# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4dadfc50-30f4-4f2b-aea6-cf2b250998e9/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 Pr2C(NO)2 / P-3m1 (164) / materials id 9497](https://mdr.nims.go.jp/datasets/e981e016-2acc-494b-9550-8993d7353db4)

## 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: "P-3m1"  number: 164  Hall_symbol: "-P 3 2\""supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.915561140000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.957780570000000,     3.390975420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.313708699999999 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700  - symbol: N  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.648668650000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.351331350000000 ]    mass: 14.006700  - symbol: O  # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.896607170000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.103392830000000 ]    mass: 15.999400  - symbol: Pr # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.181128030000000 ]    mass: 140.907650  - symbol: Pr # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.818871970000000 ]    mass: 140.907650  reciprocal_lattice: # without 2pi  - [     0.255391236209888,     0.147450198857531,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.294900397715062,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.120283261789050 ] # c*unit_cell:  lattice:  - [     3.915561140000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.957780570000000,     3.390975420000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.313708699999999 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.648668650000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.351331350000000 ]    mass: 14.006700    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.896607170000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.103392830000000 ]    mass: 15.999400    reduced_to: 5  - symbol: Pr # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.181128030000000 ]    mass: 140.907650    reduced_to: 6  - symbol: Pr # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.818871970000000 ]    mass: 140.907650    reduced_to: 7supercell:  lattice:  - [    11.746683420000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.873341710000000,    10.172926260000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.627417399999999 ] # c  points:  - symbol: C  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.250000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 11    coordinates: [  0.333333333333333,  0.000000000000000,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 12    coordinates: [  0.666666666666667,  0.000000000000000,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 13    coordinates: [  0.000000000000000,  0.333333333333333,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 14    coordinates: [  0.333333333333333,  0.333333333333333,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 15    coordinates: [  0.666666666666667,  0.333333333333333,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 16    coordinates: [  0.000000000000000,  0.666666666666667,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 17    coordinates: [  0.333333333333333,  0.666666666666667,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 18    coordinates: [  0.666666666666667,  0.666666666666667,  0.750000000000000 ]    mass: 12.010700    reduced_to: 1  - symbol: N  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.324334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.824334325000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.175665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.675665675000000 ]    mass: 14.006700    reduced_to: 37  - symbol: O  # 55    coordinates: [  0.222222223333333,  0.111111110000000,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.555555556666667,  0.111111110000000,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.888888890000000,  0.111111110000000,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.222222223333333,  0.444444443333333,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.555555556666667,  0.444444443333333,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.888888890000000,  0.444444443333333,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.222222223333333,  0.777777776666667,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 62    coordinates: [  0.555555556666667,  0.777777776666667,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 63    coordinates: [  0.888888890000000,  0.777777776666667,  0.448303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 64    coordinates: [  0.222222223333333,  0.111111110000000,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 65    coordinates: [  0.555555556666667,  0.111111110000000,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 66    coordinates: [  0.888888890000000,  0.111111110000000,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 67    coordinates: [  0.222222223333333,  0.444444443333333,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 68    coordinates: [  0.555555556666667,  0.444444443333333,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 69    coordinates: [  0.888888890000000,  0.444444443333333,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 70    coordinates: [  0.222222223333333,  0.777777776666667,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 71    coordinates: [  0.555555556666667,  0.777777776666667,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 72    coordinates: [  0.888888890000000,  0.777777776666667,  0.948303585000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 73    coordinates: [  0.111111110000000,  0.222222223333333,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.444444443333333,  0.222222223333333,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.777777776666667,  0.222222223333333,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.111111110000000,  0.555555556666667,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.444444443333333,  0.555555556666667,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.777777776666667,  0.555555556666667,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.111111110000000,  0.888888890000000,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.444444443333333,  0.888888890000000,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.777777776666667,  0.888888890000000,  0.051696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.111111110000000,  0.222222223333333,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 83    coordinates: [  0.444444443333333,  0.222222223333333,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 84    coordinates: [  0.777777776666667,  0.222222223333333,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 85    coordinates: [  0.111111110000000,  0.555555556666667,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 86    coordinates: [  0.444444443333333,  0.555555556666667,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 87    coordinates: [  0.777777776666667,  0.555555556666667,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 88    coordinates: [  0.111111110000000,  0.888888890000000,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 89    coordinates: [  0.444444443333333,  0.888888890000000,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 90    coordinates: [  0.777777776666667,  0.888888890000000,  0.551696415000000 ]    mass: 15.999400    reduced_to: 73  - symbol: Pr # 91    coordinates: [  0.222222223333333,  0.111111110000000,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 92    coordinates: [  0.555555556666667,  0.111111110000000,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 93    coordinates: [  0.888888890000000,  0.111111110000000,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 94    coordinates: [  0.222222223333333,  0.444444443333333,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 95    coordinates: [  0.555555556666667,  0.444444443333333,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 96    coordinates: [  0.888888890000000,  0.444444443333333,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 97    coordinates: [  0.222222223333333,  0.777777776666667,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 98    coordinates: [  0.555555556666667,  0.777777776666667,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 99    coordinates: [  0.888888890000000,  0.777777776666667,  0.090564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 100    coordinates: [  0.222222223333333,  0.111111110000000,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 101    coordinates: [  0.555555556666667,  0.111111110000000,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 102    coordinates: [  0.888888890000000,  0.111111110000000,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 103    coordinates: [  0.222222223333333,  0.444444443333333,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.590564015000000 ]    mass: 140.907650    reduced_to: 91  - symbol: Pr # 109    coordinates: [  0.111111110000000,  0.222222223333333,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 110    coordinates: [  0.444444443333333,  0.222222223333333,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 111    coordinates: [  0.777777776666667,  0.222222223333333,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 112    coordinates: [  0.111111110000000,  0.555555556666667,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 113    coordinates: [  0.444444443333333,  0.555555556666667,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 114    coordinates: [  0.777777776666667,  0.555555556666667,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 115    coordinates: [  0.111111110000000,  0.888888890000000,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 116    coordinates: [  0.444444443333333,  0.888888890000000,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 117    coordinates: [  0.777777776666667,  0.888888890000000,  0.409435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 118    coordinates: [  0.111111110000000,  0.222222223333333,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 119    coordinates: [  0.444444443333333,  0.222222223333333,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 120    coordinates: [  0.777777776666667,  0.222222223333333,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 121    coordinates: [  0.111111110000000,  0.555555556666667,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 122    coordinates: [  0.444444443333333,  0.555555556666667,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 123    coordinates: [  0.777777776666667,  0.555555556666667,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 124    coordinates: [  0.111111110000000,  0.888888890000000,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 125    coordinates: [  0.444444443333333,  0.888888890000000,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109  - symbol: Pr # 126    coordinates: [  0.777777776666667,  0.888888890000000,  0.909435985000000 ]    mass: 140.907650    reduced_to: 109born_effective_charge:- # 1 (C)  - [ -0.280005000000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.280005000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.529381440000000 ]- # 2 (N)  - [ -1.215224920000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.215224920000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.073922420000000 ]- # 3 (N)  - [ -1.215224920000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.215224920000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.073922420000000 ]- # 4 (O)  - [ -2.622491510000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.622491510000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.714261510000000 ]- # 5 (O)  - [ -2.622491510000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.622491510000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.714261510000000 ]- # 6 (Pr)  - [  3.977718920000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.977718920000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.023493210000000 ]- # 7 (Pr)  - [  3.977718920000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.977718920000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.023493210000000 ]dielectric_constant:  - [  3.828892340000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.828892340000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.173706150000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1244357100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002042000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002047800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000196300000000, -0.0001083200000000,  0.0001216900000000 ]  - [   0.0000185500000000,  0.0001059100000000, -0.0001214600000000 ]  - [   0.0000454200000000, -0.0000000700000000,  0.0000007400000000 ]  - [   0.0000185500000000, -0.0001059100000000,  0.0001214600000000 ]  - [   0.0000454200000000,  0.0000000700000000, -0.0000007400000000 ]  - [   0.0000196300000000,  0.0001083200000000, -0.0001216900000000 ]  - [  -0.0000549100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000224500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000224300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000066200000000, -0.0000168000000000,  0.0000024500000000 ]  - [  -0.0000065000000000,  0.0000166700000000, -0.0000027500000000 ]  - [   0.0000182400000000,  0.0000000100000000, -0.0000001700000000 ]  - [  -0.0000065000000000, -0.0000166700000000,  0.0000027500000000 ]  - [   0.0000182400000000, -0.0000000100000000,  0.0000001700000000 ]  - [  -0.0000066200000000,  0.0000168000000000, -0.0000024500000000 ]  - [   0.0571101800000000,  0.0000203900000000, -0.0020517300000000 ]  - [  -0.0000876100000000,  0.0000604500000000, -0.0000832500000000 ]  - [  -0.0000848300000000, -0.0000610200000000,  0.0000879400000000 ]  - [  -0.0000572700000000,  0.0000689000000000, -0.0000911800000000 ]  - [  -0.0000531700000000, -0.0000667000000000,  0.0000967000000000 ]  - [   0.0000551300000000, -0.0000007600000000,  0.0000014500000000 ]  - [  -0.0000625400000000, -0.0000382600000000, -0.0001763700000000 ]  - [   0.0000448200000000,  0.0000009300000000,  0.0000028700000000 ]  - [  -0.0000665900000000,  0.0000366400000000,  0.0001828200000000 ]  - [  -0.0001248000000000, -0.0000000400000000,  0.0000021800000000 ]  - [   0.0000572800000000, -0.0000110700000000,  0.0000028900000000 ]  - [   0.0000572000000000,  0.0000112200000000,  0.0000016200000000 ]  - [  -0.0000309400000000, -0.0000346500000000, -0.0000030400000000 ]  - [  -0.0000305600000000,  0.0000344100000000,  0.0000077000000000 ]  - [   0.0000649500000000, -0.0000003500000000,  0.0000024800000000 ]  - [  -0.0000068400000000, -0.0000532200000000, -0.0000026800000000 ]  - [   0.0000177300000000,  0.0000001400000000,  0.0000020900000000 ]  - [  -0.0000071500000000,  0.0000534300000000,  0.0000069900000000 ]  - [   0.0571101800000000, -0.0000203900000000,  0.0020517300000000 ]  - [  -0.0000876100000000, -0.0000604500000000,  0.0000832500000000 ]  - [  -0.0000848300000000,  0.0000610200000000, -0.0000879400000000 ]  - [  -0.0000665900000000, -0.0000366400000000, -0.0001828200000000 ]  - [  -0.0000625400000000,  0.0000382600000000,  0.0001763700000000 ]  - [   0.0000448200000000, -0.0000009300000000, -0.0000028700000000 ]  - [  -0.0000531700000000,  0.0000667000000000, -0.0000967000000000 ]  - [   0.0000551300000000,  0.0000007600000000, -0.0000014500000000 ]  - [  -0.0000572700000000, -0.0000689000000000,  0.0000911800000000 ]  - [  -0.0001248000000000,  0.0000000400000000, -0.0000021800000000 ]  - [   0.0000572800000000,  0.0000110700000000, -0.0000028900000000 ]  - [   0.0000572000000000, -0.0000112200000000, -0.0000016200000000 ]  - [  -0.0000071500000000, -0.0000534300000000, -0.0000069900000000 ]  - [  -0.0000068400000000,  0.0000532200000000,  0.0000026800000000 ]  - [   0.0000177300000000, -0.0000001400000000, -0.0000020900000000 ]  - [  -0.0000305600000000, -0.0000344100000000, -0.0000077000000000 ]  - [   0.0000649500000000,  0.0000003500000000, -0.0000024800000000 ]  - [  -0.0000309400000000,  0.0000346500000000,  0.0000030400000000 ]  - [   0.0010376400000000,  0.0009738500000000,  0.0012667900000000 ]  - [   0.0001183600000000, -0.0000010900000000, -0.0000092100000000 ]  - [   0.0010288200000000, -0.0009739000000000, -0.0012908100000000 ]  - [   0.0001809000000000,  0.0000061200000000, -0.0000063200000000 ]  - [  -0.0000385600000000,  0.0000898100000000, -0.0000118000000000 ]  - [  -0.0000383200000000, -0.0000912300000000, -0.0000036300000000 ]  - [   0.0013894600000000, -0.0006953900000000,  0.0002086200000000 ]  - [   0.0013923800000000,  0.0007018100000000, -0.0002258700000000 ]  - [  -0.0006535600000000, -0.0000043400000000, -0.0000043400000000 ]  - [  -0.0001491200000000,  0.0000991900000000, -0.0005142600000000 ]  - [   0.0002468600000000,  0.0000004100000000, -0.0000074100000000 ]  - [  -0.0001512000000000, -0.0000988600000000,  0.0004975100000000 ]  - [   0.0000044300000000,  0.0000005400000000, -0.0000092700000000 ]  - [  -0.0000108800000000,  0.0001479400000000, -0.0000632600000000 ]  - [  -0.0000101500000000, -0.0001492600000000,  0.0000452200000000 ]  - [   0.0002175600000000, -0.0001221900000000, -0.0001069400000000 ]  - [   0.0002175500000000,  0.0001239100000000,  0.0000904400000000 ]  - [  -0.0003217000000000,  0.0000010200000000, -0.0000121800000000 ]  - [  -0.0006535600000000,  0.0000043400000000,  0.0000043400000000 ]  - [   0.0013894600000000,  0.0006953900000000, -0.0002086200000000 ]  - [   0.0013923800000000, -0.0007018100000000,  0.0002258700000000 ]  - [  -0.0000385600000000, -0.0000898100000000,  0.0000118000000000 ]  - [  -0.0000383200000000,  0.0000912300000000,  0.0000036300000000 ]  - [   0.0001809000000000, -0.0000061200000000,  0.0000063200000000 ]  - [   0.0010376400000000, -0.0009738500000000, -0.0012667900000000 ]  - [   0.0001183600000000,  0.0000010900000000,  0.0000092100000000 ]  - [   0.0010288200000000,  0.0009739000000000,  0.0012908100000000 ]  - [  -0.0003217000000000, -0.0000010200000000,  0.0000121800000000 ]  - [   0.0002175600000000,  0.0001221900000000,  0.0001069400000000 ]  - [   0.0002175500000000, -0.0001239100000000, -0.0000904400000000 ]  - [  -0.0000108800000000, -0.0001479400000000,  0.0000632600000000 ]  - [  -0.0000101500000000,  0.0001492600000000, -0.0000452200000000 ]  - [   0.0000044300000000, -0.0000005400000000,  0.0000092700000000 ]  - [  -0.0001491200000000, -0.0000991900000000,  0.0005142600000000 ]  - [   0.0002468600000000, -0.0000004100000000,  0.0000074100000000 ]  - [  -0.0001512000000000,  0.0000988600000000, -0.0004975100000000 ]  - [   0.0003685100000000, -0.0004052000000000, -0.0022714400000000 ]  - [  -0.0004876800000000,  0.0000007700000000, -0.0000100100000000 ]  - [   0.0003600200000000,  0.0004461100000000,  0.0022106000000000 ]  - [  -0.0000217800000000, -0.0000024800000000, -0.0000065600000000 ]  - [   0.0000278900000000, -0.0002950200000000, -0.0000876700000000 ]  - [   0.0000289900000000,  0.0003009100000000,  0.0000745900000000 ]  - [  -0.0004007100000000,  0.0002147100000000, -0.0002969000000000 ]  - [  -0.0003994700000000, -0.0002220200000000,  0.0002800800000000 ]  - [   0.0011016700000000, -0.0000018600000000, -0.0000029800000000 ]  - [   0.0001608900000000, -0.0001340500000000, -0.0004293100000000 ]  - [  -0.0002381200000000,  0.0000007000000000, -0.0000081100000000 ]  - [   0.0001638500000000,  0.0001356700000000,  0.0004120100000000 ]  - [  -0.0000214700000000, -0.0000007500000000, -0.0000095800000000 ]  - [   0.0000098700000000, -0.0001426500000000, -0.0000191600000000 ]  - [   0.0000092200000000,  0.0001433700000000,  0.0000010100000000 ]  - [  -0.0001919000000000,  0.0000978200000000, -0.0002960900000000 ]  - [  -0.0001914100000000, -0.0000988800000000,  0.0002818300000000 ]  - [   0.0003958700000000, -0.0000004000000000, -0.0000103300000000 ]  - [   0.0011016700000000,  0.0000018600000000,  0.0000029800000000 ]  - [  -0.0004007100000000, -0.0002147100000000,  0.0002969000000000 ]  - [  -0.0003994700000000,  0.0002220200000000, -0.0002800800000000 ]  - [   0.0000278900000000,  0.0002950200000000,  0.0000876700000000 ]  - [   0.0000289900000000, -0.0003009100000000, -0.0000745900000000 ]  - [  -0.0000217800000000,  0.0000024800000000,  0.0000065600000000 ]  - [   0.0003685100000000,  0.0004052000000000,  0.0022714400000000 ]  - [  -0.0004876800000000, -0.0000007700000000,  0.0000100100000000 ]  - [   0.0003600200000000, -0.0004461100000000, -0.0022106000000000 ]  - [   0.0003958700000000,  0.0000004000000000,  0.0000103300000000 ]  - [  -0.0001919000000000, -0.0000978200000000,  0.0002960900000000 ]  - [  -0.0001914100000000,  0.0000988800000000, -0.0002818300000000 ]  - [   0.0000098700000000,  0.0001426500000000,  0.0000191600000000 ]  - [   0.0000092200000000, -0.0001433700000000, -0.0000010100000000 ]  - [  -0.0000214700000000,  0.0000007500000000,  0.0000095800000000 ]  - [   0.0001608900000000,  0.0001340500000000,  0.0004293100000000 ]  - [  -0.0002381200000000, -0.0000007000000000,  0.0000081100000000 ]  - [   0.0001638500000000, -0.0001356700000000, -0.0004120100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -1.3409771800000001 ]  - [  -0.0000061600000000, -0.0001405800000000, -0.0143771100000000 ]  - [   0.0000061600000000, -0.0001405800000000, -0.0143771100000000 ]  - [   0.0001248200000000,  0.0000649600000000, -0.0143771100000000 ]  - [  -0.0001248200000000,  0.0000649600000000, -0.0143771100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057564800000000 ]  - [   0.0001186700000000,  0.0000756200000000, -0.0143771100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057510700000000 ]  - [  -0.0001186700000000,  0.0000756200000000, -0.0143771100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078535500000000 ]  - [   0.0000000000000000, -0.0000031000000000,  0.0053097000000000 ]  - [   0.0000000000000000, -0.0000031000000000,  0.0053097000000000 ]  - [   0.0000026800000000,  0.0000015500000000,  0.0053097000000000 ]  - [  -0.0000026800000000,  0.0000015500000000,  0.0053097000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043156000000000 ]  - [   0.0000026900000000,  0.0000015500000000,  0.0053097000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043137800000000 ]  - [  -0.0000026900000000,  0.0000015500000000,  0.0053097000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.6725707100000000 ]  - [  -0.0035236500000000, -0.0003630900000000,  0.0085389900000000 ]  - [   0.0035236500000000, -0.0003630900000000,  0.0085389900000000 ]  - [   0.0020762700000000, -0.0028700300000000,  0.0085389900000000 ]  - [  -0.0020762700000000, -0.0028700300000000,  0.0085389900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043779000000000 ]  - [  -0.0014473800000000,  0.0032331200000000,  0.0085389900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042818600000000 ]  - [   0.0014473800000000,  0.0032331200000000,  0.0085389900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056455100000000 ]  - [   0.0005586900000000, -0.0000143700000000, -0.0039282200000000 ]  - [  -0.0005586900000000, -0.0000143700000000, -0.0039282200000000 ]  - [  -0.0002669000000000,  0.0004910300000000, -0.0039282200000000 ]  - [   0.0002669000000000,  0.0004910300000000, -0.0039282200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032976400000000 ]  - [   0.0002917900000000, -0.0004766600000000, -0.0039282200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032421200000000 ]  - [  -0.0002917900000000, -0.0004766600000000, -0.0039282200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.6231110500000000 ]  - [   0.0035280600000000, -0.0003617000000000,  0.0085343200000000 ]  - [  -0.0035280600000000, -0.0003617000000000,  0.0085343200000000 ]  - [  -0.0014507900000000,  0.0032362400000000,  0.0085343200000000 ]  - [   0.0014507900000000,  0.0032362400000000,  0.0085343200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042864500000000 ]  - [   0.0020772700000000, -0.0028745400000000,  0.0085343200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043736500000000 ]  - [  -0.0020772700000000, -0.0028745400000000,  0.0085343200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056415500000000 ]  - [  -0.0005598400000000, -0.0000141700000000, -0.0039240700000000 ]  - [   0.0005598400000000, -0.0000141700000000, -0.0039240700000000 ]  - [   0.0002921900000000, -0.0004777500000000, -0.0039240700000000 ]  - [  -0.0002921900000000, -0.0004777500000000, -0.0039240700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032386500000000 ]  - [  -0.0002676500000000,  0.0004919200000000, -0.0039240700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032916200000000 ]  - [   0.0002676500000000,  0.0004919200000000, -0.0039240700000000 ]  - [  -0.0067274400000000, -0.0038840900000000, -0.0075522600000000 ]  - [   0.0000000000000000,  0.0000518500000000, -0.0000586400000000 ]  - [   0.0067274400000000, -0.0038840900000000, -0.0075522600000000 ]  - [   0.0000000000000000, -0.0065581400000000, -0.0007904000000000 ]  - [   0.0000449000000000, -0.0000259200000000, -0.0000586400000000 ]  - [  -0.0000449000000000, -0.0000259200000000, -0.0000586400000000 ]  - [  -0.0056795200000000,  0.0032790700000000, -0.0007904000000000 ]  - [   0.0056795200000000,  0.0032790700000000, -0.0007904000000000 ]  - [   0.0000000000000000,  0.0077681800000000, -0.0075522600000000 ]  - [   0.0004948200000000,  0.0002856800000000, -0.0059751300000000 ]  - [   0.0000000000000000, -0.0006759900000000, -0.0010681600000000 ]  - [  -0.0004948200000000,  0.0002856800000000, -0.0059751300000000 ]  - [   0.0000000000000000,  0.0017472300000000, -0.0013555000000000 ]  - [  -0.0005854300000000,  0.0003380000000000, -0.0010681600000000 ]  - [   0.0005854300000000,  0.0003380000000000, -0.0010681600000000 ]  - [   0.0015131500000000, -0.0008736100000000, -0.0013555000000000 ]  - [  -0.0015131500000000, -0.0008736100000000, -0.0013555000000000 ]  - [   0.0000000000000000, -0.0005713600000000, -0.0059751300000000 ]  - [   0.0000000000000000,  0.0077274600000000, -0.0075316300000000 ]  - [   0.0056611900000000,  0.0032684900000000, -0.0007687200000000 ]  - [  -0.0056611900000000,  0.0032684900000000, -0.0007687200000000 ]  - [  -0.0000435400000000, -0.0000251400000000, -0.0000458300000000 ]  - [   0.0000435400000000, -0.0000251400000000, -0.0000458300000000 ]  - [   0.0000000000000000, -0.0065369800000000, -0.0007687200000000 ]  - [   0.0066921800000000, -0.0038637300000000, -0.0075316300000000 ]  - [   0.0000000000000000,  0.0000502800000000, -0.0000458300000000 ]  - [  -0.0066921800000000, -0.0038637300000000, -0.0075316300000000 ]  - [   0.0000000000000000, -0.0005781000000000, -0.0059532100000000 ]  - [  -0.0015173100000000, -0.0008760200000000, -0.0013361800000000 ]  - [   0.0015173100000000, -0.0008760200000000, -0.0013361800000000 ]  - [   0.0005858900000000,  0.0003382700000000, -0.0010469600000000 ]  - [  -0.0005858900000000,  0.0003382700000000, -0.0010469600000000 ]  - [   0.0000000000000000,  0.0017520400000000, -0.0013361800000000 ]  - [  -0.0005006500000000,  0.0002890500000000, -0.0059532100000000 ]  - [   0.0000000000000000, -0.0006765300000000, -0.0010469600000000 ]  - [   0.0005006500000000,  0.0002890500000000, -0.0059532100000000 ]  - [  -0.0215184300000000, -0.0124236700000000,  0.0171247300000000 ]  - [   0.0000000000000000,  0.0011220400000000, -0.0021088600000000 ]  - [   0.0215184300000000, -0.0124236700000000,  0.0171247300000000 ]  - [   0.0000000000000000, -0.0048693500000000, -0.0020910700000000 ]  - [   0.0009717200000000, -0.0005610200000000, -0.0021088600000000 ]  - [  -0.0009717200000000, -0.0005610200000000, -0.0021088600000000 ]  - [  -0.0042169800000000,  0.0024346700000000, -0.0020910700000000 ]  - [   0.0042169800000000,  0.0024346700000000, -0.0020910700000000 ]  - [   0.0000000000000000,  0.0248473500000000,  0.0171247300000000 ]  - [   0.0014167300000000,  0.0008179500000000,  0.0057642000000000 ]  - [   0.0000000000000000,  0.0000771500000000,  0.0022610300000000 ]  - [  -0.0014167300000000,  0.0008179500000000,  0.0057642000000000 ]  - [   0.0000000000000000,  0.0015555400000000,  0.0034882500000000 ]  - [   0.0000668100000000, -0.0000385700000000,  0.0022610300000000 ]  - [  -0.0000668100000000, -0.0000385700000000,  0.0022610300000000 ]  - [   0.0013471400000000, -0.0007777700000000,  0.0034882500000000 ]  - [  -0.0013471400000000, -0.0007777700000000,  0.0034882500000000 ]  - [   0.0000000000000000, -0.0016359000000000,  0.0057642000000000 ]  - [   0.0000000000000000,  0.0250396900000000,  0.0171698700000000 ]  - [   0.0042199900000000,  0.0024364100000000, -0.0020945900000000 ]  - [  -0.0042199900000000,  0.0024364100000000, -0.0020945900000000 ]  - [  -0.0009773000000000, -0.0005642400000000, -0.0021067800000000 ]  - [   0.0009773000000000, -0.0005642400000000, -0.0021067800000000 ]  - [   0.0000000000000000, -0.0048728200000000, -0.0020945900000000 ]  - [   0.0216850100000000, -0.0125198400000000,  0.0171698700000000 ]  - [   0.0000000000000000,  0.0011284900000000, -0.0021067800000000 ]  - [  -0.0216850100000000, -0.0125198400000000,  0.0171698700000000 ]  - [   0.0000000000000000, -0.0016329400000000,  0.0057700000000000 ]  - [  -0.0013459300000000, -0.0007770700000000,  0.0035046400000000 ]  - [   0.0013459300000000, -0.0007770700000000,  0.0035046400000000 ]  - [  -0.0000674800000000, -0.0000389600000000,  0.0022796900000000 ]  - [   0.0000674800000000, -0.0000389600000000,  0.0022796900000000 ]  - [   0.0000000000000000,  0.0015541500000000,  0.0035046400000000 ]  - [  -0.0014141700000000,  0.0008164700000000,  0.0057700000000000 ]  - [   0.0000000000000000,  0.0000779200000000,  0.0022796900000000 ]  - [   0.0014141700000000,  0.0008164700000000,  0.0057700000000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0571138800000000, -0.0000247500000000,  0.0023556400000000 ]  - [  -0.0000879000000000,  0.0000503300000000,  0.0035690900000000 ]  - [  -0.0000845800000000, -0.0000494800000000, -0.0034831300000000 ]  - [  -0.0000645800000000,  0.0000725100000000, -0.0014227200000000 ]  - [  -0.0000645300000000, -0.0000739600000000,  0.0014758900000000 ]  - [   0.0000448900000000, -0.0000000400000000,  0.0000142000000000 ]  - [  -0.0000555700000000, -0.0000423400000000,  0.0021088200000000 ]  - [   0.0000551800000000, -0.0000001800000000,  0.0000143200000000 ]  - [  -0.0000548000000000,  0.0000432700000000, -0.0020447300000000 ]  - [  -0.0001248000000000,  0.0000002600000000, -0.0000196600000000 ]  - [   0.0000572600000000,  0.0000163100000000, -0.0005733600000000 ]  - [   0.0000573200000000, -0.0000161100000000,  0.0005454000000000 ]  - [  -0.0000068300000000, -0.0000482900000000,  0.0002797800000000 ]  - [  -0.0000071600000000,  0.0000482900000000, -0.0003040500000000 ]  - [   0.0000177900000000,  0.0000000600000000, -0.0000109200000000 ]  - [  -0.0000307500000000, -0.0000397300000000, -0.0002811100000000 ]  - [   0.0000650200000000, -0.0000002200000000, -0.0000108100000000 ]  - [  -0.0000306600000000,  0.0000395200000000,  0.0002535600000000 ]  - [  -0.0569363000000000,  0.0002549700000000, -0.0028284000000000 ]  - [   0.0025641900000000,  0.0001952200000000, -0.0016455600000000 ]  - [   0.0025315500000000, -0.0001912000000000,  0.0016029100000000 ]  - [   0.0000460500000000, -0.0012458400000000,  0.0004703500000000 ]  - [   0.0000467500000000,  0.0012563500000000, -0.0004986200000000 ]  - [   0.0004128100000000,  0.0000005400000000, -0.0000084100000000 ]  - [   0.0000474800000000, -0.0016468000000000, -0.0011577200000000 ]  - [   0.0004128000000000, -0.0000019000000000, -0.0000082900000000 ]  - [   0.0000453300000000,  0.0016283000000000,  0.0011218900000000 ]  - [   0.0000715200000000, -0.0000000100000000,  0.0000162200000000 ]  - [  -0.0000276700000000, -0.0000021800000000,  0.0003916500000000 ]  - [  -0.0000245500000000,  0.0000021900000000, -0.0003668300000000 ]  - [   0.0000014700000000,  0.0000120400000000, -0.0001895400000000 ]  - [   0.0000001400000000, -0.0000146600000000,  0.0002116800000000 ]  - [  -0.0000078500000000,  0.0000002000000000,  0.0000105500000000 ]  - [   0.0000000800000000,  0.0000189200000000,  0.0001907600000000 ]  - [  -0.0000078600000000, -0.0000003100000000,  0.0000102700000000 ]  - [   0.0000015900000000, -0.0000165200000000, -0.0001661300000000 ]  - [  -0.0271321500000000,  0.0000075600000000,  0.0001812400000000 ]  - [  -0.0000843300000000,  0.0000525900000000, -0.0020397200000000 ]  - [  -0.0000701400000000, -0.0000497200000000,  0.0019826300000000 ]  - [   0.0000115500000000, -0.0000077300000000,  0.0007586500000000 ]  - [   0.0000059800000000, -0.0000047600000000, -0.0007966700000000 ]  - [  -0.0000001900000000,  0.0000004600000000, -0.0000132500000000 ]  - [  -0.0000844900000000,  0.0000549200000000, -0.0012563500000000 ]  - [   0.0000680200000000, -0.0000004400000000, -0.0000131100000000 ]  - [  -0.0000751400000000, -0.0000443600000000,  0.0012106300000000 ]  - [  -0.0006869900000000,  0.0000007700000000,  0.0000119900000000 ]  - [   0.0003094200000000,  0.0000742600000000,  0.0003914900000000 ]  - [   0.0003070400000000, -0.0000730700000000, -0.0003752100000000 ]  - [  -0.0000327200000000, -0.0002692000000000, -0.0002065900000000 ]  - [  -0.0000327100000000,  0.0002718100000000,  0.0002201200000000 ]  - [   0.0000930200000000,  0.0000002600000000,  0.0000061700000000 ]  - [  -0.0001598900000000, -0.0001984700000000,  0.0001780000000000 ]  - [   0.0003345100000000, -0.0000011100000000,  0.0000060000000000 ]  - [  -0.0001608200000000,  0.0001951800000000, -0.0001617600000000 ]  - [   0.0021802400000000,  0.0043143400000000,  0.0057806300000000 ]  - [   0.0011281400000000,  0.0000023500000000, -0.0000068000000000 ]  - [   0.0021590600000000, -0.0042574700000000, -0.0057411400000000 ]  - [   0.0004571100000000, -0.0000057400000000, -0.0000093600000000 ]  - [  -0.0001574600000000,  0.0007426100000000, -0.0000203000000000 ]  - [  -0.0001561400000000, -0.0007411000000000,  0.0000039300000000 ]  - [   0.0054716300000000, -0.0028964300000000,  0.0010401700000000 ]  - [   0.0054235900000000,  0.0028661100000000, -0.0010487300000000 ]  - [  -0.0052537000000000, -0.0000179200000000, -0.0000088500000000 ]  - [   0.0000037500000000,  0.0000187800000000,  0.0002104100000000 ]  - [   0.0000029400000000,  0.0000025400000000, -0.0000067300000000 ]  - [   0.0000072800000000, -0.0000199700000000, -0.0001986100000000 ]  - [   0.0000382800000000, -0.0000048200000000, -0.0000053000000000 ]  - [  -0.0000160000000000,  0.0000112100000000,  0.0000327100000000 ]  - [  -0.0000195300000000, -0.0000127300000000, -0.0000450000000000 ]  - [  -0.0000226600000000,  0.0000351700000000, -0.0000530900000000 ]  - [  -0.0000135900000000, -0.0000300200000000,  0.0000417400000000 ]  - [  -0.0000280600000000,  0.0000022500000000,  0.0000053600000000 ]  - [  -0.0000444400000000, -0.0000224500000000,  0.0000273700000000 ]  - [  -0.0003280400000000, -0.0001031700000000, -0.0000403600000000 ]  - [  -0.0002928900000000,  0.0000851300000000,  0.0000616600000000 ]  - [   0.0000561200000000, -0.0001790400000000, -0.0000408900000000 ]  - [   0.0000553900000000,  0.0001768900000000,  0.0000578000000000 ]  - [  -0.0001473900000000,  0.0000184600000000,  0.0000110100000000 ]  - [  -0.0006010800000000,  0.0003210400000000,  0.0003917100000000 ]  - [   0.0003640100000000, -0.0000009000000000,  0.0000071800000000 ]  - [  -0.0005586000000000, -0.0002972200000000, -0.0003362600000000 ]  - [  -0.0013292300000000,  0.0000045500000000,  0.0000105600000000 ]  - [   0.0008632700000000,  0.0004598200000000,  0.0005547200000000 ]  - [   0.0008577500000000, -0.0004556300000000, -0.0005308300000000 ]  - [  -0.0000545400000000, -0.0006483400000000,  0.0002432800000000 ]  - [  -0.0000552600000000,  0.0006415200000000, -0.0002217200000000 ]  - [   0.0000678300000000, -0.0000040300000000,  0.0000109100000000 ]  - [  -0.0008395700000000, -0.0002801500000000,  0.0038459700000000 ]  - [   0.0010621600000000,  0.0000022100000000,  0.0000131500000000 ]  - [  -0.0008368800000000,  0.0002867500000000, -0.0037704800000000 ]  - [   0.0007104300000000,  0.0003804600000000,  0.0008060700000000 ]  - [  -0.0007276600000000, -0.0000061600000000,  0.0000018400000000 ]  - [   0.0005812400000000, -0.0003109000000000, -0.0008875800000000 ]  - [   0.0002021500000000,  0.0000131800000000, -0.0000023000000000 ]  - [  -0.0001119400000000, -0.0003547000000000, -0.0000544400000000 ]  - [  -0.0001064800000000,  0.0003592800000000,  0.0000514100000000 ]  - [  -0.0001693100000000,  0.0002169800000000,  0.0006866900000000 ]  - [  -0.0001914000000000, -0.0002246500000000, -0.0006848800000000 ]  - [   0.0000470600000000, -0.0000727400000000, -0.0000430100000000 ]  - [   0.0005301500000000, -0.0009387000000000, -0.0018488800000000 ]  - [  -0.0009598600000000, -0.0000017900000000, -0.0000148600000000 ]  - [   0.0005313900000000,  0.0009251000000000,  0.0018074300000000 ]  - [  -0.0001527500000000,  0.0000006000000000, -0.0000122700000000 ]  - [   0.0000701000000000, -0.0005935300000000, -0.0001007200000000 ]  - [   0.0000695700000000,  0.0005952800000000,  0.0000715500000000 ]  - [  -0.0010416900000000,  0.0005148700000000, -0.0012918700000000 ]  - [  -0.0010333800000000, -0.0005071000000000,  0.0012530800000000 ]  - [   0.0021447700000000,  0.0000072300000000, -0.0000214000000000 ]  - [   0.0076991100000000, -0.0000342800000000, -0.0000021500000000 ]  - [  -0.0024731500000000, -0.0018394800000000, -0.0002832300000000 ]  - [  -0.0024587600000000,  0.0018210700000000,  0.0003031600000000 ]  - [  -0.0002870600000000,  0.0019533400000000,  0.0002459500000000 ]  - [  -0.0002812500000000, -0.0019377500000000, -0.0002201400000000 ]  - [   0.0007042000000000,  0.0000080600000000,  0.0000126700000000 ]  - [   0.0063274100000000,  0.0007677200000000, -0.0005136600000000 ]  - [  -0.0036540800000000, -0.0000016500000000,  0.0000097900000000 ]  - [   0.0060289400000000, -0.0009870500000000,  0.0007741500000000 ]  - [   0.0000072600000000,  0.0000034200000000, -0.0000064700000000 ]  - [  -0.0000015100000000, -0.0000521200000000, -0.0001696800000000 ]  - [  -0.0000073400000000,  0.0000536600000000,  0.0001682500000000 ]  - [  -0.0000410800000000,  0.0000709300000000,  0.0000475400000000 ]  - [  -0.0000414600000000, -0.0000694300000000, -0.0000426300000000 ]  - [   0.0000872900000000, -0.0000026900000000, -0.0000011000000000 ]  - [   0.0000693700000000, -0.0000358500000000, -0.0001926200000000 ]  - [  -0.0001626900000000, -0.0000004000000000,  0.0000028600000000 ]  - [   0.0000622300000000,  0.0000314800000000,  0.0001784200000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.6232967200000000 ]  - [   0.0000873800000000,  0.0001576800000000,  0.0084899800000000 ]  - [  -0.0000873800000000,  0.0001576800000000,  0.0084899800000000 ]  - [  -0.0001802400000000, -0.0000031700000000,  0.0084899800000000 ]  - [   0.0001802400000000, -0.0000031700000000,  0.0084899800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042630700000000 ]  - [  -0.0000928600000000, -0.0001545100000000,  0.0084899800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043625500000000 ]  - [   0.0000928600000000, -0.0001545100000000,  0.0084899800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056191700000000 ]  - [  -0.0000004200000000,  0.0000059700000000, -0.0039108400000000 ]  - [   0.0000004200000000,  0.0000059700000000, -0.0039108400000000 ]  - [  -0.0000049600000000, -0.0000033500000000, -0.0039108400000000 ]  - [   0.0000049600000000, -0.0000033500000000, -0.0039108400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032259500000000 ]  - [  -0.0000053800000000, -0.0000026200000000, -0.0039108400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032869000000000 ]  - [   0.0000053800000000, -0.0000026200000000, -0.0039108400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.7393044500000000 ]  - [   0.0016087500000000,  0.0003779000000000, -0.0056917200000000 ]  - [  -0.0016087500000000,  0.0003779000000000, -0.0056917200000000 ]  - [  -0.0011316400000000,  0.0012042700000000, -0.0056917200000000 ]  - [   0.0011316400000000,  0.0012042700000000, -0.0056917200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033447700000000 ]  - [   0.0004771100000000, -0.0015821600000000, -0.0056917200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033507400000000 ]  - [  -0.0004771100000000, -0.0015821600000000, -0.0056917200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040349800000000 ]  - [  -0.0003770300000000,  0.0000129700000000,  0.0028952100000000 ]  - [   0.0003770300000000,  0.0000129700000000,  0.0028952100000000 ]  - [   0.0001772900000000, -0.0003330000000000,  0.0028952100000000 ]  - [  -0.0001772900000000, -0.0003330000000000,  0.0028952100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024678700000000 ]  - [  -0.0001997500000000,  0.0003200400000000,  0.0028952100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024730000000000 ]  - [   0.0001997500000000,  0.0003200400000000,  0.0028952100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0989900600000000 ]  - [  -0.0020021600000000,  0.0002616800000000, -0.0054913600000000 ]  - [   0.0020021600000000,  0.0002616800000000, -0.0054913600000000 ]  - [   0.0007744500000000, -0.0018647600000000, -0.0054913600000000 ]  - [  -0.0007744500000000, -0.0018647600000000, -0.0054913600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032117400000000 ]  - [  -0.0012277000000000,  0.0016030800000000, -0.0054913600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033589700000000 ]  - [   0.0012277000000000,  0.0016030800000000, -0.0054913600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040531500000000 ]  - [   0.0003816500000000,  0.0000251800000000,  0.0028954600000000 ]  - [  -0.0003816500000000,  0.0000251800000000,  0.0028954600000000 ]  - [  -0.0002126400000000,  0.0003179300000000,  0.0028954600000000 ]  - [   0.0002126400000000,  0.0003179300000000,  0.0028954600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024342700000000 ]  - [   0.0001690200000000, -0.0003431100000000,  0.0028954600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025030400000000 ]  - [  -0.0001690200000000, -0.0003431100000000,  0.0028954600000000 ]  - [   0.0074978100000000,  0.0043288700000000,  0.0062937700000000 ]  - [   0.0000000000000000,  0.0000218500000000, -0.0001101900000000 ]  - [  -0.0074978100000000,  0.0043288700000000,  0.0062937700000000 ]  - [   0.0000000000000000,  0.0069503400000000,  0.0010439900000000 ]  - [   0.0000189200000000, -0.0000109200000000, -0.0001101900000000 ]  - [  -0.0000189200000000, -0.0000109200000000, -0.0001101900000000 ]  - [   0.0060191700000000, -0.0034751700000000,  0.0010439900000000 ]  - [  -0.0060191700000000, -0.0034751700000000,  0.0010439900000000 ]  - [   0.0000000000000000, -0.0086577300000000,  0.0062937700000000 ]  - [  -0.0004420500000000, -0.0002552200000000,  0.0038941400000000 ]  - [   0.0000000000000000,  0.0005200200000000,  0.0008526800000000 ]  - [   0.0004420500000000, -0.0002552200000000,  0.0038941400000000 ]  - [   0.0000000000000000, -0.0012548900000000,  0.0010453900000000 ]  - [   0.0004503500000000, -0.0002600100000000,  0.0008526800000000 ]  - [  -0.0004503500000000, -0.0002600100000000,  0.0008526800000000 ]  - [  -0.0010867700000000,  0.0006274500000000,  0.0010453900000000 ]  - [   0.0010867700000000,  0.0006274500000000,  0.0010453900000000 ]  - [   0.0000000000000000,  0.0005104300000000,  0.0038941400000000 ]  - [   0.0000000000000000, -0.0061584400000000,  0.0051092000000000 ]  - [  -0.0043259700000000, -0.0024976000000000,  0.0007876500000000 ]  - [   0.0043259700000000, -0.0024976000000000,  0.0007876500000000 ]  - [   0.0000087900000000,  0.0000050800000000,  0.0001027000000000 ]  - [  -0.0000087900000000,  0.0000050800000000,  0.0001027000000000 ]  - [   0.0000000000000000,  0.0049952000000000,  0.0007876500000000 ]  - [  -0.0053333700000000,  0.0030792200000000,  0.0051092000000000 ]  - [   0.0000000000000000, -0.0000101600000000,  0.0001027000000000 ]  - [   0.0053333700000000,  0.0030792200000000,  0.0051092000000000 ]  - [   0.0000000000000000,  0.0005497700000000,  0.0037185400000000 ]  - [   0.0011839600000000,  0.0006835600000000,  0.0009912400000000 ]  - [  -0.0011839600000000,  0.0006835600000000,  0.0009912400000000 ]  - [  -0.0005577300000000, -0.0003220100000000,  0.0008426100000000 ]  - [   0.0005577300000000, -0.0003220100000000,  0.0008426100000000 ]  - [   0.0000000000000000, -0.0013671100000000,  0.0009912400000000 ]  - [   0.0004761100000000, -0.0002748800000000,  0.0037185400000000 ]  - [   0.0000000000000000,  0.0006440200000000,  0.0008426100000000 ]  - [  -0.0004761100000000, -0.0002748800000000,  0.0037185400000000 ]  - [   0.0165385200000000,  0.0095485200000000, -0.0095633400000000 ]  - [   0.0000000000000000, -0.0009128500000000,  0.0015139500000000 ]  - [  -0.0165385200000000,  0.0095485200000000, -0.0095633400000000 ]  - [   0.0000000000000000,  0.0034061200000000,  0.0015636400000000 ]  - [  -0.0007905500000000,  0.0004564300000000,  0.0015139500000000 ]  - [   0.0007905500000000,  0.0004564300000000,  0.0015139500000000 ]  - [   0.0029497800000000, -0.0017030600000000,  0.0015636400000000 ]  - [  -0.0029497800000000, -0.0017030600000000,  0.0015636400000000 ]  - [   0.0000000000000000, -0.0190970400000000, -0.0095633400000000 ]  - [  -0.0009537100000000, -0.0005506200000000, -0.0045479600000000 ]  - [   0.0000000000000000, -0.0001098900000000, -0.0016750100000000 ]  - [   0.0009537100000000, -0.0005506200000000, -0.0045479600000000 ]  - [   0.0000000000000000, -0.0009149500000000, -0.0029007900000000 ]  - [  -0.0000951700000000,  0.0000549500000000, -0.0016750100000000 ]  - [   0.0000951700000000,  0.0000549500000000, -0.0016750100000000 ]  - [  -0.0007923700000000,  0.0004574800000000, -0.0029007900000000 ]  - [   0.0007923700000000,  0.0004574800000000, -0.0029007900000000 ]  - [   0.0000000000000000,  0.0011012400000000, -0.0045479600000000 ]  - [   0.0000000000000000, -0.0064851900000000,  0.0023247400000000 ]  - [  -0.0028954600000000, -0.0016716900000000,  0.0022345300000000 ]  - [   0.0028954600000000, -0.0016716900000000,  0.0022345300000000 ]  - [   0.0012511000000000,  0.0007223200000000,  0.0021440500000000 ]  - [  -0.0012511000000000,  0.0007223200000000,  0.0021440500000000 ]  - [   0.0000000000000000,  0.0033433800000000,  0.0022345300000000 ]  - [  -0.0056163400000000,  0.0032426000000000,  0.0023247400000000 ]  - [   0.0000000000000000, -0.0014446500000000,  0.0021440500000000 ]  - [   0.0056163400000000,  0.0032426000000000,  0.0023247400000000 ]  - [   0.0000000000000000,  0.0010948400000000, -0.0043383800000000 ]  - [   0.0008448400000000,  0.0004877700000000, -0.0026891100000000 ]  - [  -0.0008448400000000,  0.0004877700000000, -0.0026891100000000 ]  - [   0.0000627200000000,  0.0000362100000000, -0.0017368100000000 ]  - [  -0.0000627200000000,  0.0000362100000000, -0.0017368100000000 ]  - [   0.0000000000000000, -0.0009755400000000, -0.0026891100000000 ]  - [   0.0009481600000000, -0.0005474200000000, -0.0043383800000000 ]  - [   0.0000000000000000, -0.0000724200000000, -0.0017368100000000 ]  - [  -0.0009481600000000, -0.0005474200000000, -0.0043383800000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.6723819100000000 ]  - [  -0.0000838600000000, -0.0001584200000000, -0.0085864100000000 ]  - [   0.0000838600000000, -0.0001584200000000, -0.0085864100000000 ]  - [   0.0001791300000000,  0.0000065900000000, -0.0085864100000000 ]  - [  -0.0001791300000000,  0.0000065900000000, -0.0085864100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043066700000000 ]  - [   0.0000952700000000,  0.0001518300000000, -0.0085864100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043921600000000 ]  - [  -0.0000952700000000,  0.0001518300000000, -0.0085864100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056689100000000 ]  - [   0.0000007700000000, -0.0000060200000000,  0.0039438500000000 ]  - [  -0.0000007700000000, -0.0000060200000000,  0.0039438500000000 ]  - [   0.0000048300000000,  0.0000036700000000,  0.0039438500000000 ]  - [  -0.0000048300000000,  0.0000036700000000,  0.0039438500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032568300000000 ]  - [   0.0000056000000000,  0.0000023500000000,  0.0039438500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033061200000000 ]  - [  -0.0000056000000000,  0.0000023500000000,  0.0039438500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.7894095300000000 ]  - [  -0.0016397500000000, -0.0003788900000000,  0.0057482100000000 ]  - [   0.0016397500000000, -0.0003788900000000,  0.0057482100000000 ]  - [   0.0011480000000000, -0.0012306200000000,  0.0057482100000000 ]  - [  -0.0011480000000000, -0.0012306200000000,  0.0057482100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033771700000000 ]  - [  -0.0004917500000000,  0.0016095100000000,  0.0057482100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033764100000000 ]  - [   0.0004917500000000,  0.0016095100000000,  0.0057482100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0040691200000000 ]  - [   0.0003808700000000, -0.0000130700000000, -0.0029181300000000 ]  - [  -0.0003808700000000, -0.0000130700000000, -0.0029181300000000 ]  - [  -0.0001791200000000,  0.0003363700000000, -0.0029181300000000 ]  - [   0.0001791200000000,  0.0003363700000000, -0.0029181300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024894900000000 ]  - [   0.0002017500000000, -0.0003233100000000, -0.0029181300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024891600000000 ]  - [  -0.0002017500000000, -0.0003233100000000, -0.0029181300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1006723400000000 ]  - [   0.0020200500000000, -0.0002649900000000,  0.0055456800000000 ]  - [  -0.0020200500000000, -0.0002649900000000,  0.0055456800000000 ]  - [  -0.0007805400000000,  0.0018819100000000,  0.0055456800000000 ]  - [   0.0007805400000000,  0.0018819100000000,  0.0055456800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032384800000000 ]  - [   0.0012395100000000, -0.0016169200000000,  0.0055456800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033816700000000 ]  - [  -0.0012395100000000, -0.0016169200000000,  0.0055456800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0040915900000000 ]  - [  -0.0003847000000000, -0.0000255200000000, -0.0029223300000000 ]  - [   0.0003847000000000, -0.0000255200000000, -0.0029223300000000 ]  - [   0.0002144500000000, -0.0003204000000000, -0.0029223300000000 ]  - [  -0.0002144500000000, -0.0003204000000000, -0.0029223300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024581500000000 ]  - [  -0.0001702500000000,  0.0003459200000000, -0.0029223300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025223800000000 ]  - [   0.0001702500000000,  0.0003459200000000, -0.0029223300000000 ]  - [  -0.0074859000000000, -0.0043219900000000, -0.0063131100000000 ]  - [   0.0000000000000000, -0.0000221900000000,  0.0000891000000000 ]  - [   0.0074859000000000, -0.0043219900000000, -0.0063131100000000 ]  - [   0.0000000000000000, -0.0069546600000000, -0.0010628800000000 ]  - [  -0.0000192200000000,  0.0000111000000000,  0.0000891000000000 ]  - [   0.0000192200000000,  0.0000111000000000,  0.0000891000000000 ]  - [  -0.0060229100000000,  0.0034773300000000, -0.0010628800000000 ]  - [   0.0060229100000000,  0.0034773300000000, -0.0010628800000000 ]  - [   0.0000000000000000,  0.0086439800000000, -0.0063131100000000 ]  - [   0.0004459400000000,  0.0002574600000000, -0.0039531800000000 ]  - [   0.0000000000000000, -0.0005252300000000, -0.0008754900000000 ]  - [  -0.0004459400000000,  0.0002574600000000, -0.0039531800000000 ]  - [   0.0000000000000000,  0.0012680500000000, -0.0010703600000000 ]  - [  -0.0004548600000000,  0.0002626100000000, -0.0008754900000000 ]  - [   0.0004548600000000,  0.0002626100000000, -0.0008754900000000 ]  - [   0.0010981700000000, -0.0006340300000000, -0.0010703600000000 ]  - [  -0.0010981700000000, -0.0006340300000000, -0.0010703600000000 ]  - [   0.0000000000000000, -0.0005149200000000, -0.0039531800000000 ]  - [   0.0000000000000000,  0.0062226600000000, -0.0051444500000000 ]  - [   0.0043722500000000,  0.0025243200000000, -0.0007728200000000 ]  - [  -0.0043722500000000,  0.0025243200000000, -0.0007728200000000 ]  - [  -0.0000096700000000, -0.0000055800000000, -0.0000826400000000 ]  - [   0.0000096700000000, -0.0000055800000000, -0.0000826400000000 ]  - [   0.0000000000000000, -0.0050486400000000, -0.0007728200000000 ]  - [   0.0053889800000000, -0.0031113300000000, -0.0051444500000000 ]  - [   0.0000000000000000,  0.0000111600000000, -0.0000826400000000 ]  - [  -0.0053889800000000, -0.0031113300000000, -0.0051444500000000 ]  - [   0.0000000000000000, -0.0005496000000000, -0.0037451800000000 ]  - [  -0.0011907400000000, -0.0006874700000000, -0.0009840500000000 ]  - [   0.0011907400000000, -0.0006874700000000, -0.0009840500000000 ]  - [   0.0005602300000000,  0.0003234500000000, -0.0008339000000000 ]  - [  -0.0005602300000000,  0.0003234500000000, -0.0008339000000000 ]  - [   0.0000000000000000,  0.0013749500000000, -0.0009840500000000 ]  - [  -0.0004759700000000,  0.0002748000000000, -0.0037451800000000 ]  - [   0.0000000000000000, -0.0006468900000000, -0.0008339000000000 ]  - [   0.0004759700000000,  0.0002748000000000, -0.0037451800000000 ]  - [  -0.0167000500000000, -0.0096417800000000,  0.0096205900000000 ]  - [   0.0000000000000000,  0.0009248000000000, -0.0015543300000000 ]  - [   0.0167000500000000, -0.0096417800000000,  0.0096205900000000 ]  - [   0.0000000000000000, -0.0034390200000000, -0.0016046000000000 ]  - [   0.0008009000000000, -0.0004624000000000, -0.0015543300000000 ]  - [  -0.0008009000000000, -0.0004624000000000, -0.0015543300000000 ]  - [  -0.0029782800000000,  0.0017195100000000, -0.0016046000000000 ]  - [   0.0029782800000000,  0.0017195100000000, -0.0016046000000000 ]  - [   0.0000000000000000,  0.0192835600000000,  0.0096205900000000 ]  - [   0.0009632300000000,  0.0005561200000000,  0.0045637600000000 ]  - [   0.0000000000000000,  0.0001113200000000,  0.0016717300000000 ]  - [  -0.0009632300000000,  0.0005561200000000,  0.0045637600000000 ]  - [   0.0000000000000000,  0.0009232600000000,  0.0029027400000000 ]  - [   0.0000964100000000, -0.0000556600000000,  0.0016717300000000 ]  - [  -0.0000964100000000, -0.0000556600000000,  0.0016717300000000 ]  - [   0.0007995700000000, -0.0004616300000000,  0.0029027400000000 ]  - [  -0.0007995700000000, -0.0004616300000000,  0.0029027400000000 ]  - [   0.0000000000000000, -0.0011122400000000,  0.0045637600000000 ]  - [   0.0000000000000000,  0.0068919600000000, -0.0020638000000000 ]  - [   0.0029198600000000,  0.0016857800000000, -0.0022175800000000 ]  - [  -0.0029198600000000,  0.0016857800000000, -0.0022175800000000 ]  - [  -0.0012512200000000, -0.0007223900000000, -0.0021301500000000 ]  - [   0.0012512200000000, -0.0007223900000000, -0.0021301500000000 ]  - [   0.0000000000000000, -0.0033715600000000, -0.0022175800000000 ]  - [   0.0059686100000000, -0.0034459800000000, -0.0020638000000000 ]  - [   0.0000000000000000,  0.0014447900000000, -0.0021301500000000 ]  - [  -0.0059686100000000, -0.0034459800000000, -0.0020638000000000 ]  - [   0.0000000000000000, -0.0011071100000000,  0.0043952000000000 ]  - [  -0.0008557900000000, -0.0004940900000000,  0.0027294200000000 ]  - [   0.0008557900000000, -0.0004940900000000,  0.0027294200000000 ]  - [  -0.0000628800000000, -0.0000363000000000,  0.0017668400000000 ]  - [   0.0000628800000000, -0.0000363000000000,  0.0017668400000000 ]  - [   0.0000000000000000,  0.0009881800000000,  0.0027294200000000 ]  - [  -0.0009587900000000,  0.0005535600000000,  0.0043952000000000 ]  - [   0.0000000000000000,  0.0000726000000000,  0.0017668400000000 ]  - [   0.0009587900000000,  0.0005535600000000,  0.0043952000000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010342100000000,  0.0009708400000000, -0.0067161700000000 ]  - [   0.0010322700000000, -0.0009769900000000,  0.0067041300000000 ]  - [   0.0001181300000000, -0.0000003600000000,  0.0000047200000000 ]  - [   0.0013845500000000, -0.0006956900000000, -0.0056396800000000 ]  - [  -0.0006536300000000, -0.0000077700000000, -0.0000076300000000 ]  - [   0.0013971800000000,  0.0007012100000000,  0.0057023700000000 ]  - [   0.0001810700000000,  0.0000054100000000, -0.0000158900000000 ]  - [  -0.0000389600000000, -0.0000901800000000, -0.0000414200000000 ]  - [  -0.0000382000000000,  0.0000908200000000,  0.0000476000000000 ]  - [  -0.0001478800000000,  0.0000992100000000,  0.0005164600000000 ]  - [  -0.0001525600000000, -0.0000987600000000, -0.0004795100000000 ]  - [   0.0002467300000000, -0.0000001700000000, -0.0000020600000000 ]  - [   0.0002170500000000, -0.0001226900000000,  0.0015115200000000 ]  - [  -0.0003216800000000, -0.0000016700000000,  0.0000116600000000 ]  - [   0.0002178300000000,  0.0001233400000000, -0.0015189900000000 ]  - [   0.0000043800000000,  0.0000010100000000,  0.0000059500000000 ]  - [  -0.0000110900000000, -0.0001480400000000,  0.0005853700000000 ]  - [  -0.0000100900000000,  0.0001491300000000, -0.0005858700000000 ]  - [   0.0021791000000000,  0.0042669400000000,  0.0074757400000000 ]  - [   0.0021608700000000, -0.0043049600000000, -0.0075077400000000 ]  - [   0.0011282700000000, -0.0000033400000000, -0.0000040000000000 ]  - [   0.0054162200000000, -0.0028636400000000,  0.0059893900000000 ]  - [  -0.0052534100000000, -0.0000195300000000,  0.0000169700000000 ]  - [   0.0054799800000000,  0.0028990000000000, -0.0060537900000000 ]  - [   0.0004574400000000,  0.0000212900000000,  0.0000193600000000 ]  - [  -0.0001578400000000, -0.0007402900000000, -0.0000214200000000 ]  - [  -0.0001551600000000,  0.0007432800000000,  0.0000154500000000 ]  - [   0.0000051400000000,  0.0000190800000000, -0.0004561000000000 ]  - [   0.0000064900000000, -0.0000196500000000,  0.0004322700000000 ]  - [   0.0000032600000000, -0.0000004100000000,  0.0000011800000000 ]  - [  -0.0000170100000000,  0.0000322400000000, -0.0010904300000000 ]  - [  -0.0000277700000000,  0.0000004600000000, -0.0000087500000000 ]  - [  -0.0000185600000000, -0.0000328400000000,  0.0010946500000000 ]  - [   0.0000385400000000,  0.0000004100000000, -0.0000049000000000 ]  - [  -0.0000172000000000, -0.0000120200000000, -0.0004527000000000 ]  - [  -0.0000176600000000,  0.0000119500000000,  0.0004522200000000 ]  - [  -0.0005798400000000, -0.0003085400000000,  0.0053597900000000 ]  - [  -0.0005808200000000,  0.0003097700000000, -0.0053624900000000 ]  - [   0.0003633700000000, -0.0000007200000000, -0.0000026000000000 ]  - [  -0.0003072600000000,  0.0000930600000000,  0.0043237800000000 ]  - [  -0.0000448500000000,  0.0000025700000000,  0.0000090600000000 ]  - [  -0.0003148600000000, -0.0000954900000000, -0.0043744900000000 ]  - [  -0.0001477400000000, -0.0000004000000000,  0.0000130700000000 ]  - [   0.0000552200000000, -0.0001776300000000,  0.0000075300000000 ]  - [   0.0000551100000000,  0.0001782200000000, -0.0000108000000000 ]  - [  -0.0008223000000000,  0.0002871600000000, -0.0004861500000000 ]  - [  -0.0008549900000000, -0.0002799000000000,  0.0004661800000000 ]  - [   0.0010614500000000, -0.0000009700000000,  0.0000016400000000 ]  - [   0.0008591600000000, -0.0004568700000000, -0.0011839100000000 ]  - [  -0.0013297700000000, -0.0000159200000000, -0.0000064000000000 ]  - [   0.0008608100000000,  0.0004586400000000,  0.0011908700000000 ]  - [   0.0000672600000000,  0.0000047000000000, -0.0000038100000000 ]  - [  -0.0000576800000000, -0.0006425300000000, -0.0005589300000000 ]  - [  -0.0000531000000000,  0.0006471800000000,  0.0005592400000000 ]  - [  -0.1054793600000000, -0.0012027300000000,  0.0005533300000000 ]  - [   0.0078700000000000, -0.0031473700000000,  0.0015027900000000 ]  - [   0.0078200200000000,  0.0031209900000000, -0.0015004600000000 ]  - [  -0.0014088500000000, -0.0084487900000000, -0.0016851400000000 ]  - [  -0.0014274000000000,  0.0085148000000000,  0.0017016000000000 ]  - [   0.0014995200000000,  0.0000078100000000, -0.0000051300000000 ]  - [  -0.0014452400000000, -0.0022052500000000, -0.0002017600000000 ]  - [   0.0014995700000000,  0.0000015400000000, -0.0000073200000000 ]  - [  -0.0013907700000000,  0.0022216700000000,  0.0001821400000000 ]  - [  -0.0003718300000000, -0.0000011400000000, -0.0000126100000000 ]  - [   0.0001939100000000, -0.0000090400000000, -0.0002569100000000 ]  - [   0.0001972800000000,  0.0000080700000000,  0.0002324200000000 ]  - [  -0.0000947800000000, -0.0001770500000000,  0.0000603700000000 ]  - [  -0.0000959200000000,  0.0001760000000000, -0.0000844100000000 ]  - [   0.0001879000000000,  0.0000015300000000, -0.0000119800000000 ]  - [  -0.0000965500000000, -0.0001575200000000, -0.0001838500000000 ]  - [   0.0001877100000000,  0.0000001400000000, -0.0000114700000000 ]  - [  -0.0000939400000000,  0.0001611900000000,  0.0001608800000000 ]  - [  -0.0005737000000000, -0.0000403700000000,  0.0005053200000000 ]  - [  -0.0005786100000000,  0.0000382200000000, -0.0004922800000000 ]  - [   0.0010859100000000, -0.0000011400000000,  0.0000055500000000 ]  - [   0.0002544200000000, -0.0004780200000000,  0.0001209400000000 ]  - [  -0.0004901900000000,  0.0000003900000000,  0.0000080200000000 ]  - [   0.0002528500000000,  0.0004828800000000, -0.0001066100000000 ]  - [  -0.0006443100000000, -0.0000003100000000,  0.0000084200000000 ]  - [   0.0003191700000000, -0.0004698200000000, -0.0003352000000000 ]  - [   0.0003212000000000,  0.0004657300000000,  0.0003501900000000 ]  - [   0.0076787600000000, -0.0069638900000000, -0.0143893100000000 ]  - [   0.0076758900000000,  0.0070293100000000,  0.0145831400000000 ]  - [   0.0029430700000000,  0.0000019800000000,  0.0000174900000000 ]  - [   0.0013804000000000, -0.0008930600000000, -0.0003065000000000 ]  - [  -0.0029324300000000, -0.0000000600000000,  0.0000144800000000 ]  - [   0.0013844200000000,  0.0009090600000000,  0.0003329200000000 ]  - [  -0.0044406100000000,  0.0000627700000000, -0.0000292700000000 ]  - [   0.0003393500000000, -0.0018994500000000,  0.0006518200000000 ]  - [   0.0003503200000000,  0.0018848200000000, -0.0006254300000000 ]  - [   0.0024749000000000,  0.0000003700000000, -0.0000081400000000 ]  - [  -0.0012641800000000,  0.0002768600000000,  0.0014575100000000 ]  - [  -0.0012678800000000, -0.0002660100000000, -0.0014628300000000 ]  - [   0.0008130600000000,  0.0008108700000000, -0.0006321700000000 ]  - [   0.0008244200000000, -0.0008139000000000,  0.0006247100000000 ]  - [  -0.0016562500000000, -0.0000080700000000, -0.0000013400000000 ]  - [   0.0002479700000000,  0.0012633600000000,  0.0008241000000000 ]  - [  -0.0004791200000000,  0.0000007900000000, -0.0000053600000000 ]  - [   0.0002416600000000, -0.0012636600000000, -0.0008397900000000 ]  - [   0.0187419200000000,  0.0000211700000000,  0.0000005300000000 ]  - [  -0.0048949700000000,  0.0020348100000000, -0.0031891500000000 ]  - [  -0.0048978900000000, -0.0020209100000000,  0.0031424400000000 ]  - [   0.0010146100000000,  0.0045440500000000,  0.0025382800000000 ]  - [   0.0010230100000000, -0.0045427900000000, -0.0025715800000000 ]  - [  -0.0018705800000000, -0.0000069000000000, -0.0000133800000000 ]  - [   0.0002618800000000,  0.0018250100000000, -0.0006161700000000 ]  - [  -0.0008486600000000, -0.0000013200000000, -0.0000118500000000 ]  - [   0.0002176000000000, -0.0018491800000000,  0.0006052000000000 ]  - [   0.0270516500000000, -0.0081717400000000,  0.0070984200000000 ]  - [   0.0286391100000000,  0.0091885200000000, -0.0077470400000000 ]  - [  -0.0075021700000000, -0.0000013600000000,  0.0000036400000000 ]  - [  -0.0023102600000000,  0.0029676500000000, -0.0000027500000000 ]  - [   0.0046427200000000, -0.0000021100000000,  0.0000119600000000 ]  - [  -0.0023288700000000, -0.0030164700000000,  0.0000126700000000 ]  - [   0.0128153800000000,  0.0000036200000000, -0.0000089300000000 ]  - [  -0.0027430200000000,  0.0042841500000000,  0.0002675300000000 ]  - [  -0.0027503800000000, -0.0042484400000000, -0.0002499800000000 ]  - [   0.0003691900000000, -0.0000248900000000,  0.0000487500000000 ]  - [   0.0003756400000000,  0.0000297500000000, -0.0000220900000000 ]  - [  -0.0007389800000000,  0.0000006100000000,  0.0000098200000000 ]  - [  -0.0001870800000000,  0.0003160600000000,  0.0002440700000000 ]  - [   0.0003815900000000,  0.0000013300000000,  0.0000111300000000 ]  - [  -0.0001874200000000, -0.0003206600000000, -0.0002234600000000 ]  - [   0.0003248300000000, -0.0000021400000000,  0.0000140500000000 ]  - [  -0.0001519500000000,  0.0003092900000000,  0.0002022900000000 ]  - [  -0.0001578400000000, -0.0003105900000000, -0.0001788200000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0012754600000000,  0.0007363900000000, -0.0075389600000000 ]  - [  -0.0012754600000000,  0.0007363900000000, -0.0075389600000000 ]  - [   0.0000000000000000, -0.0000046500000000, -0.0000562000000000 ]  - [   0.0002217900000000, -0.0001280500000000, -0.0008007000000000 ]  - [   0.0000000000000000, -0.0014727800000000, -0.0075389600000000 ]  - [  -0.0002217900000000, -0.0001280500000000, -0.0008007000000000 ]  - [   0.0000000000000000,  0.0002561000000000, -0.0008007000000000 ]  - [   0.0000040200000000,  0.0000023200000000, -0.0000562000000000 ]  - [  -0.0000040200000000,  0.0000023200000000, -0.0000562000000000 ]  - [  -0.0005088700000000, -0.0002938000000000, -0.0059979400000000 ]  - [   0.0005088700000000, -0.0002938000000000, -0.0059979400000000 ]  - [   0.0000000000000000, -0.0000625800000000, -0.0010576800000000 ]  - [  -0.0000984200000000,  0.0000568200000000, -0.0013449700000000 ]  - [   0.0000000000000000,  0.0005876000000000, -0.0059979400000000 ]  - [   0.0000984200000000,  0.0000568200000000, -0.0013449700000000 ]  - [   0.0000000000000000, -0.0001136400000000, -0.0013449700000000 ]  - [   0.0000542000000000,  0.0000312900000000, -0.0010576800000000 ]  - [  -0.0000542000000000,  0.0000312900000000, -0.0010576800000000 ]  - [   0.0057349400000000,  0.0033110700000000,  0.0063065500000000 ]  - [  -0.0057349400000000,  0.0033110700000000,  0.0063065500000000 ]  - [   0.0000000000000000, -0.0000128800000000, -0.0000895800000000 ]  - [   0.0010598100000000, -0.0006118800000000,  0.0010823500000000 ]  - [   0.0000000000000000, -0.0066221400000000,  0.0063065500000000 ]  - [  -0.0010598100000000, -0.0006118800000000,  0.0010823500000000 ]  - [   0.0000000000000000,  0.0012237600000000,  0.0010823500000000 ]  - [   0.0000111500000000,  0.0000064400000000, -0.0000895800000000 ]  - [  -0.0000111500000000,  0.0000064400000000, -0.0000895800000000 ]  - [   0.0002055700000000,  0.0001186800000000,  0.0039513200000000 ]  - [  -0.0002055700000000,  0.0001186800000000,  0.0039513200000000 ]  - [   0.0000000000000000,  0.0000454600000000,  0.0008714900000000 ]  - [  -0.0000486100000000,  0.0000280600000000,  0.0010634000000000 ]  - [   0.0000000000000000, -0.0002373700000000,  0.0039513200000000 ]  - [   0.0000486100000000,  0.0000280600000000,  0.0010634000000000 ]  - [   0.0000000000000000, -0.0000561200000000,  0.0010634000000000 ]  - [  -0.0000393700000000, -0.0000227300000000,  0.0008714900000000 ]  - [   0.0000393700000000, -0.0000227300000000,  0.0008714900000000 ]  - [  -0.0003625200000000, -0.0002093000000000,  0.0051190700000000 ]  - [   0.0003625200000000, -0.0002093000000000,  0.0051190700000000 ]  - [   0.0000000000000000,  0.0000577700000000,  0.0000860900000000 ]  - [   0.0000486000000000, -0.0000280600000000,  0.0007875500000000 ]  - [   0.0000000000000000,  0.0004186000000000,  0.0051190700000000 ]  - [  -0.0000486000000000, -0.0000280600000000,  0.0007875500000000 ]  - [   0.0000000000000000,  0.0000561200000000,  0.0007875500000000 ]  - [  -0.0000500300000000, -0.0000288900000000,  0.0000860900000000 ]  - [   0.0000500300000000, -0.0000288900000000,  0.0000860900000000 ]  - [  -0.0038363300000000, -0.0022149000000000,  0.0037395400000000 ]  - [   0.0038363300000000, -0.0022149000000000,  0.0037395400000000 ]  - [   0.0000000000000000, -0.0002685600000000,  0.0008298000000000 ]  - [  -0.0005442200000000,  0.0003142100000000,  0.0009775500000000 ]  - [   0.0000000000000000,  0.0044298100000000,  0.0037395400000000 ]  - [   0.0005442200000000,  0.0003142100000000,  0.0009775500000000 ]  - [   0.0000000000000000, -0.0006284100000000,  0.0009775500000000 ]  - [   0.0002325800000000,  0.0001342800000000,  0.0008298000000000 ]  - [  -0.0002325800000000,  0.0001342800000000,  0.0008298000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0959346400000000 ]  - [  -0.0015144000000000,  0.0010924000000000, -0.0033193800000000 ]  - [   0.0015144000000000,  0.0010924000000000, -0.0033193800000000 ]  - [  -0.0001888400000000, -0.0018577000000000, -0.0033193800000000 ]  - [   0.0001888400000000, -0.0018577000000000, -0.0033193800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013103500000000 ]  - [  -0.0017032400000000,  0.0007653100000000, -0.0033193800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013085200000000 ]  - [   0.0017032400000000,  0.0007653100000000, -0.0033193800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021520600000000 ]  - [   0.0002479800000000,  0.0000581100000000,  0.0012797100000000 ]  - [  -0.0002479800000000,  0.0000581100000000,  0.0012797100000000 ]  - [  -0.0001743200000000,  0.0001857000000000,  0.0012797100000000 ]  - [   0.0001743200000000,  0.0001857000000000,  0.0012797100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009511800000000 ]  - [   0.0000736600000000, -0.0002438100000000,  0.0012797100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009494400000000 ]  - [  -0.0000736600000000, -0.0002438100000000,  0.0012797100000000 ]  - [   0.0004972600000000, -0.0002870900000000,  0.0017462600000000 ]  - [  -0.0004972600000000, -0.0002870900000000,  0.0017462600000000 ]  - [   0.0000000000000000, -0.0001290500000000,  0.0009773900000000 ]  - [   0.0001117600000000,  0.0000645200000000,  0.0009773900000000 ]  - [   0.0000000000000000, -0.0003967600000000,  0.0012412900000000 ]  - [  -0.0001117600000000,  0.0000645200000000,  0.0009773900000000 ]  - [   0.0000000000000000,  0.0005741900000000,  0.0017462600000000 ]  - [  -0.0003436000000000,  0.0001983800000000,  0.0012412900000000 ]  - [   0.0003436000000000,  0.0001983800000000,  0.0012412900000000 ]  - [  -0.0145527300000000,  0.0084020200000000, -0.0001711100000000 ]  - [   0.0145527300000000,  0.0084020200000000, -0.0001711100000000 ]  - [   0.0000000000000000,  0.0003695700000000, -0.0014569100000000 ]  - [  -0.0003200600000000, -0.0001847900000000, -0.0014569100000000 ]  - [   0.0000000000000000,  0.0007376300000000, -0.0018428400000000 ]  - [   0.0003200600000000, -0.0001847900000000, -0.0014569100000000 ]  - [   0.0000000000000000, -0.0168040500000000, -0.0001711100000000 ]  - [   0.0006388100000000, -0.0003688200000000, -0.0018428400000000 ]  - [  -0.0006388100000000, -0.0003688200000000, -0.0018428400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036274300000000 ]  - [   0.0010661200000000,  0.0002589600000000, -0.0019347400000000 ]  - [  -0.0010661200000000,  0.0002589600000000, -0.0019347400000000 ]  - [  -0.0007573300000000,  0.0007938000000000, -0.0019347400000000 ]  - [   0.0007573300000000,  0.0007938000000000, -0.0019347400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012501400000000 ]  - [   0.0003087900000000, -0.0010527700000000, -0.0019347400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010438500000000 ]  - [  -0.0003087900000000, -0.0010527700000000, -0.0019347400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0375274900000000 ]  - [  -0.0040125600000000,  0.0013450600000000,  0.0014910900000000 ]  - [   0.0040125600000000,  0.0013450600000000,  0.0014910900000000 ]  - [   0.0008414200000000, -0.0041475100000000,  0.0014910900000000 ]  - [  -0.0008414200000000, -0.0041475100000000,  0.0014910900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009681500000000 ]  - [  -0.0031711400000000,  0.0028024400000000,  0.0014910900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010822000000000 ]  - [   0.0031711400000000,  0.0028024400000000,  0.0014910900000000 ]  - [   0.0057114200000000, -0.0032974900000000,  0.0182899500000000 ]  - [  -0.0057114200000000, -0.0032974900000000,  0.0182899500000000 ]  - [   0.0000000000000000,  0.0002558600000000,  0.0017292300000000 ]  - [  -0.0002215800000000, -0.0001279300000000,  0.0017292300000000 ]  - [   0.0000000000000000,  0.0014799500000000,  0.0026263000000000 ]  - [   0.0002215800000000, -0.0001279300000000,  0.0017292300000000 ]  - [   0.0000000000000000,  0.0065949800000000,  0.0182899500000000 ]  - [   0.0012816700000000, -0.0007399800000000,  0.0026263000000000 ]  - [  -0.0012816700000000, -0.0007399800000000,  0.0026263000000000 ]  - [   0.0006123800000000, -0.0003535600000000, -0.0026052100000000 ]  - [  -0.0006123800000000, -0.0003535600000000, -0.0026052100000000 ]  - [   0.0000000000000000, -0.0000721600000000, -0.0013823800000000 ]  - [   0.0000624900000000,  0.0000360800000000, -0.0013823800000000 ]  - [   0.0000000000000000, -0.0005938300000000, -0.0018325500000000 ]  - [  -0.0000624900000000,  0.0000360800000000, -0.0013823800000000 ]  - [   0.0000000000000000,  0.0007071200000000, -0.0026052100000000 ]  - [  -0.0005142700000000,  0.0002969200000000, -0.0018325500000000 ]  - [   0.0005142700000000,  0.0002969200000000, -0.0018325500000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0012822200000000, -0.0007402900000000,  0.0075472200000000 ]  - [   0.0012822200000000, -0.0007402900000000,  0.0075472200000000 ]  - [   0.0000000000000000,  0.0000045900000000,  0.0000491400000000 ]  - [  -0.0002124300000000,  0.0001226500000000,  0.0007592600000000 ]  - [   0.0000000000000000,  0.0014805800000000,  0.0075472200000000 ]  - [   0.0002124300000000,  0.0001226500000000,  0.0007592600000000 ]  - [   0.0000000000000000, -0.0002452900000000,  0.0007592600000000 ]  - [  -0.0000039800000000, -0.0000023000000000,  0.0000491400000000 ]  - [   0.0000039800000000, -0.0000023000000000,  0.0000491400000000 ]  - [   0.0005025700000000,  0.0002901600000000,  0.0059323200000000 ]  - [  -0.0005025700000000,  0.0002901600000000,  0.0059323200000000 ]  - [   0.0000000000000000,  0.0000626600000000,  0.0010581800000000 ]  - [   0.0000985900000000, -0.0000569200000000,  0.0013478700000000 ]  - [   0.0000000000000000, -0.0005803200000000,  0.0059323200000000 ]  - [  -0.0000985900000000, -0.0000569200000000,  0.0013478700000000 ]  - [   0.0000000000000000,  0.0001138500000000,  0.0013478700000000 ]  - [  -0.0000542600000000, -0.0000313300000000,  0.0010581800000000 ]  - [   0.0000542600000000, -0.0000313300000000,  0.0010581800000000 ]  - [  -0.0057870800000000, -0.0033411700000000, -0.0063081800000000 ]  - [   0.0057870800000000, -0.0033411700000000, -0.0063081800000000 ]  - [   0.0000000000000000,  0.0000148100000000,  0.0001047800000000 ]  - [  -0.0010289100000000,  0.0005940400000000, -0.0010314400000000 ]  - [   0.0000000000000000,  0.0066823500000000, -0.0063081800000000 ]  - [   0.0010289100000000,  0.0005940400000000, -0.0010314400000000 ]  - [   0.0000000000000000, -0.0011880800000000, -0.0010314400000000 ]  - [  -0.0000128200000000, -0.0000074000000000,  0.0001047800000000 ]  - [   0.0000128200000000, -0.0000074000000000,  0.0001047800000000 ]  - [  -0.0002036500000000, -0.0001175800000000, -0.0039016800000000 ]  - [   0.0002036500000000, -0.0001175800000000, -0.0039016800000000 ]  - [   0.0000000000000000, -0.0000445800000000, -0.0008621700000000 ]  - [   0.0000462300000000, -0.0000266900000000, -0.0010570400000000 ]  - [   0.0000000000000000,  0.0002351600000000, -0.0039016800000000 ]  - [  -0.0000462300000000, -0.0000266900000000, -0.0010570400000000 ]  - [   0.0000000000000000,  0.0000533800000000, -0.0010570400000000 ]  - [   0.0000386100000000,  0.0000222900000000, -0.0008621700000000 ]  - [  -0.0000386100000000,  0.0000222900000000, -0.0008621700000000 ]  - [   0.0003657900000000,  0.0002111900000000, -0.0051285300000000 ]  - [  -0.0003657900000000,  0.0002111900000000, -0.0051285300000000 ]  - [   0.0000000000000000, -0.0000565400000000, -0.0000906200000000 ]  - [  -0.0000532100000000,  0.0000307200000000, -0.0007665200000000 ]  - [   0.0000000000000000, -0.0004223700000000, -0.0051285300000000 ]  - [   0.0000532100000000,  0.0000307200000000, -0.0007665200000000 ]  - [   0.0000000000000000, -0.0000614400000000, -0.0007665200000000 ]  - [   0.0000489600000000,  0.0000282700000000, -0.0000906200000000 ]  - [  -0.0000489600000000,  0.0000282700000000, -0.0000906200000000 ]  - [   0.0037801400000000,  0.0021824700000000, -0.0037166200000000 ]  - [  -0.0037801400000000,  0.0021824700000000, -0.0037166200000000 ]  - [   0.0000000000000000,  0.0002682400000000, -0.0008402300000000 ]  - [   0.0005412600000000, -0.0003125000000000, -0.0009894200000000 ]  - [   0.0000000000000000, -0.0043649300000000, -0.0037166200000000 ]  - [  -0.0005412600000000, -0.0003125000000000, -0.0009894200000000 ]  - [   0.0000000000000000,  0.0006249900000000, -0.0009894200000000 ]  - [  -0.0002323000000000, -0.0001341200000000, -0.0008402300000000 ]  - [   0.0002323000000000, -0.0001341200000000, -0.0008402300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0931465300000000 ]  - [   0.0014886800000000, -0.0010845000000000,  0.0032782500000000 ]  - [  -0.0014886800000000, -0.0010845000000000,  0.0032782500000000 ]  - [   0.0001948600000000,  0.0018314900000000,  0.0032782500000000 ]  - [  -0.0001948600000000,  0.0018314900000000,  0.0032782500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012801900000000 ]  - [   0.0016835500000000, -0.0007469900000000,  0.0032782500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012817900000000 ]  - [  -0.0016835500000000, -0.0007469900000000,  0.0032782500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021553500000000 ]  - [  -0.0002420700000000, -0.0000574800000000, -0.0012891900000000 ]  - [   0.0002420700000000, -0.0000574800000000, -0.0012891900000000 ]  - [   0.0001708200000000, -0.0001809000000000, -0.0012891900000000 ]  - [  -0.0001708200000000, -0.0001809000000000, -0.0012891900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009611600000000 ]  - [  -0.0000712500000000,  0.0002383800000000, -0.0012891900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009618900000000 ]  - [   0.0000712500000000,  0.0002383800000000, -0.0012891900000000 ]  - [  -0.0005005800000000,  0.0002890100000000, -0.0017172400000000 ]  - [   0.0005005800000000,  0.0002890100000000, -0.0017172400000000 ]  - [   0.0000000000000000,  0.0001333200000000, -0.0009516600000000 ]  - [  -0.0001154600000000, -0.0000666600000000, -0.0009516600000000 ]  - [   0.0000000000000000,  0.0003952200000000, -0.0012154200000000 ]  - [   0.0001154600000000, -0.0000666600000000, -0.0009516600000000 ]  - [   0.0000000000000000, -0.0005780200000000, -0.0017172400000000 ]  - [   0.0003422700000000, -0.0001976100000000, -0.0012154200000000 ]  - [  -0.0003422700000000, -0.0001976100000000, -0.0012154200000000 ]  - [   0.0144187300000000, -0.0083246600000000,  0.0001123000000000 ]  - [  -0.0144187300000000, -0.0083246600000000,  0.0001123000000000 ]  - [   0.0000000000000000, -0.0003685900000000,  0.0014613200000000 ]  - [   0.0003192000000000,  0.0001842900000000,  0.0014613200000000 ]  - [   0.0000000000000000, -0.0007374400000000,  0.0018459200000000 ]  - [  -0.0003192000000000,  0.0001842900000000,  0.0014613200000000 ]  - [   0.0000000000000000,  0.0166493100000000,  0.0001123000000000 ]  - [  -0.0006386400000000,  0.0003687200000000,  0.0018459200000000 ]  - [   0.0006386400000000,  0.0003687200000000,  0.0018459200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036003900000000 ]  - [  -0.0010701700000000, -0.0002667500000000,  0.0019046700000000 ]  - [   0.0010701700000000, -0.0002667500000000,  0.0019046700000000 ]  - [   0.0007661000000000, -0.0007934100000000,  0.0019046700000000 ]  - [  -0.0007661000000000, -0.0007934100000000,  0.0019046700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012153900000000 ]  - [  -0.0003040700000000,  0.0010601700000000,  0.0019046700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010127400000000 ]  - [   0.0003040700000000,  0.0010601700000000,  0.0019046700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0347497200000000 ]  - [   0.0039936800000000, -0.0013463600000000, -0.0014819600000000 ]  - [  -0.0039936800000000, -0.0013463600000000, -0.0014819600000000 ]  - [  -0.0008308600000000,  0.0041318100000000, -0.0014819600000000 ]  - [   0.0008308600000000,  0.0041318100000000, -0.0014819600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009727100000000 ]  - [   0.0031628200000000, -0.0027854500000000, -0.0014819600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010887000000000 ]  - [  -0.0031628200000000, -0.0027854500000000, -0.0014819600000000 ]  - [  -0.0059136400000000,  0.0034142400000000, -0.0181985800000000 ]  - [   0.0059136400000000,  0.0034142400000000, -0.0181985800000000 ]  - [   0.0000000000000000, -0.0002580400000000, -0.0016997900000000 ]  - [   0.0002234700000000,  0.0001290200000000, -0.0016997900000000 ]  - [   0.0000000000000000, -0.0014631000000000, -0.0026114800000000 ]  - [  -0.0002234700000000,  0.0001290200000000, -0.0016997900000000 ]  - [   0.0000000000000000, -0.0068284800000000, -0.0181985800000000 ]  - [  -0.0012670800000000,  0.0007315500000000, -0.0026114800000000 ]  - [   0.0012670800000000,  0.0007315500000000, -0.0026114800000000 ]  - [  -0.0006005600000000,  0.0003467300000000,  0.0026011200000000 ]  - [   0.0006005600000000,  0.0003467300000000,  0.0026011200000000 ]  - [   0.0000000000000000,  0.0000680300000000,  0.0013904000000000 ]  - [  -0.0000589200000000, -0.0000340200000000,  0.0013904000000000 ]  - [   0.0000000000000000,  0.0005887100000000,  0.0018373900000000 ]  - [   0.0000589200000000, -0.0000340200000000,  0.0013904000000000 ]  - [   0.0000000000000000, -0.0006934700000000,  0.0026011200000000 ]  - [   0.0005098400000000, -0.0002943600000000,  0.0018373900000000 ]  - [  -0.0005098400000000, -0.0002943600000000,  0.0018373900000000 ]- atom:   91  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0003355500000000, -0.0004392700000000, -0.0216022100000000 ]  - [   0.0003929700000000,  0.0004120700000000,  0.0216053800000000 ]  - [  -0.0004870700000000,  0.0000012100000000,  0.0000144600000000 ]  - [  -0.0003988800000000,  0.0002171100000000, -0.0041994500000000 ]  - [   0.0011017500000000, -0.0000186400000000, -0.0000046700000000 ]  - [  -0.0004014500000000, -0.0002196000000000,  0.0042364300000000 ]  - [  -0.0000220000000000, -0.0000020100000000, -0.0000124100000000 ]  - [   0.0000296600000000,  0.0002967500000000, -0.0009736800000000 ]  - [   0.0000274700000000, -0.0002986300000000,  0.0009740600000000 ]  - [   0.0001602900000000, -0.0001348800000000,  0.0014267500000000 ]  - [   0.0001649100000000,  0.0001350100000000, -0.0014029100000000 ]  - [  -0.0002386100000000,  0.0000004500000000, -0.0000039900000000 ]  - [  -0.0001923800000000,  0.0000982300000000,  0.0013448000000000 ]  - [   0.0003963600000000,  0.0000012100000000,  0.0000025000000000 ]  - [  -0.0001912100000000, -0.0000987600000000, -0.0013475500000000 ]  - [  -0.0000211400000000, -0.0000017600000000,  0.0000100800000000 ]  - [   0.0000097900000000,  0.0001431800000000, -0.0000680100000000 ]  - [   0.0000091700000000, -0.0001432700000000,  0.0000661200000000 ]  - [   0.0006567700000000,  0.0003497100000000,  0.0166219300000000 ]  - [   0.0006350700000000, -0.0003418600000000, -0.0166187900000000 ]  - [  -0.0007269800000000,  0.0000005000000000, -0.0000052800000000 ]  - [  -0.0001811800000000,  0.0002202500000000,  0.0029570800000000 ]  - [   0.0000469000000000,  0.0000032300000000,  0.0000119700000000 ]  - [  -0.0001790000000000, -0.0002208100000000, -0.0029696500000000 ]  - [   0.0002019600000000,  0.0000009000000000,  0.0000132700000000 ]  - [  -0.0001092200000000,  0.0003574600000000,  0.0008000000000000 ]  - [  -0.0001082900000000, -0.0003564300000000, -0.0007895000000000 ]  - [   0.0005209100000000, -0.0009293400000000, -0.0009612600000000 ]  - [   0.0005412900000000,  0.0009349400000000,  0.0009539500000000 ]  - [  -0.0009595900000000,  0.0000019400000000,  0.0000101100000000 ]  - [  -0.0010398300000000,  0.0005097200000000, -0.0007894100000000 ]  - [   0.0021456400000000,  0.0000042700000000,  0.0000053300000000 ]  - [  -0.0010354900000000, -0.0005125000000000,  0.0007998400000000 ]  - [  -0.0001523500000000, -0.0000089400000000, -0.0000028900000000 ]  - [   0.0000715300000000,  0.0005940900000000,  0.0001044000000000 ]  - [   0.0000684400000000, -0.0005947700000000, -0.0000880400000000 ]  - [   0.0059478700000000, -0.0009896300000000,  0.0059297700000000 ]  - [   0.0064084100000000,  0.0007656000000000, -0.0056588600000000 ]  - [  -0.0036538700000000,  0.0000056300000000, -0.0000191000000000 ]  - [  -0.0024589200000000,  0.0018217200000000,  0.0028895500000000 ]  - [   0.0076994800000000, -0.0000403200000000, -0.0000574900000000 ]  - [  -0.0024738100000000, -0.0018392000000000, -0.0029250000000000 ]  - [   0.0007040000000000, -0.0000100100000000,  0.0000016800000000 ]  - [  -0.0002793800000000,  0.0019413600000000,  0.0012435800000000 ]  - [  -0.0002895100000000, -0.0019492400000000, -0.0012574400000000 ]  - [   0.0000662000000000,  0.0000341800000000, -0.0009651800000000 ]  - [   0.0000650800000000, -0.0000338100000000,  0.0009372200000000 ]  - [  -0.0001632300000000, -0.0000000500000000, -0.0000016700000000 ]  - [  -0.0000039700000000,  0.0000524200000000, -0.0008527500000000 ]  - [   0.0000066700000000, -0.0000004500000000, -0.0000050300000000 ]  - [  -0.0000049400000000, -0.0000532100000000,  0.0008440500000000 ]  - [   0.0000871700000000,  0.0000009900000000, -0.0000127000000000 ]  - [  -0.0000413600000000,  0.0000704200000000,  0.0000595800000000 ]  - [  -0.0000416100000000, -0.0000700600000000, -0.0000656800000000 ]  - [   0.0024754400000000,  0.0000022700000000, -0.0000095700000000 ]  - [  -0.0012655900000000, -0.0003902200000000, -0.0010810900000000 ]  - [  -0.0012669800000000,  0.0003917300000000,  0.0010561300000000 ]  - [   0.0002447800000000,  0.0011425100000000,  0.0002943900000000 ]  - [   0.0002452500000000, -0.0011450900000000, -0.0003175400000000 ]  - [  -0.0004794700000000, -0.0000022900000000, -0.0000127600000000 ]  - [   0.0008196500000000,  0.0009337800000000, -0.0007737700000000 ]  - [  -0.0016555700000000,  0.0000012200000000, -0.0000111100000000 ]  - [   0.0008172500000000, -0.0009308300000000,  0.0007512600000000 ]  - [   0.0187416300000000,  0.0000174400000000, -0.0000322300000000 ]  - [  -0.0049036700000000,  0.0011294300000000,  0.0040128800000000 ]  - [  -0.0048890800000000, -0.0011274200000000, -0.0039941800000000 ]  - [   0.0002443700000000,  0.0049884800000000, -0.0031685500000000 ]  - [   0.0002345400000000, -0.0049976600000000,  0.0031681300000000 ]  - [  -0.0008483100000000, -0.0000065500000000, -0.0000064600000000 ]  - [   0.0010444600000000,  0.0013783100000000,  0.0008193900000000 ]  - [  -0.0018702800000000,  0.0000006400000000, -0.0000058400000000 ]  - [   0.0009930700000000, -0.0013958500000000, -0.0008517400000000 ]  - [   0.0270250500000000, -0.0081739000000000,  0.0055250700000000 ]  - [   0.0286685500000000,  0.0091880200000000, -0.0061118100000000 ]  - [  -0.0075017800000000, -0.0000144800000000,  0.0000184300000000 ]  - [  -0.0023159800000000,  0.0029801500000000, -0.0002122600000000 ]  - [   0.0046427300000000,  0.0000002200000000,  0.0000115200000000 ]  - [  -0.0023226700000000, -0.0030044300000000,  0.0002352700000000 ]  - [   0.0128156700000000, -0.0000462600000000, -0.0000106500000000 ]  - [  -0.0027451800000000,  0.0042879800000000,  0.0012887900000000 ]  - [  -0.0027477000000000, -0.0042441600000000, -0.0012605000000000 ]  - [   0.0003712500000000, -0.0000276100000000,  0.0006131800000000 ]  - [   0.0003732900000000,  0.0000273500000000, -0.0005989500000000 ]  - [  -0.0007382600000000, -0.0000010900000000,  0.0000076500000000 ]  - [  -0.0001867700000000,  0.0003176800000000,  0.0000693200000000 ]  - [   0.0003818700000000,  0.0000002200000000,  0.0000090800000000 ]  - [  -0.0001873600000000, -0.0003188200000000, -0.0000519200000000 ]  - [   0.0003248800000000,  0.0000000100000000,  0.0000073300000000 ]  - [  -0.0001538800000000,  0.0003102100000000, -0.0005055700000000 ]  - [  -0.0001559300000000, -0.0003093600000000,  0.0005212200000000 ]  - [  -0.1423874100000000, -0.0007611900000000,  0.0004904000000000 ]  - [   0.0274841500000000, -0.0030289500000000, -0.0000490200000000 ]  - [   0.0271734400000000,  0.0030025700000000,  0.0000158200000000 ]  - [   0.0001213900000000, -0.0186699200000000, -0.0027521800000000 ]  - [   0.0001131800000000,  0.0187804900000000,  0.0027308600000000 ]  - [   0.0034362800000000,  0.0000184700000000, -0.0000133700000000 ]  - [   0.0000552300000000, -0.0126961300000000, -0.0028008200000000 ]  - [   0.0034351100000000, -0.0000066100000000, -0.0000121100000000 ]  - [   0.0001804000000000,  0.0126934500000000,  0.0027461100000000 ]  - [  -0.0010711800000000, -0.0000002700000000, -0.0000059100000000 ]  - [   0.0005423600000000, -0.0000040300000000,  0.0002079300000000 ]  - [   0.0005450800000000,  0.0000013100000000, -0.0002263900000000 ]  - [  -0.0002565200000000, -0.0004614900000000, -0.0001673100000000 ]  - [  -0.0002569600000000,  0.0004666500000000,  0.0001428900000000 ]  - [   0.0005076300000000,  0.0000051000000000, -0.0000120200000000 ]  - [  -0.0002560800000000, -0.0004611200000000,  0.0000521600000000 ]  - [   0.0005061800000000, -0.0000028700000000, -0.0000112100000000 ]  - [  -0.0002560600000000,  0.0004584600000000, -0.0000698700000000 ]  - [  -0.0012904600000000, -0.0028755600000000, -0.0032411700000000 ]  - [  -0.0012973300000000,  0.0028817100000000,  0.0032717000000000 ]  - [   0.0027422700000000,  0.0000022600000000,  0.0000192400000000 ]  - [   0.0003250000000000, -0.0013904800000000, -0.0005662800000000 ]  - [  -0.0006386100000000, -0.0000020600000000,  0.0000134700000000 ]  - [   0.0003284600000000,  0.0013961800000000,  0.0005967200000000 ]  - [  -0.0062775700000000, -0.0000038900000000,  0.0000108000000000 ]  - [   0.0031390300000000, -0.0021874400000000,  0.0024368600000000 ]  - [   0.0031429300000000,  0.0021798700000000, -0.0024062700000000 ]  - [  -0.0002042300000000, -0.0022038900000000,  0.0180454700000000 ]  - [  -0.0002841900000000,  0.0021954300000000, -0.0181547700000000 ]  - [   0.0050873100000000,  0.0000046400000000,  0.0000020300000000 ]  - [   0.0016086800000000, -0.0019947500000000,  0.0005193500000000 ]  - [  -0.0032371100000000, -0.0000004400000000,  0.0000080100000000 ]  - [   0.0016154300000000,  0.0020191100000000, -0.0004973300000000 ]  - [  -0.0040547700000000,  0.0000382300000000,  0.0000726900000000 ]  - [   0.0013921700000000, -0.0026886000000000, -0.0021879700000000 ]  - [   0.0014114400000000,  0.0026670100000000,  0.0021956900000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0022700600000000, -0.0013106200000000,  0.0171289500000000 ]  - [   0.0022700600000000, -0.0013106200000000,  0.0171289500000000 ]  - [   0.0000000000000000, -0.0000942800000000, -0.0021151900000000 ]  - [  -0.0002895900000000,  0.0001672000000000, -0.0021007900000000 ]  - [   0.0000000000000000,  0.0026212400000000,  0.0171289500000000 ]  - [   0.0002895900000000,  0.0001672000000000, -0.0021007900000000 ]  - [   0.0000000000000000, -0.0003343900000000, -0.0021007900000000 ]  - [   0.0000816500000000,  0.0000471400000000, -0.0021151900000000 ]  - [  -0.0000816500000000,  0.0000471400000000, -0.0021151900000000 ]  - [  -0.0004193500000000, -0.0002421100000000,  0.0057602000000000 ]  - [   0.0004193500000000, -0.0002421100000000,  0.0057602000000000 ]  - [   0.0000000000000000, -0.0000117500000000,  0.0022711700000000 ]  - [  -0.0002877200000000,  0.0001661200000000,  0.0034967100000000 ]  - [   0.0000000000000000,  0.0004842300000000,  0.0057602000000000 ]  - [   0.0002877200000000,  0.0001661200000000,  0.0034967100000000 ]  - [   0.0000000000000000, -0.0003322300000000,  0.0034967100000000 ]  - [   0.0000101700000000,  0.0000058700000000,  0.0022711700000000 ]  - [  -0.0000101700000000,  0.0000058700000000,  0.0022711700000000 ]  - [   0.0008601500000000,  0.0004966100000000, -0.0095674500000000 ]  - [  -0.0008601500000000,  0.0004966100000000, -0.0095674500000000 ]  - [   0.0000000000000000, -0.0000607500000000,  0.0015419300000000 ]  - [   0.0006869100000000, -0.0003965900000000,  0.0015928700000000 ]  - [   0.0000000000000000, -0.0009932100000000, -0.0095674500000000 ]  - [  -0.0006869100000000, -0.0003965900000000,  0.0015928700000000 ]  - [   0.0000000000000000,  0.0007931800000000,  0.0015928700000000 ]  - [   0.0000526100000000,  0.0000303700000000,  0.0015419300000000 ]  - [  -0.0000526100000000,  0.0000303700000000,  0.0015419300000000 ]  - [  -0.0018226700000000, -0.0010523200000000, -0.0045434200000000 ]  - [   0.0018226700000000, -0.0010523200000000, -0.0045434200000000 ]  - [   0.0000000000000000, -0.0000993500000000, -0.0016731300000000 ]  - [  -0.0012687700000000,  0.0007325300000000, -0.0028980500000000 ]  - [   0.0000000000000000,  0.0021046300000000, -0.0045434200000000 ]  - [   0.0012687700000000,  0.0007325300000000, -0.0028980500000000 ]  - [   0.0000000000000000, -0.0014650500000000, -0.0028980500000000 ]  - [   0.0000860400000000,  0.0000496700000000, -0.0016731300000000 ]  - [  -0.0000860400000000,  0.0000496700000000, -0.0016731300000000 ]  - [   0.0005251100000000,  0.0003031700000000,  0.0022589900000000 ]  - [  -0.0005251100000000,  0.0003031700000000,  0.0022589900000000 ]  - [   0.0000000000000000, -0.0002706700000000,  0.0021410000000000 ]  - [   0.0002922700000000, -0.0001687400000000,  0.0022301000000000 ]  - [   0.0000000000000000, -0.0006063400000000,  0.0022589900000000 ]  - [  -0.0002922700000000, -0.0001687400000000,  0.0022301000000000 ]  - [   0.0000000000000000,  0.0003374800000000,  0.0022301000000000 ]  - [   0.0002344000000000,  0.0001353300000000,  0.0021410000000000 ]  - [  -0.0002344000000000,  0.0001353300000000,  0.0021410000000000 ]  - [   0.0001853100000000,  0.0001069900000000, -0.0043629200000000 ]  - [  -0.0001853100000000,  0.0001069900000000, -0.0043629200000000 ]  - [   0.0000000000000000, -0.0000519600000000, -0.0017541100000000 ]  - [   0.0001695900000000, -0.0000979100000000, -0.0027093800000000 ]  - [   0.0000000000000000, -0.0002139800000000, -0.0043629200000000 ]  - [  -0.0001695900000000, -0.0000979100000000, -0.0027093800000000 ]  - [   0.0000000000000000,  0.0001958300000000, -0.0027093800000000 ]  - [   0.0000450000000000,  0.0000259800000000, -0.0017541100000000 ]  - [  -0.0000450000000000,  0.0000259800000000, -0.0017541100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036199500000000 ]  - [  -0.0014616500000000, -0.0001171400000000, -0.0019262100000000 ]  - [   0.0014616500000000, -0.0001171400000000, -0.0019262100000000 ]  - [   0.0008322700000000, -0.0012072500000000, -0.0019262100000000 ]  - [  -0.0008322700000000, -0.0012072500000000, -0.0019262100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010313300000000 ]  - [  -0.0006293800000000,  0.0013243900000000, -0.0019262100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012392700000000 ]  - [   0.0006293800000000,  0.0013243900000000, -0.0019262100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0346930400000000 ]  - [   0.0031599200000000, -0.0011216000000000,  0.0014681100000000 ]  - [  -0.0031599200000000, -0.0011216000000000,  0.0014681100000000 ]  - [  -0.0006086200000000,  0.0032973700000000,  0.0014681100000000 ]  - [   0.0006086200000000,  0.0032973700000000,  0.0014681100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010751300000000 ]  - [   0.0025513000000000, -0.0021757700000000,  0.0014681100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009600300000000 ]  - [  -0.0025513000000000, -0.0021757700000000,  0.0014681100000000 ]  - [   0.0073433400000000, -0.0042396800000000,  0.0182196100000000 ]  - [  -0.0073433400000000, -0.0042396800000000,  0.0182196100000000 ]  - [   0.0000000000000000,  0.0000108800000000,  0.0017171400000000 ]  - [  -0.0000094200000000, -0.0000054400000000,  0.0017171400000000 ]  - [   0.0000000000000000,  0.0003015200000000,  0.0026198400000000 ]  - [   0.0000094200000000, -0.0000054400000000,  0.0017171400000000 ]  - [   0.0000000000000000,  0.0084793500000000,  0.0182196100000000 ]  - [   0.0002611200000000, -0.0001507600000000,  0.0026198400000000 ]  - [  -0.0002611200000000, -0.0001507600000000,  0.0026198400000000 ]  - [   0.0000362900000000, -0.0000209500000000, -0.0025944700000000 ]  - [  -0.0000362900000000, -0.0000209500000000, -0.0025944700000000 ]  - [   0.0000000000000000, -0.0002702400000000, -0.0013767700000000 ]  - [   0.0002340300000000,  0.0001351200000000, -0.0013767700000000 ]  - [   0.0000000000000000,  0.0002197400000000, -0.0018268800000000 ]  - [  -0.0002340300000000,  0.0001351200000000, -0.0013767700000000 ]  - [   0.0000000000000000,  0.0000419000000000, -0.0025944700000000 ]  - [   0.0001903000000000, -0.0001098700000000, -0.0018268800000000 ]  - [  -0.0001903000000000, -0.0001098700000000, -0.0018268800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1293004900000000 ]  - [  -0.0000026100000000,  0.0031931100000000, -0.0084451500000000 ]  - [   0.0000026100000000,  0.0031931100000000, -0.0084451500000000 ]  - [  -0.0027640100000000, -0.0015988200000000, -0.0084451500000000 ]  - [   0.0027640100000000, -0.0015988200000000, -0.0084451500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027600200000000 ]  - [  -0.0027666200000000, -0.0015942900000000, -0.0084451500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027573100000000 ]  - [   0.0027666200000000, -0.0015942900000000, -0.0084451500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041703200000000 ]  - [  -0.0002158100000000,  0.0000532100000000,  0.0028514000000000 ]  - [   0.0002158100000000,  0.0000532100000000,  0.0028514000000000 ]  - [   0.0000618200000000, -0.0002135000000000,  0.0028514000000000 ]  - [  -0.0000618200000000, -0.0002135000000000,  0.0028514000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022286900000000 ]  - [  -0.0001539800000000,  0.0001602900000000,  0.0028514000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022300200000000 ]  - [   0.0001539800000000,  0.0001602900000000,  0.0028514000000000 ]  - [  -0.0032595700000000,  0.0018819200000000,  0.0055248400000000 ]  - [   0.0032595700000000,  0.0018819200000000,  0.0055248400000000 ]  - [   0.0000000000000000,  0.0006728200000000,  0.0008010100000000 ]  - [  -0.0005826800000000, -0.0003364100000000,  0.0008010100000000 ]  - [   0.0000000000000000,  0.0027985300000000,  0.0028181500000000 ]  - [   0.0005826800000000, -0.0003364100000000,  0.0008010100000000 ]  - [   0.0000000000000000, -0.0037638300000000,  0.0055248400000000 ]  - [   0.0024236000000000, -0.0013992600000000,  0.0028181500000000 ]  - [  -0.0024236000000000, -0.0013992600000000,  0.0028181500000000 ]  - [   0.0179801700000000, -0.0103808500000000,  0.0113815000000000 ]  - [  -0.0179801700000000, -0.0103808500000000,  0.0113815000000000 ]  - [   0.0000000000000000, -0.0005851700000000, -0.0001143000000000 ]  - [   0.0005067700000000,  0.0002925800000000, -0.0001143000000000 ]  - [   0.0000000000000000, -0.0025257200000000,  0.0000202700000000 ]  - [  -0.0005067700000000,  0.0002925800000000, -0.0001143000000000 ]  - [   0.0000000000000000,  0.0207617100000000,  0.0113815000000000 ]  - [  -0.0021873400000000,  0.0012628600000000,  0.0000202700000000 ]  - [   0.0021873400000000,  0.0012628600000000,  0.0000202700000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0022126700000000,  0.0012774800000000, -0.0171676800000000 ]  - [  -0.0022126700000000,  0.0012774800000000, -0.0171676800000000 ]  - [   0.0000000000000000,  0.0000931300000000,  0.0021004300000000 ]  - [   0.0002885300000000, -0.0001665800000000,  0.0020847600000000 ]  - [   0.0000000000000000, -0.0025549700000000, -0.0171676800000000 ]  - [  -0.0002885300000000, -0.0001665800000000,  0.0020847600000000 ]  - [   0.0000000000000000,  0.0003331600000000,  0.0020847600000000 ]  - [  -0.0000806600000000, -0.0000465700000000,  0.0021004300000000 ]  - [   0.0000806600000000, -0.0000465700000000,  0.0021004300000000 ]  - [   0.0004223200000000,  0.0002438300000000, -0.0057740600000000 ]  - [  -0.0004223200000000,  0.0002438300000000, -0.0057740600000000 ]  - [   0.0000000000000000,  0.0000116400000000, -0.0022686400000000 ]  - [   0.0002900500000000, -0.0001674600000000, -0.0034971000000000 ]  - [   0.0000000000000000, -0.0004876600000000, -0.0057740600000000 ]  - [  -0.0002900500000000, -0.0001674600000000, -0.0034971000000000 ]  - [   0.0000000000000000,  0.0003349200000000, -0.0034971000000000 ]  - [  -0.0000100800000000, -0.0000058200000000, -0.0022686400000000 ]  - [   0.0000100800000000, -0.0000058200000000, -0.0022686400000000 ]  - [  -0.0008337000000000, -0.0004813400000000,  0.0096208200000000 ]  - [   0.0008337000000000, -0.0004813400000000,  0.0096208200000000 ]  - [   0.0000000000000000,  0.0000613700000000, -0.0015250100000000 ]  - [  -0.0006843500000000,  0.0003951100000000, -0.0015740700000000 ]  - [   0.0000000000000000,  0.0009626800000000,  0.0096208200000000 ]  - [   0.0006843500000000,  0.0003951100000000, -0.0015740700000000 ]  - [   0.0000000000000000, -0.0007902200000000, -0.0015740700000000 ]  - [  -0.0000531500000000, -0.0000306900000000, -0.0015250100000000 ]  - [   0.0000531500000000, -0.0000306900000000, -0.0015250100000000 ]  - [   0.0018342600000000,  0.0010590100000000,  0.0045676100000000 ]  - [  -0.0018342600000000,  0.0010590100000000,  0.0045676100000000 ]  - [   0.0000000000000000,  0.0000992800000000,  0.0016738900000000 ]  - [   0.0012762900000000, -0.0007368600000000,  0.0029055900000000 ]  - [   0.0000000000000000, -0.0021180200000000,  0.0045676100000000 ]  - [  -0.0012762900000000, -0.0007368600000000,  0.0029055900000000 ]  - [   0.0000000000000000,  0.0014737300000000,  0.0029055900000000 ]  - [  -0.0000859800000000, -0.0000496400000000,  0.0016738900000000 ]  - [   0.0000859800000000, -0.0000496400000000,  0.0016738900000000 ]  - [  -0.0007632800000000, -0.0004406800000000, -0.0021297300000000 ]  - [   0.0007632800000000, -0.0004406800000000, -0.0021297300000000 ]  - [   0.0000000000000000,  0.0002671000000000, -0.0021327800000000 ]  - [  -0.0002936100000000,  0.0001695200000000, -0.0022219600000000 ]  - [   0.0000000000000000,  0.0008813600000000, -0.0021297300000000 ]  - [   0.0002936100000000,  0.0001695200000000, -0.0022219600000000 ]  - [   0.0000000000000000, -0.0003390300000000, -0.0022219600000000 ]  - [  -0.0002313200000000, -0.0001335500000000, -0.0021327800000000 ]  - [   0.0002313200000000, -0.0001335500000000, -0.0021327800000000 ]  - [  -0.0001856100000000, -0.0001071600000000,  0.0043701400000000 ]  - [   0.0001856100000000, -0.0001071600000000,  0.0043701400000000 ]  - [   0.0000000000000000,  0.0000521200000000,  0.0017481900000000 ]  - [  -0.0001688800000000,  0.0000975000000000,  0.0027083900000000 ]  - [   0.0000000000000000,  0.0002143300000000,  0.0043701400000000 ]  - [   0.0001688800000000,  0.0000975000000000,  0.0027083900000000 ]  - [   0.0000000000000000, -0.0001950100000000,  0.0027083900000000 ]  - [  -0.0000451300000000, -0.0000260600000000,  0.0017481900000000 ]  - [   0.0000451300000000, -0.0000260600000000,  0.0017481900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036039600000000 ]  - [   0.0014583700000000,  0.0001174900000000,  0.0019112400000000 ]  - [  -0.0014583700000000,  0.0001174900000000,  0.0019112400000000 ]  - [  -0.0008309300000000,  0.0012042400000000,  0.0019112400000000 ]  - [   0.0008309300000000,  0.0012042400000000,  0.0019112400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010177100000000 ]  - [   0.0006274400000000, -0.0013217300000000,  0.0019112400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012251900000000 ]  - [  -0.0006274400000000, -0.0013217300000000,  0.0019112400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0375891800000000 ]  - [  -0.0031720600000000,  0.0011231600000000, -0.0015091800000000 ]  - [   0.0031720600000000,  0.0011231600000000, -0.0015091800000000 ]  - [   0.0006133400000000, -0.0033086600000000, -0.0015091800000000 ]  - [  -0.0006133400000000, -0.0033086600000000, -0.0015091800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011011000000000 ]  - [  -0.0025587200000000,  0.0021855000000000, -0.0015091800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009849400000000 ]  - [   0.0025587200000000,  0.0021855000000000, -0.0015091800000000 ]  - [  -0.0074934200000000,  0.0043263300000000, -0.0182661900000000 ]  - [   0.0074934200000000,  0.0043263300000000, -0.0182661900000000 ]  - [   0.0000000000000000, -0.0000077000000000, -0.0017088700000000 ]  - [   0.0000066700000000,  0.0000038500000000, -0.0017088700000000 ]  - [   0.0000000000000000, -0.0002963400000000, -0.0026135300000000 ]  - [  -0.0000066700000000,  0.0000038500000000, -0.0017088700000000 ]  - [   0.0000000000000000, -0.0086526600000000, -0.0182661900000000 ]  - [  -0.0002566400000000,  0.0001481700000000, -0.0026135300000000 ]  - [   0.0002566400000000,  0.0001481700000000, -0.0026135300000000 ]  - [  -0.0000341800000000,  0.0000197300000000,  0.0026136500000000 ]  - [   0.0000341800000000,  0.0000197300000000,  0.0026136500000000 ]  - [   0.0000000000000000,  0.0002695900000000,  0.0013968700000000 ]  - [  -0.0002334700000000, -0.0001347900000000,  0.0013968700000000 ]  - [   0.0000000000000000, -0.0002211500000000,  0.0018463000000000 ]  - [   0.0002334700000000, -0.0001347900000000,  0.0013968700000000 ]  - [   0.0000000000000000, -0.0000394700000000,  0.0026136500000000 ]  - [  -0.0001915200000000,  0.0001105700000000,  0.0018463000000000 ]  - [   0.0001915200000000,  0.0001105700000000,  0.0018463000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1323580400000000 ]  - [  -0.0000651200000000, -0.0031748000000000,  0.0084184400000000 ]  - [   0.0000651200000000, -0.0031748000000000,  0.0084184400000000 ]  - [   0.0027820200000000,  0.0015310000000000,  0.0084184400000000 ]  - [  -0.0027820200000000,  0.0015310000000000,  0.0084184400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027390500000000 ]  - [   0.0027169000000000,  0.0016438000000000,  0.0084184400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027420600000000 ]  - [  -0.0027169000000000,  0.0016438000000000,  0.0084184400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0041950900000000 ]  - [   0.0002203400000000, -0.0000535100000000, -0.0028733600000000 ]  - [  -0.0002203400000000, -0.0000535100000000, -0.0028733600000000 ]  - [  -0.0000638300000000,  0.0002175700000000, -0.0028733600000000 ]  - [   0.0000638300000000,  0.0002175700000000, -0.0028733600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022505100000000 ]  - [   0.0001565100000000, -0.0001640700000000, -0.0028733600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022499700000000 ]  - [  -0.0001565100000000, -0.0001640700000000, -0.0028733600000000 ]  - [   0.0032522000000000, -0.0018776600000000, -0.0054986100000000 ]  - [  -0.0032522000000000, -0.0018776600000000, -0.0054986100000000 ]  - [   0.0000000000000000, -0.0006722200000000, -0.0007893000000000 ]  - [   0.0005821600000000,  0.0003361100000000, -0.0007893000000000 ]  - [   0.0000000000000000, -0.0027920300000000, -0.0028046900000000 ]  - [  -0.0005821600000000,  0.0003361100000000, -0.0007893000000000 ]  - [   0.0000000000000000,  0.0037553200000000, -0.0054986100000000 ]  - [  -0.0024179700000000,  0.0013960100000000, -0.0028046900000000 ]  - [   0.0024179700000000,  0.0013960100000000, -0.0028046900000000 ]  - [  -0.0182226300000000,  0.0105208400000000, -0.0114859300000000 ]  - [   0.0182226300000000,  0.0105208400000000, -0.0114859300000000 ]  - [   0.0000000000000000,  0.0005879400000000,  0.0001453400000000 ]  - [  -0.0005091700000000, -0.0002939700000000,  0.0001453400000000 ]  - [   0.0000000000000000,  0.0025366700000000,  0.0000101600000000 ]  - [   0.0005091700000000, -0.0002939700000000,  0.0001453400000000 ]  - [   0.0000000000000000, -0.0210416800000000, -0.0114859300000000 ]  - [   0.0021968200000000, -0.0012683400000000,  0.0000101600000000 ]  - [  -0.0021968200000000, -0.0012683400000000,  0.0000101600000000 ]