.0000151300000000,  0.0010216300000000 ]  - [  -0.0000001700000000, -0.0000151300000000,  0.0010216300000000 ]  - [   0.0000130100000000,  0.0000077100000000,  0.0010216300000000 ]  - [  -0.0000130100000000,  0.0000077100000000,  0.0010216300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009855000000000 ]  - [   0.0000131900000000,  0.0000074100000000,  0.0010216300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009846000000000 ]  - [  -0.0000131900000000,  0.0000074100000000,  0.0010216300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0785160600000000 ]  - [  -0.0000536500000000, -0.0044342100000000, -0.0111367500000000 ]  - [   0.0000536500000000, -0.0044342100000000, -0.0111367500000000 ]  - [   0.0038669600000000,  0.0021706400000000, -0.0111367500000000 ]  - [  -0.0038669600000000,  0.0021706400000000, -0.0111367500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025927100000000 ]  - [   0.0038133100000000,  0.0022635700000000, -0.0111367500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025947800000000 ]  - [  -0.0038133100000000,  0.0022635700000000, -0.0111367500000000 ]  - [   0.0000000000000000, -0.0007529000000000,  0.0021204500000000 ]  - [   0.0005621500000000, -0.0003245600000000,  0.0013684900000000 ]  - [  -0.0005621500000000, -0.0003245600000000,  0.0013684900000000 ]  - [  -0.0006520300000000,  0.0003764500000000,  0.0021204500000000 ]  - [   0.0006520300000000,  0.0003764500000000,  0.0021204500000000 ]  - [   0.0000000000000000,  0.0000446700000000,  0.0012698700000000 ]  - [  -0.0000386800000000, -0.0000223300000000,  0.0012698700000000 ]  - [   0.0000000000000000,  0.0006491100000000,  0.0013684900000000 ]  - [   0.0000386800000000, -0.0000223300000000,  0.0012698700000000 ]  - [  -0.0006497100000000,  0.0003751100000000,  0.0021165300000000 ]  - [   0.0000000000000000,  0.0000469900000000,  0.0012731400000000 ]  - [   0.0006497100000000,  0.0003751100000000,  0.0021165300000000 ]  - [   0.0000000000000000, -0.0007502200000000,  0.0021165300000000 ]  - [  -0.0005584300000000, -0.0003224100000000,  0.0013684800000000 ]  - [   0.0005584300000000, -0.0003224100000000,  0.0013684800000000 ]  - [  -0.0000406900000000, -0.0000235000000000,  0.0012731400000000 ]  - [   0.0000406900000000, -0.0000235000000000,  0.0012731400000000 ]  - [   0.0000000000000000,  0.0006448200000000,  0.0013684800000000 ]