# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c4220ad0-b79e-4acf-9e06-217b3a8eac97/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 LiIO3 / P6_3 (173) / materials id 613442](https://mdr.nims.go.jp/datasets/5078ecab-cb42-4042-b893-55073d6745a2)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3"  number: 173  Hall_symbol: "P 6c"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     5.396709640000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.698354830000000,     4.673687650000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.047461289999999 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.420391240000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.920391240000000 ]    mass: 6.941000  - symbol: I  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.488303220000000 ]    mass: 126.904470  - symbol: I  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.988303220000000 ]    mass: 126.904470  - symbol: O  # 5    coordinates: [  0.263180920000000,  0.339743530000000,  0.162535170000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.660256470000000,  0.923437380000000,  0.162535170000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.736819080000000,  0.660256470000000,  0.662535170000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.339743530000000,  0.076562620000000,  0.662535170000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.923437380000000,  0.263180920000000,  0.662535170000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.076562620000000,  0.736819080000000,  0.162535170000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.185298092116737,     0.106981903647964,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.213963806502987,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.198119399544716 ] # c*unit_cell:  lattice:  - [     5.396709640000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.698354830000000,     4.673687650000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.047461290000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.420391240000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.920391240000000 ]    mass: 6.941000    reduced_to: 2  - symbol: I  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.488303220000000 ]    mass: 126.904470    reduced_to: 3  - symbol: I  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.988303220000000 ]    mass: 126.904470    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.263180920000000,  0.339743530000000,  0.162535170000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.660256470000000,  0.923437380000000,  0.162535170000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.736819080000000,  0.660256470000000,  0.662535170000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.339743530000000,  0.076562620000000,  0.662535170000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.923437380000000,  0.263180920000000,  0.662535170000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.076562620000000,  0.736819080000000,  0.162535170000000 ]    mass: 15.999400    reduced_to: 10supercell:  lattice:  - [    10.793419280000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.396709660000000,     9.347375299999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.142383870000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.140130413333333 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.140130413333333 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.140130413333333 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.140130413333333 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.473463746666667 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.473463746666667 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.473463746666667 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.473463746666667 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.806797080000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.806797080000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.806797080000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.806797080000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.306797080000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.306797080000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.306797080000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.306797080000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.640130413333333 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.640130413333333 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.640130413333333 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.640130413333333 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.973463746666667 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.973463746666667 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.973463746666667 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.973463746666667 ]    mass: 6.941000    reduced_to: 13  - symbol: I  # 25    coordinates: [  0.333333335000000,  0.166666665000000,  0.162767740000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 26    coordinates: [  0.833333335000000,  0.166666665000000,  0.162767740000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 27    coordinates: [  0.333333335000000,  0.666666665000000,  0.162767740000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 28    coordinates: [  0.833333335000000,  0.666666665000000,  0.162767740000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 29    coordinates: [  0.333333335000000,  0.166666665000000,  0.496101073333333 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 30    coordinates: [  0.833333335000000,  0.166666665000000,  0.496101073333333 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 31    coordinates: [  0.333333335000000,  0.666666665000000,  0.496101073333333 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 32    coordinates: [  0.833333335000000,  0.666666665000000,  0.496101073333333 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 33    coordinates: [  0.333333335000000,  0.166666665000000,  0.829434406666667 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 34    coordinates: [  0.833333335000000,  0.166666665000000,  0.829434406666667 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 35    coordinates: [  0.333333335000000,  0.666666665000000,  0.829434406666667 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 36    coordinates: [  0.833333335000000,  0.666666665000000,  0.829434406666667 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 37    coordinates: [  0.166666665000000,  0.333333335000000,  0.329434406666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.666666665000000,  0.333333335000000,  0.329434406666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.166666665000000,  0.833333335000000,  0.329434406666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.666666665000000,  0.833333335000000,  0.329434406666667 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.166666665000000,  0.333333335000000,  0.662767740000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 42    coordinates: [  0.666666665000000,  0.333333335000000,  0.662767740000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 43    coordinates: [  0.166666665000000,  0.833333335000000,  0.662767740000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 44    coordinates: [  0.666666665000000,  0.833333335000000,  0.662767740000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 45    coordinates: [  0.166666665000000,  0.333333335000000,  0.996101073333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 46    coordinates: [  0.666666665000000,  0.333333335000000,  0.996101073333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 47    coordinates: [  0.166666665000000,  0.833333335000000,  0.996101073333333 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 48    coordinates: [  0.666666665000000,  0.833333335000000,  0.996101073333333 ]    mass: 126.904470    reduced_to: 37  - symbol: O  # 49    coordinates: [  0.131590460000000,  0.169871765000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.631590460000000,  0.169871765000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.131590460000000,  0.669871765000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.631590460000000,  0.669871765000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.131590460000000,  0.169871765000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 54    coordinates: [  0.631590460000000,  0.169871765000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 55    coordinates: [  0.131590460000000,  0.669871765000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 56    coordinates: [  0.631590460000000,  0.669871765000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 57    coordinates: [  0.131590460000000,  0.169871765000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 58    coordinates: [  0.631590460000000,  0.169871765000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 59    coordinates: [  0.131590460000000,  0.669871765000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 60    coordinates: [  0.631590460000000,  0.669871765000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 61    coordinates: [  0.330128235000000,  0.461718690000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.830128235000000,  0.461718690000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.330128235000000,  0.961718690000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.830128235000000,  0.961718690000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.330128235000000,  0.461718690000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 66    coordinates: [  0.830128235000000,  0.461718690000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 67    coordinates: [  0.330128235000000,  0.961718690000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 68    coordinates: [  0.830128235000000,  0.961718690000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 69    coordinates: [  0.330128235000000,  0.461718690000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 70    coordinates: [  0.830128235000000,  0.461718690000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 71    coordinates: [  0.330128235000000,  0.961718690000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 72    coordinates: [  0.830128235000000,  0.961718690000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 73    coordinates: [  0.368409540000000,  0.330128235000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.868409540000000,  0.330128235000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.368409540000000,  0.830128235000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.868409540000000,  0.830128235000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.368409540000000,  0.330128235000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.868409540000000,  0.330128235000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.368409540000000,  0.830128235000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 80    coordinates: [  0.868409540000000,  0.830128235000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 81    coordinates: [  0.368409540000000,  0.330128235000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 82    coordinates: [  0.868409540000000,  0.330128235000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 83    coordinates: [  0.368409540000000,  0.830128235000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 84    coordinates: [  0.868409540000000,  0.830128235000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 85    coordinates: [  0.169871765000000,  0.038281310000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 86    coordinates: [  0.669871765000000,  0.038281310000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 87    coordinates: [  0.169871765000000,  0.538281310000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 88    coordinates: [  0.669871765000000,  0.538281310000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 89    coordinates: [  0.169871765000000,  0.038281310000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 90    coordinates: [  0.669871765000000,  0.038281310000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 91    coordinates: [  0.169871765000000,  0.538281310000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 92    coordinates: [  0.669871765000000,  0.538281310000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 93    coordinates: [  0.169871765000000,  0.038281310000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 94    coordinates: [  0.669871765000000,  0.038281310000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 95    coordinates: [  0.169871765000000,  0.538281310000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 96    coordinates: [  0.669871765000000,  0.538281310000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 97    coordinates: [  0.461718690000000,  0.131590460000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.961718690000000,  0.131590460000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 99    coordinates: [  0.461718690000000,  0.631590460000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 100    coordinates: [  0.961718690000000,  0.631590460000000,  0.220845056666667 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 101    coordinates: [  0.461718690000000,  0.131590460000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 102    coordinates: [  0.961718690000000,  0.131590460000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 103    coordinates: [  0.461718690000000,  0.631590460000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 104    coordinates: [  0.961718690000000,  0.631590460000000,  0.554178390000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 105    coordinates: [  0.461718690000000,  0.131590460000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 106    coordinates: [  0.961718690000000,  0.131590460000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 107    coordinates: [  0.461718690000000,  0.631590460000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 108    coordinates: [  0.961718690000000,  0.631590460000000,  0.887511723333333 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 109    coordinates: [  0.038281310000000,  0.368409540000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 110    coordinates: [  0.538281310000000,  0.368409540000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 111    coordinates: [  0.038281310000000,  0.868409540000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 112    coordinates: [  0.538281310000000,  0.868409540000000,  0.054178390000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 113    coordinates: [  0.038281310000000,  0.368409540000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 114    coordinates: [  0.538281310000000,  0.368409540000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 115    coordinates: [  0.038281310000000,  0.868409540000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 116    coordinates: [  0.538281310000000,  0.868409540000000,  0.387511723333333 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 117    coordinates: [  0.038281310000000,  0.368409540000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 118    coordinates: [  0.538281310000000,  0.368409540000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 119    coordinates: [  0.038281310000000,  0.868409540000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 120    coordinates: [  0.538281310000000,  0.868409540000000,  0.720845056666667 ]    mass: 15.999400    reduced_to: 109born_effective_charge:- # 1 (Li)  - [  1.427373540000000, -0.211840920000000,  0.000000000000000 ]  - [  0.211840920000000,  1.427373540000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.080027410000000 ]- # 2 (Li)  - [  1.427373540872694, -0.211840919941401,  0.000000000000000 ]  - [  0.211840920058598,  1.427373539127306,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.080027410000000 ]- # 3 (I)  - [  4.113099170000000, -0.070227910000000,  0.000000000000000 ]  - [  0.070227910000000,  4.113099170000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.520170520000000 ]- # 4 (I)  - [  4.113099170289310, -0.070227909980574,  0.000000000000000 ]  - [  0.070227910019426,  4.113099169710691,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.520170520000000 ]- # 5 (O)  - [ -1.522568670000000,  0.525094760000000, -0.691701920000000 ]  - [  0.337048870000000, -2.171079800000000,  0.936931270000000 ]  - [ -0.468775150000000,  0.344658390000000, -1.533399310000000 ]- # 6 (O)  - [ -1.635632875241869, -0.402326519867205, -0.465555323554443 ]  - [ -0.590372408401764, -2.058015594758132, -1.067497070673059 ]  - [ -0.064095345185134, -0.578300383350855, -1.533399310000000 ]- # 7 (O)  - [ -1.522568670000001,  0.525094760000000,  0.691701920000000 ]  - [  0.337048870000000, -2.171079800000000, -0.936931270000000 ]  - [  0.468775150000000, -0.344658390000000, -1.533399310000000 ]- # 8 (O)  - [ -1.635632875241869, -0.402326519867205,  0.465555323554443 ]  - [ -0.590372408401764, -2.058015594758132,  1.067497070673059 ]  - [  0.064095345185134,  0.578300383350855, -1.533399310000000 ]- # 9 (O)  - [ -2.382271160361657,  0.159300595885949, -1.157257243554442 ]  - [ -0.028745297024122, -1.311377309638344, -0.130565800673059 ]  - [ -0.532870495185134, -0.233641993350855, -1.533399310000000 ]- # 10 (O)  - [ -2.382271160361657,  0.159300595885949,  1.157257243554442 ]  - [ -0.028745297024122, -1.311377309638344,  0.130565800673059 ]  - [  0.532870495185134,  0.233641993350855, -1.533399310000000 ]dielectric_constant:  - [  4.282652000000000,  0.000028450000000,  0.000000000000000 ]  - [ -0.000028450000000,  4.282651990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.760514250000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0286323900000000, -0.0001558000000000, -0.0002848700000000 ]  - [   0.0015094100000000, -0.0003595100000000, -0.0002880400000000 ]  - [  -0.0002306400000000, -0.0006474600000000,  0.0004331700000000 ]  - [   0.0003881800000000,  0.0010031100000000, -0.0006379800000000 ]  - [  -0.0002343600000000,  0.0000376000000000, -0.0001648700000000 ]  - [   0.0002229100000000, -0.0000155300000000, -0.0001378300000000 ]  - [  -0.0000114500000000, -0.0001701100000000, -0.0001036100000000 ]  - [  -0.0000279400000000,  0.0001100900000000, -0.0002520600000000 ]  - [  -0.0002337600000000, -0.0000388400000000, -0.0001648900000000 ]  - [   0.0002226200000000,  0.0000330200000000, -0.0001556900000000 ]  - [  -0.0000110800000000, -0.0001215000000000, -0.0001942900000000 ]  - [  -0.0000284900000000,  0.0001582900000000, -0.0001435400000000 ]  - [  -0.0032773100000000,  0.0000877500000000, -0.0001922300000000 ]  - [   0.0009397900000000, -0.0002233700000000, -0.0001193200000000 ]  - [  -0.0001376300000000, -0.0004933500000000, -0.0005651400000000 ]  - [   0.0001677300000000,  0.0005754500000000,  0.0001899400000000 ]  - [  -0.0000705700000000,  0.0000009800000000, -0.0001647000000000 ]  - [   0.0000699200000000, -0.0000009000000000, -0.0001639800000000 ]  - [  -0.0000038300000000, -0.0000397800000000, -0.0001777500000000 ]  - [  -0.0000006600000000,  0.0000434500000000, -0.0001513100000000 ]  - [  -0.0032757400000000, -0.0000851400000000, -0.0001347400000000 ]  - [   0.0009393600000000, -0.0001258600000000, -0.0001226900000000 ]  - [  -0.0001366900000000, -0.0003975300000000, -0.0003874300000000 ]  - [   0.0001650200000000,  0.0006699300000000,  0.0000150600000000 ]  - [   0.0124056100000000,  0.0114719500000000, -0.0017989500000000 ]  - [   0.0127534700000000, -0.0084932800000000, -0.0007659500000000 ]  - [   0.0014609900000000,  0.0002072600000000, -0.0005203800000000 ]  - [  -0.0047352300000000,  0.0010801500000000,  0.0010590400000000 ]  - [  -0.0000555400000000,  0.0003180400000000, -0.0001199800000000 ]  - [   0.0000907000000000, -0.0002253800000000, -0.0009102700000000 ]  - [   0.0004996700000000, -0.0000546800000000, -0.0005189900000000 ]  - [  -0.0004532500000000, -0.0000802700000000, -0.0005273000000000 ]  - [   0.0004147000000000,  0.0004875400000000, -0.0010690600000000 ]  - [  -0.0002552800000000, -0.0007855200000000,  0.0001454600000000 ]  - [   0.0015761800000000, -0.0004558400000000, -0.0005187500000000 ]  - [  -0.0010235200000000,  0.0004300600000000, -0.0006346500000000 ]  - [  -0.0028818400000000, -0.0006277900000000, -0.0013599700000000 ]  - [   0.0016960800000000,  0.0006378000000000, -0.0005202600000000 ]  - [   0.0008074200000000, -0.0029063200000000,  0.0019554600000000 ]  - [   0.0009406500000000,  0.0014242400000000, -0.0021471900000000 ]  - [  -0.0001844400000000,  0.0000511400000000, -0.0005558400000000 ]  - [   0.0002217200000000, -0.0000525200000000, -0.0005195300000000 ]  - [  -0.0000371300000000, -0.0001172400000000, -0.0005789100000000 ]  - [   0.0000341500000000,  0.0000936900000000, -0.0004230500000000 ]  - [  -0.0015229000000000,  0.0009285200000000,  0.0000711900000000 ]  - [   0.0013919500000000, -0.0006749500000000, -0.0005202600000000 ]  - [   0.0053306000000000, -0.0019458800000000, -0.0034160600000000 ]  - [   0.0043657300000000,  0.0054361700000000,  0.0017642300000000 ]  - [   0.0030951100000000, -0.0004310200000000,  0.0002921800000000 ]  - [  -0.0013503000000000,  0.0003662200000000, -0.0004999100000000 ]  - [  -0.0011326600000000,  0.0015878300000000, -0.0005471900000000 ]  - [   0.0004173200000000, -0.0028579900000000,  0.0012783200000000 ]  - [   0.0006555000000000, -0.0005860100000000,  0.0001700600000000 ]  - [  -0.0003878700000000, -0.0001347900000000,  0.0002420800000000 ]  - [  -0.0002871600000000,  0.0006802700000000, -0.0005471800000000 ]  - [   0.0000245900000000, -0.0005687200000000,  0.0006515000000000 ]  - [   0.0000915700000000, -0.0002236200000000,  0.0003108800000000 ]  - [  -0.0001631800000000, -0.0000931800000000,  0.0001462100000000 ]  - [  -0.0001048000000000, -0.0001196200000000,  0.0002320700000000 ]  - [   0.0000133000000000, -0.0002092400000000,  0.0002060700000000 ]  - [  -0.0001888700000000, -0.0006871700000000, -0.0000115500000000 ]  - [   0.0000502200000000, -0.0000148300000000, -0.0000929500000000 ]  - [  -0.0015025000000000, -0.0001678700000000,  0.0003407900000000 ]  - [   0.0003814100000000, -0.0022034300000000, -0.0011327600000000 ]  - [   0.0006208500000000,  0.0002962300000000,  0.0006405100000000 ]  - [  -0.0001202200000000, -0.0000337600000000,  0.0001711000000000 ]  - [  -0.0000685900000000,  0.0002158100000000, -0.0002818800000000 ]  - [   0.0000814500000000, -0.0001881200000000,  0.0007715800000000 ]  - [   0.0001551600000000,  0.0000298700000000,  0.0002380800000000 ]  - [   0.0001518800000000,  0.0000209900000000,  0.0001937200000000 ]  - [   0.0001343200000000,  0.0001226100000000,  0.0003312800000000 ]  - [   0.0001784600000000, -0.0000071100000000,  0.0001338100000000 ]  - [   0.0004471500000000, -0.0030090800000000, -0.0010269700000000 ]  - [  -0.0013546800000000,  0.0023053300000000,  0.0014875200000000 ]  - [  -0.0006769500000000,  0.0004535100000000,  0.0004417900000000 ]  - [   0.0041961700000000, -0.0000118600000000, -0.0015963000000000 ]  - [   0.0000771100000000,  0.0000430800000000,  0.0001470200000000 ]  - [   0.0000014300000000,  0.0002658600000000,  0.0003224700000000 ]  - [  -0.0000630900000000,  0.0002209500000000,  0.0002290500000000 ]  - [   0.0001402200000000,  0.0001238300000000,  0.0002286800000000 ]  - [   0.0000092300000000, -0.0000703000000000,  0.0002873300000000 ]  - [  -0.0000432400000000,  0.0005276500000000,  0.0003271400000000 ]  - [  -0.0010422400000000,  0.0005517000000000,  0.0009296300000000 ]  - [   0.0010166900000000, -0.0002926600000000, -0.0002968300000000 ]  - [   0.0023603200000000, -0.0011154600000000,  0.0031827900000000 ]  - [  -0.0019123400000000, -0.0005216600000000,  0.0011406600000000 ]  - [  -0.0002021100000000,  0.0001166100000000,  0.0001984300000000 ]  - [  -0.0003852400000000, -0.0008095300000000,  0.0001828200000000 ]  - [  -0.0001328600000000, -0.0000791400000000,  0.0001671800000000 ]  - [  -0.0001981700000000, -0.0000338200000000,  0.0002976700000000 ]  - [  -0.0002300000000000, -0.0000266800000000,  0.0002402800000000 ]  - [  -0.0000845800000000, -0.0000292600000000,  0.0001920300000000 ]  - [  -0.0002507800000000, -0.0005717900000000,  0.0010162300000000 ]  - [  -0.0003342400000000,  0.0005951300000000, -0.0005866000000000 ]  - [  -0.0004067000000000, -0.0005132600000000,  0.0007505200000000 ]  - [   0.0000497200000000, -0.0001117700000000,  0.0000879300000000 ]  - [  -0.0031877600000000, -0.0004289500000000, -0.0009911400000000 ]  - [   0.0024481800000000,  0.0009083400000000, -0.0006963900000000 ]  - [  -0.0003690800000000, -0.0004694200000000,  0.0000440800000000 ]  - [   0.0017898900000000, -0.0000621000000000,  0.0005684900000000 ]  - [   0.0000638700000000, -0.0001503200000000,  0.0001703300000000 ]  - [   0.0001886200000000, -0.0000843800000000,  0.0002891500000000 ]  - [   0.0000006400000000, -0.0001016200000000,  0.0002156200000000 ]  - [   0.0002340900000000, -0.0001002400000000,  0.0002400900000000 ]  - [  -0.0001898600000000, -0.0002151400000000,  0.0002698300000000 ]  - [   0.0005021700000000,  0.0003213800000000, -0.0000333600000000 ]  - [  -0.0012857500000000, -0.0008759000000000, -0.0009964500000000 ]  - [   0.0007758800000000,  0.0002162200000000,  0.0009841400000000 ]  - [   0.0014254400000000,  0.0004859200000000, -0.0009272500000000 ]  - [  -0.0013425200000000, -0.0006950200000000,  0.0012779800000000 ]  - [  -0.0000111400000000,  0.0012571500000000,  0.0013834600000000 ]  - [  -0.0030011900000000, -0.0000273600000000,  0.0012448000000000 ]  - [   0.0002969100000000,  0.0002489200000000,  0.0003146600000000 ]  - [  -0.0005290400000000,  0.0000273000000000,  0.0002719300000000 ]  - [   0.0003532600000000,  0.0004513800000000, -0.0002565900000000 ]  - [  -0.0005270100000000,  0.0000443300000000,  0.0005908200000000 ]  - [   0.0000002600000000,  0.0001951100000000,  0.0001473900000000 ]  - [  -0.0002686000000000,  0.0000348200000000,  0.0003452400000000 ]  - [  -0.0000401300000000,  0.0001536000000000,  0.0002404600000000 ]  - [  -0.0002058800000000,  0.0000733200000000,  0.0002142300000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0285070500000000, -0.0001625200000000, -0.0002752500000000 ]  - [  -0.0015094800000000,  0.0003580500000000, -0.0000399300000000 ]  - [   0.0002309100000000,  0.0006459100000000, -0.0007621200000000 ]  - [  -0.0003883100000000, -0.0010049000000000,  0.0003091900000000 ]  - [   0.0002342600000000, -0.0000394300000000, -0.0001646800000000 ]  - [  -0.0002225900000000,  0.0000137600000000, -0.0001919100000000 ]  - [   0.0000115600000000,  0.0001684900000000, -0.0002252300000000 ]  - [   0.0000286000000000, -0.0001118100000000, -0.0000764500000000 ]  - [   0.0002347400000000,  0.0000381500000000, -0.0001647400000000 ]  - [  -0.0002229300000000, -0.0000349700000000, -0.0001735000000000 ]  - [   0.0000119600000000,  0.0001199700000000, -0.0001354700000000 ]  - [   0.0000281300000000, -0.0001608000000000, -0.0001854400000000 ]  - [   0.0032760400000000, -0.0000878600000000, -0.0001926600000000 ]  - [  -0.0009396200000000,  0.0002240400000000, -0.0002093400000000 ]  - [   0.0001371100000000,  0.0004961100000000,  0.0002347900000000 ]  - [  -0.0001654200000000, -0.0005717100000000, -0.0005192600000000 ]  - [   0.0000703300000000,  0.0000011100000000, -0.0001641300000000 ]  - [  -0.0000702200000000,  0.0000027300000000, -0.0001656200000000 ]  - [   0.0000037400000000,  0.0000418600000000, -0.0001518400000000 ]  - [   0.0000004900000000, -0.0000417500000000, -0.0001773900000000 ]  - [   0.0032777000000000,  0.0000904300000000, -0.0001350200000000 ]  - [  -0.0009399500000000,  0.0001285600000000, -0.0002085900000000 ]  - [   0.0001380200000000,  0.0003988300000000,  0.0000590900000000 ]  - [  -0.0001680300000000, -0.0006703500000000, -0.0003451500000000 ]  - [  -0.0123018400000000, -0.0113722200000000,  0.0008055600000000 ]  - [  -0.0128409600000000,  0.0086186200000000, -0.0002213000000000 ]  - [  -0.0014662000000000, -0.0002140800000000, -0.0005204600000000 ]  - [   0.0047159500000000, -0.0010179500000000, -0.0020908100000000 ]  - [   0.0000520800000000, -0.0003177800000000, -0.0009173400000000 ]  - [  -0.0000949100000000,  0.0002266300000000, -0.0001279200000000 ]  - [  -0.0005031000000000,  0.0000554400000000, -0.0005189600000000 ]  - [   0.0004497200000000,  0.0000816000000000, -0.0005122900000000 ]  - [  -0.0004198800000000, -0.0004844800000000,  0.0000320500000000 ]  - [   0.0002542900000000,  0.0007900600000000, -0.0011853400000000 ]  - [  -0.0015849100000000,  0.0004555400000000, -0.0005187600000000 ]  - [   0.0010201400000000, -0.0004317400000000, -0.0004049300000000 ]  - [   0.0028814200000000,  0.0006240800000000,  0.0003202900000000 ]  - [  -0.0016923800000000, -0.0006348400000000, -0.0005204200000000 ]  - [  -0.0008041000000000,  0.0029011100000000, -0.0029854600000000 ]  - [  -0.0009287700000000, -0.0014330400000000,  0.0011132600000000 ]  - [   0.0001874900000000, -0.0000511500000000, -0.0004822500000000 ]  - [  -0.0002188600000000,  0.0000514300000000, -0.0005195000000000 ]  - [   0.0000413800000000,  0.0001160300000000, -0.0004593500000000 ]  - [  -0.0000312600000000, -0.0000951800000000, -0.0006162000000000 ]  - [   0.0015497400000000, -0.0009539400000000, -0.0011006400000000 ]  - [  -0.0013817200000000,  0.0006792900000000, -0.0005203200000000 ]  - [  -0.0053105900000000,  0.0019163000000000,  0.0023412000000000 ]  - [  -0.0043930900000000, -0.0054503100000000, -0.0028215300000000 ]  - [  -0.0031866100000000,  0.0001204600000000,  0.0001565400000000 ]  - [   0.0012728300000000, -0.0006964700000000,  0.0009574300000000 ]  - [   0.0010576500000000, -0.0019162000000000,  0.0010050900000000 ]  - [  -0.0004967900000000,  0.0025456100000000, -0.0008244000000000 ]  - [  -0.0007322400000000,  0.0002604800000000,  0.0002850100000000 ]  - [   0.0003094600000000, -0.0001921400000000,  0.0002136800000000 ]  - [   0.0002090600000000, -0.0010046300000000,  0.0010022700000000 ]  - [  -0.0001048400000000,  0.0002433900000000, -0.0001957800000000 ]  - [  -0.0001704300000000, -0.0001033800000000,  0.0001450200000000 ]  - [   0.0000845200000000, -0.0002328400000000,  0.0003099800000000 ]  - [   0.0000257600000000, -0.0002061200000000,  0.0002233500000000 ]  - [  -0.0000918400000000, -0.0001169100000000,  0.0002500700000000 ]  - [   0.0005119900000000,  0.0007943900000000,  0.0004705300000000 ]  - [   0.0002637200000000,  0.0001016700000000,  0.0005440800000000 ]  - [   0.0018165200000000,  0.0002672500000000,  0.0001242800000000 ]  - [  -0.0003110300000000,  0.0022244800000000,  0.0013854700000000 ]  - [  -0.0003050700000000, -0.0002040100000000, -0.0001861600000000 ]  - [   0.0004380100000000,  0.0001265100000000,  0.0002851400000000 ]  - [   0.0003862100000000, -0.0001229000000000,  0.0007367200000000 ]  - [   0.0002333700000000,  0.0002815400000000, -0.0003146300000000 ]  - [   0.0001616900000000,  0.0000626500000000,  0.0002172900000000 ]  - [   0.0001662400000000,  0.0000727800000000,  0.0002627900000000 ]  - [   0.0001823700000000, -0.0000302700000000,  0.0001241700000000 ]  - [   0.0001402400000000,  0.0001007100000000,  0.0003226700000000 ]  - [  -0.0003689100000000,  0.0033262100000000,  0.0014777700000000 ]  - [   0.0014231400000000, -0.0019734100000000, -0.0010388600000000 ]  - [   0.0007551200000000, -0.0001238500000000,  0.0000146600000000 ]  - [  -0.0041123200000000,  0.0003238800000000,  0.0020524100000000 ]  - [   0.0000016000000000,  0.0002834800000000,  0.0003090100000000 ]  - [   0.0000770900000000,  0.0000593100000000,  0.0001333900000000 ]  - [   0.0001415700000000,  0.0001060700000000,  0.0002273000000000 ]  - [  -0.0000613500000000,  0.0002011900000000,  0.0002275900000000 ]  - [   0.0000719100000000,  0.0003957400000000,  0.0001657100000000 ]  - [   0.0001210500000000, -0.0002035500000000,  0.0001280200000000 ]  - [   0.0011246300000000, -0.0002244100000000, -0.0004746900000000 ]  - [  -0.0009397200000000,  0.0006205900000000,  0.0007566600000000 ]  - [  -0.0022566100000000,  0.0011306200000000, -0.0024352000000000 ]  - [   0.0015892000000000,  0.0004177400000000, -0.0006877400000000 ]  - [  -0.0001141300000000, -0.0002087800000000,  0.0002566200000000 ]  - [   0.0000627700000000,  0.0007020500000000,  0.0002747200000000 ]  - [  -0.0001832000000000, -0.0000130100000000,  0.0002883000000000 ]  - [  -0.0001188600000000, -0.0000593000000000,  0.0001581100000000 ]  - [  -0.0000869600000000, -0.0000662700000000,  0.0002149400000000 ]  - [  -0.0002329700000000, -0.0000637600000000,  0.0002639000000000 ]  - [  -0.0000659900000000,  0.0004779000000000, -0.0005613900000000 ]  - [   0.0000161200000000, -0.0006909300000000,  0.0010450000000000 ]  - [   0.0000901400000000,  0.0004248400000000, -0.0002993100000000 ]  - [  -0.0003671500000000,  0.0000188200000000,  0.0003679800000000 ]  - [   0.0034409000000000,  0.0002044900000000,  0.0014434700000000 ]  - [  -0.0023554300000000, -0.0010000900000000,  0.0012690100000000 ]  - [   0.0006099600000000,  0.0002427900000000,  0.0004130100000000 ]  - [  -0.0015395200000000, -0.0001642700000000, -0.0001078700000000 ]  - [   0.0001771600000000, -0.0000771000000000,  0.0002875000000000 ]  - [   0.0000537800000000, -0.0001439000000000,  0.0001690500000000 ]  - [   0.0002404800000000, -0.0001258600000000,  0.0002427100000000 ]  - [   0.0000067600000000, -0.0001273700000000,  0.0002175900000000 ]  - [   0.0004310300000000, -0.0000124100000000,  0.0001889200000000 ]  - [  -0.0002644600000000, -0.0005520600000000,  0.0004904200000000 ]  - [   0.0015316000000000,  0.0006511300000000,  0.0014577200000000 ]  - [  -0.0005340800000000, -0.0004433200000000, -0.0005258200000000 ]  - [  -0.0016757500000000, -0.0002603700000000,  0.0013922900000000 ]  - [   0.0010959300000000,  0.0009191000000000, -0.0008160800000000 ]  - [  -0.0001389200000000, -0.0010953500000000, -0.0010025000000000 ]  - [   0.0027609200000000,  0.0002518500000000, -0.0007891400000000 ]  - [  -0.0005379200000000, -0.0000198300000000,  0.0001432200000000 ]  - [   0.0002863100000000,  0.0001996500000000,  0.0001862400000000 ]  - [  -0.0005915300000000, -0.0002237800000000,  0.0007148400000000 ]  - [   0.0002831800000000,  0.0001838300000000, -0.0001321100000000 ]  - [  -0.0002414700000000,  0.0000324000000000,  0.0003104500000000 ]  - [   0.0000272900000000,  0.0001932500000000,  0.0001123700000000 ]  - [  -0.0002018300000000,  0.0000743300000000,  0.0002176000000000 ]  - [  -0.0000350800000000,  0.0001542700000000,  0.0002436700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0403266100000000 ]  - [  -0.0001247300000000, -0.0006183700000000, -0.0012292200000000 ]  - [   0.0005978900000000,  0.0002011600000000, -0.0012292200000000 ]  - [  -0.0004731600000000,  0.0004172100000000, -0.0012292200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003523900000000 ]  - [   0.0000087600000000,  0.0000292600000000,  0.0001694000000000 ]  - [  -0.0000297200000000, -0.0000070400000000,  0.0001694000000000 ]  - [   0.0000209600000000, -0.0000222200000000,  0.0001694000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003493900000000 ]  - [   0.0000277100000000, -0.0000863600000000,  0.0001700300000000 ]  - [   0.0000609400000000,  0.0000671800000000,  0.0001700300000000 ]  - [  -0.0000886500000000,  0.0000191800000000,  0.0001700300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0108924200000000 ]  - [  -0.0000432200000000, -0.0002327200000000, -0.0001458600000000 ]  - [   0.0002231500000000,  0.0000789300000000, -0.0001458600000000 ]  - [  -0.0001799300000000,  0.0001537900000000, -0.0001458600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002159700000000 ]  - [  -0.0000006200000000, -0.0000146200000000,  0.0001985000000000 ]  - [   0.0000129700000000,  0.0000067700000000,  0.0001985000000000 ]  - [  -0.0000123500000000,  0.0000078500000000,  0.0001985000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0106814700000000 ]  - [  -0.0000451800000000, -0.0004363500000000, -0.0001461200000000 ]  - [   0.0004004800000000,  0.0001790400000000, -0.0001461200000000 ]  - [  -0.0003553000000000,  0.0002573100000000, -0.0001461200000000 ]  - [   0.0024165600000000,  0.0039032600000000, -0.0078604100000000 ]  - [  -0.0045886000000000,  0.0001411800000000, -0.0078604100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036196000000000 ]  - [   0.0021720400000000, -0.0040444300000000, -0.0078604100000000 ]  - [   0.0001793200000000,  0.0000663500000000,  0.0007201900000000 ]  - [  -0.0001471200000000,  0.0001221200000000,  0.0007201900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005598500000000 ]  - [  -0.0000322000000000, -0.0001884700000000,  0.0007201900000000 ]  - [  -0.0008883200000000, -0.0003467400000000,  0.0005912800000000 ]  - [   0.0007444400000000, -0.0005959400000000,  0.0005912800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008364100000000 ]  - [   0.0001438800000000,  0.0009426800000000,  0.0005912800000000 ]  - [   0.0001804300000000,  0.0024845400000000,  0.0006409500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003294500000000 ]  - [   0.0020614600000000, -0.0013985200000000,  0.0006409500000000 ]  - [  -0.0022418900000000, -0.0010860100000000,  0.0006409500000000 ]  - [   0.0000309200000000,  0.0000368300000000,  0.0007099800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005927600000000 ]  - [   0.0000164300000000, -0.0000452000000000,  0.0007099800000000 ]  - [  -0.0000473600000000,  0.0000083700000000,  0.0007099800000000 ]  - [   0.0022034800000000, -0.0046325200000000,  0.0009261900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017342800000000 ]  - [  -0.0051136200000000,  0.0004079900000000,  0.0009261900000000 ]  - [   0.0029101400000000,  0.0042245300000000,  0.0009261900000000 ]  - [  -0.0002830200000000,  0.0014517100000000,  0.0022461700000000 ]  - [   0.0005398300000000, -0.0000994700000000,  0.0011178000000000 ]  - [   0.0014170200000000, -0.0019272900000000,  0.0012792400000000 ]  - [   0.0007088300000000, -0.0021475400000000,  0.0017547100000000 ]  - [  -0.0001862700000000, -0.0008559300000000, -0.0004536000000000 ]  - [  -0.0001453200000000, -0.0000586900000000, -0.0001326300000000 ]  - [  -0.0004186300000000,  0.0003696500000000, -0.0003356700000000 ]  - [  -0.0000120900000000,  0.0001425600000000, -0.0002097600000000 ]  - [  -0.0001474000000000, -0.0000404800000000, -0.0002964200000000 ]  - [  -0.0002394200000000, -0.0000314500000000, -0.0002696300000000 ]  - [  -0.0002406700000000, -0.0000223100000000, -0.0003331900000000 ]  - [  -0.0001657900000000, -0.0000789400000000, -0.0002731300000000 ]  - [   0.0009605700000000,  0.0021908200000000,  0.0012792400000000 ]  - [  -0.0001837700000000,  0.0005172400000000,  0.0011178000000000 ]  - [   0.0015054100000000,  0.0016876300000000,  0.0017547100000000 ]  - [  -0.0011157100000000, -0.0009709600000000,  0.0022461700000000 ]  - [  -0.0001108100000000, -0.0005473700000000, -0.0003356700000000 ]  - [   0.0001234900000000, -0.0000965100000000, -0.0001326300000000 ]  - [  -0.0001174200000000, -0.0000817500000000, -0.0002097600000000 ]  - [   0.0008343900000000,  0.0002666500000000, -0.0004536000000000 ]  - [   0.0001396500000000, -0.0001972700000000, -0.0003331900000000 ]  - [   0.0001469500000000, -0.0001916200000000, -0.0002696300000000 ]  - [   0.0001512600000000, -0.0001041100000000, -0.0002731300000000 ]  - [   0.0001087600000000, -0.0001074100000000, -0.0002964200000000 ]  - [   0.0001467700000000, -0.0014674600000000,  0.0006727600000000 ]  - [   0.0012591300000000, -0.0012789200000000,  0.0007343100000000 ]  - [  -0.0002543600000000,  0.0006473700000000,  0.0012986000000000 ]  - [  -0.0008070600000000,  0.0014449200000000,  0.0077400500000000 ]  - [   0.0001837300000000,  0.0000302900000000, -0.0002842200000000 ]  - [   0.0002104600000000,  0.0000105200000000, -0.0002980000000000 ]  - [   0.0001981000000000,  0.0000564500000000, -0.0002856600000000 ]  - [   0.0001929900000000,  0.0000809700000000, -0.0003023800000000 ]  - [   0.0004008700000000,  0.0002080500000000, -0.0002018600000000 ]  - [  -0.0003313400000000,  0.0004510800000000,  0.0003504500000000 ]  - [   0.0005360000000000,  0.0000628100000000, -0.0004203500000000 ]  - [   0.0001876500000000, -0.0006531900000000, -0.0008857000000000 ]  - [  -0.0008478100000000, -0.0014214000000000,  0.0077400500000000 ]  - [   0.0011974700000000,  0.0008608400000000,  0.0006727600000000 ]  - [  -0.0004334500000000, -0.0005439700000000,  0.0012986000000000 ]  - [   0.0004780100000000,  0.0017299000000000,  0.0007343100000000 ]  - [  -0.0001666200000000,  0.0001266500000000, -0.0003023800000000 ]  - [  -0.0001181000000000,  0.0001439600000000, -0.0002842200000000 ]  - [  -0.0001479400000000,  0.0001433400000000, -0.0002856600000000 ]  - [  -0.0001143400000000,  0.0001770100000000, -0.0002980000000000 ]  - [   0.0004718500000000,  0.0004891000000000, -0.0008857000000000 ]  - [  -0.0003806100000000,  0.0002431400000000, -0.0002018600000000 ]  - [  -0.0003224000000000,  0.0004327900000000, -0.0004203500000000 ]  - [  -0.0002249800000000, -0.0005124900000000,  0.0003504500000000 ]  - [  -0.0017371400000000, -0.0004509800000000,  0.0007343100000000 ]  - [   0.0016548700000000, -0.0000235300000000,  0.0077400500000000 ]  - [   0.0006878200000000, -0.0001034000000000,  0.0012986000000000 ]  - [  -0.0013442400000000,  0.0006066200000000,  0.0006727600000000 ]  - [  -0.0000961200000000, -0.0001875300000000, -0.0002980000000000 ]  - [  -0.0000263700000000, -0.0002076200000000, -0.0003023800000000 ]  - [  -0.0000501700000000, -0.0001997900000000, -0.0002856600000000 ]  - [  -0.0000656300000000, -0.0001742600000000, -0.0002842200000000 ]  - [   0.0005563200000000,  0.0000614100000000,  0.0003504500000000 ]  - [  -0.0006595000000000,  0.0001640800000000, -0.0008857000000000 ]  - [  -0.0002136000000000, -0.0004956000000000, -0.0004203500000000 ]  - [  -0.0000202600000000, -0.0004511900000000, -0.0002018600000000 ]  - [  -0.0022142400000000,  0.0004599100000000,  0.0017547100000000 ]  - [  -0.0003560500000000, -0.0004177700000000,  0.0011178000000000 ]  - [   0.0013987300000000, -0.0004807500000000,  0.0022461700000000 ]  - [  -0.0023775900000000, -0.0002635300000000,  0.0012792400000000 ]  - [   0.0001295100000000, -0.0000608100000000, -0.0002097600000000 ]  - [   0.0000218300000000,  0.0001552000000000, -0.0001326300000000 ]  - [  -0.0006481200000000,  0.0005892800000000, -0.0004536000000000 ]  - [   0.0005294400000000,  0.0001777200000000, -0.0003356700000000 ]  - [   0.0000145300000000,  0.0001830500000000, -0.0002731300000000 ]  - [   0.0000924700000000,  0.0002230700000000, -0.0002696300000000 ]  - [   0.0000386400000000,  0.0001478900000000, -0.0002964200000000 ]  - [   0.0001010200000000,  0.0002195800000000, -0.0003331900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0398037100000000 ]  - [   0.0001245000000000,  0.0006190400000000,  0.0009027800000000 ]  - [  -0.0005983500000000, -0.0002017000000000,  0.0009027800000000 ]  - [   0.0004738500000000, -0.0004173400000000,  0.0009027800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006801500000000 ]  - [  -0.0000085600000000, -0.0000289900000000, -0.0004991900000000 ]  - [   0.0000293800000000,  0.0000070800000000, -0.0004991900000000 ]  - [  -0.0000208300000000,  0.0000219000000000, -0.0004991900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006823900000000 ]  - [  -0.0000276000000000,  0.0000854500000000, -0.0004985200000000 ]  - [  -0.0000602000000000, -0.0000666200000000, -0.0004985200000000 ]  - [   0.0000878000000000, -0.0000188200000000, -0.0004985200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0110125200000000 ]  - [   0.0000430500000000,  0.0002333800000000, -0.0001832200000000 ]  - [  -0.0002236300000000, -0.0000794100000000, -0.0001832200000000 ]  - [   0.0001805900000000, -0.0001539700000000, -0.0001832200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005469500000000 ]  - [   0.0000006700000000,  0.0000146100000000, -0.0005281100000000 ]  - [  -0.0000129900000000, -0.0000067300000000, -0.0005281100000000 ]  - [   0.0000123200000000, -0.0000078800000000, -0.0005281100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0112262300000000 ]  - [   0.0000453200000000,  0.0004357800000000, -0.0001836800000000 ]  - [  -0.0004000500000000, -0.0001786400000000, -0.0001836800000000 ]  - [   0.0003547400000000, -0.0002571400000000, -0.0001836800000000 ]  - [  -0.0024742000000000, -0.0039428900000000,  0.0068366400000000 ]  - [   0.0046517500000000, -0.0001712800000000,  0.0068366400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025851500000000 ]  - [  -0.0021775400000000,  0.0041141700000000,  0.0068366400000000 ]  - [  -0.0001768100000000, -0.0000673000000000, -0.0017588300000000 ]  - [   0.0001466900000000, -0.0001194800000000, -0.0017588300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015991400000000 ]  - [   0.0000301300000000,  0.0001867700000000, -0.0017588300000000 ]  - [   0.0008941500000000,  0.0003508100000000, -0.0016297800000000 ]  - [  -0.0007508900000000,  0.0005989500000000, -0.0016297800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018716400000000 ]  - [  -0.0001432700000000, -0.0009497600000000, -0.0016297800000000 ]  - [  -0.0001886400000000, -0.0024774200000000, -0.0016863400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013710400000000 ]  - [  -0.0020511900000000,  0.0014020800000000, -0.0016863400000000 ]  - [   0.0022398300000000,  0.0010753400000000, -0.0016863400000000 ]  - [  -0.0000317700000000, -0.0000340300000000, -0.0017485100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016322900000000 ]  - [  -0.0000135900000000,  0.0000445300000000, -0.0017485100000000 ]  - [   0.0000453600000000, -0.0000105000000000, -0.0017485100000000 ]  - [  -0.0022012700000000,  0.0046499600000000, -0.0019875200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006993800000000 ]  - [   0.0051276200000000, -0.0004186200000000, -0.0019875200000000 ]  - [  -0.0029263500000000, -0.0042313400000000, -0.0019875200000000 ]  - [   0.0002401100000000, -0.0016290500000000, -0.0019099700000000 ]  - [  -0.0006167700000000, -0.0002229500000000, -0.0006617500000000 ]  - [  -0.0015015500000000,  0.0016089200000000, -0.0008203400000000 ]  - [  -0.0007831300000000,  0.0018315700000000, -0.0012948700000000 ]  - [   0.0001078100000000,  0.0005234300000000,  0.0009093700000000 ]  - [   0.0000679700000000, -0.0002638900000000,  0.0005915800000000 ]  - [   0.0003407300000000, -0.0006915300000000,  0.0007951800000000 ]  - [  -0.0000666900000000, -0.0004637200000000,  0.0006685500000000 ]  - [   0.0000700800000000, -0.0002828200000000,  0.0007550300000000 ]  - [   0.0001621700000000, -0.0002907400000000,  0.0007278000000000 ]  - [   0.0001618500000000, -0.0002988100000000,  0.0007898000000000 ]  - [   0.0000883900000000, -0.0002427500000000,  0.0007304800000000 ]  - [  -0.0006425900000000, -0.0021048400000000, -0.0008203400000000 ]  - [   0.0005014700000000, -0.0004226700000000, -0.0006617500000000 ]  - [  -0.0011946200000000, -0.0015939900000000, -0.0012948700000000 ]  - [   0.0012907400000000,  0.0010224600000000, -0.0019099700000000 ]  - [   0.0004285200000000,  0.0006408400000000,  0.0007951800000000 ]  - [   0.0001945500000000,  0.0001908100000000,  0.0005915800000000 ]  - [   0.0004349400000000,  0.0001741100000000,  0.0006685500000000 ]  - [  -0.0005072000000000, -0.0001683500000000,  0.0009093700000000 ]  - [   0.0001778500000000,  0.0002895700000000,  0.0007898000000000 ]  - [   0.0001707000000000,  0.0002858100000000,  0.0007278000000000 ]  - [   0.0001660300000000,  0.0001979300000000,  0.0007304800000000 ]  - [   0.0002098900000000,  0.0002021000000000,  0.0007550300000000 ]  - [  -0.0000694500000000,  0.0017929100000000, -0.0002174500000000 ]  - [  -0.0011838500000000,  0.0016037500000000, -0.0002783900000000 ]  - [   0.0003323400000000, -0.0003264800000000, -0.0008423600000000 ]  - [   0.0008150700000000, -0.0013387100000000, -0.0071198300000000 ]  - [  -0.0001059000000000,  0.0002926700000000,  0.0007415500000000 ]  - [  -0.0001325400000000,  0.0003101800000000,  0.0007549500000000 ]  - [  -0.0001206900000000,  0.0002662500000000,  0.0007433800000000 ]  - [  -0.0001148900000000,  0.0002405300000000,  0.0007591200000000 ]  - [  -0.0003224000000000,  0.0001136200000000,  0.0006575700000000 ]  - [   0.0004101700000000, -0.0001327600000000,  0.0001046600000000 ]  - [  -0.0004559600000000,  0.0002591900000000,  0.0008751900000000 ]  - [  -0.0001096900000000,  0.0009829800000000,  0.0013497500000000 ]  - [   0.0007518200000000,  0.0013752300000000, -0.0071198300000000 ]  - [  -0.0015179800000000, -0.0009566000000000, -0.0002174500000000 ]  - [   0.0001165700000000,  0.0004510500000000, -0.0008423600000000 ]  - [  -0.0007969700000000, -0.0018271200000000, -0.0002783900000000 ]  - [  -0.0001508500000000, -0.0002197600000000,  0.0007591200000000 ]  - [  -0.0002005100000000, -0.0002380400000000,  0.0007415500000000 ]  - [  -0.0001702400000000, -0.0002376400000000,  0.0007433800000000 ]  - [  -0.0002023600000000, -0.0002698700000000,  0.0007549500000000 ]  - [  -0.0007964400000000, -0.0005864800000000,  0.0013497500000000 ]  - [   0.0000628100000000, -0.0003360100000000,  0.0006575700000000 ]  - [   0.0000035100000000, -0.0005244700000000,  0.0008751900000000 ]  - [  -0.0000901100000000,  0.0004216000000000,  0.0001046600000000 ]  - [   0.0019808100000000,  0.0002233600000000, -0.0002783900000000 ]  - [  -0.0015668900000000, -0.0000365200000000, -0.0071198300000000 ]  - [  -0.0004489100000000, -0.0001245700000000, -0.0008423600000000 ]  - [   0.0015874300000000, -0.0008363100000000, -0.0002174500000000 ]  - [   0.0003348900000000, -0.0000403100000000,  0.0007549500000000 ]  - [   0.0002657500000000, -0.0000207600000000,  0.0007591200000000 ]  - [   0.0002909300000000, -0.0000286100000000,  0.0007433800000000 ]  - [   0.0003064100000000, -0.0000546200000000,  0.0007415500000000 ]  - [  -0.0003200600000000, -0.0002888400000000,  0.0001046600000000 ]  - [   0.0009061300000000, -0.0003964900000000,  0.0013497500000000 ]  - [   0.0004524500000000,  0.0002652800000000,  0.0008751900000000 ]  - [   0.0002595900000000,  0.0002224000000000,  0.0006575700000000 ]  - [   0.0019777500000000, -0.0002375800000000, -0.0012948700000000 ]  - [   0.0001153000000000,  0.0006456200000000, -0.0006617500000000 ]  - [  -0.0015308500000000,  0.0006065900000000, -0.0019099700000000 ]  - [   0.0021441400000000,  0.0004959200000000, -0.0008203400000000 ]  - [  -0.0003682500000000,  0.0002896100000000,  0.0006685500000000 ]  - [  -0.0002625200000000,  0.0000730900000000,  0.0005915800000000 ]  - [   0.0003994000000000, -0.0003550800000000,  0.0009093700000000 ]  - [  -0.0007692500000000,  0.0000506900000000,  0.0007951800000000 ]  - [  -0.0002544300000000,  0.0000448300000000,  0.0007304800000000 ]  - [  -0.0003328700000000,  0.0000049300000000,  0.0007278000000000 ]  - [  -0.0002799700000000,  0.0000807200000000,  0.0007550300000000 ]  - [  -0.0003397000000000,  0.0000092400000000,  0.0007898000000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0122945800000000,  0.0087359100000000,  0.0022785800000000 ]  - [   0.0128712200000000, -0.0112323300000000, -0.0047895300000000 ]  - [   0.0014613500000000, -0.0002051200000000, -0.0001580400000000 ]  - [  -0.0047277200000000, -0.0015910800000000,  0.0020309600000000 ]  - [   0.0004207400000000,  0.0003966800000000, -0.0010575000000000 ]  - [  -0.0002572800000000, -0.0008739300000000,  0.0005786100000000 ]  - [   0.0015798700000000,  0.0004587700000000, -0.0001693900000000 ]  - [  -0.0010195700000000,  0.0003418200000000, -0.0000230100000000 ]  - [  -0.0000531900000000,  0.0003088500000000,  0.0000085600000000 ]  - [   0.0000928100000000, -0.0002345300000000, -0.0003150900000000 ]  - [   0.0004989800000000,  0.0000545300000000, -0.0001696300000000 ]  - [  -0.0004511600000000, -0.0000886200000000, -0.0001992900000000 ]  - [   0.0043880600000000,  0.0024578700000000, -0.0030692200000000 ]  - [   0.0053195700000000, -0.0048934700000000,  0.0049637800000000 ]  - [   0.0013868700000000,  0.0006837500000000, -0.0001570900000000 ]  - [  -0.0015415500000000, -0.0020482600000000, -0.0023775900000000 ]  - [   0.0000337800000000,  0.0000753100000000, -0.0001212600000000 ]  - [  -0.0000394100000000, -0.0001347900000000, -0.0001836300000000 ]  - [   0.0002205100000000,  0.0000535200000000, -0.0001686800000000 ]  - [  -0.0001848100000000,  0.0000326500000000, -0.0001999600000000 ]  - [   0.0009305700000000,  0.0028147700000000,  0.0020648200000000 ]  - [   0.0008050300000000, -0.0015083800000000, -0.0022275600000000 ]  - [   0.0016938200000000, -0.0006316200000000, -0.0001675700000000 ]  - [  -0.0028801600000000,  0.0007788400000000, -0.0003523200000000 ]  - [  -0.3915015200000000,  0.0029219300000000, -0.0053445400000000 ]  - [   0.0148004500000000, -0.0000667700000000, -0.0002671500000000 ]  - [   0.0021650200000000, -0.0072466800000000, -0.0021709100000000 ]  - [   0.0022869000000000,  0.0073156500000000,  0.0009177800000000 ]  - [  -0.0030881200000000, -0.0007423500000000, -0.0005384100000000 ]  - [   0.0029067200000000, -0.0000723300000000,  0.0001880700000000 ]  - [  -0.0008665800000000, -0.0011892200000000, -0.0017612800000000 ]  - [   0.0000746800000000,  0.0026306200000000, -0.0000180800000000 ]  - [  -0.0030885200000000,  0.0007385000000000, -0.0005327400000000 ]  - [   0.0029091200000000, -0.0009880800000000, -0.0007219500000000 ]  - [  -0.0008507900000000, -0.0020911800000000,  0.0003531800000000 ]  - [   0.0000663400000000,  0.0017232600000000, -0.0012263500000000 ]  - [   0.0095069300000000, -0.0078297200000000, -0.0086030400000000 ]  - [   0.0100913300000000,  0.0162380400000000,  0.0181922500000000 ]  - [  -0.0111182500000000,  0.0048675100000000, -0.0112347700000000 ]  - [   0.0016726900000000, -0.0004159100000000, -0.0005079200000000 ]  - [   0.0000707600000000,  0.0003916700000000, -0.0004827000000000 ]  - [  -0.0001764200000000, -0.0002485900000000, -0.0004193400000000 ]  - [   0.0005007200000000, -0.0001425900000000, -0.0006935400000000 ]  - [  -0.0004308100000000, -0.0000020900000000, -0.0005300900000000 ]  - [   0.0094070100000000, -0.0165666200000000,  0.0109163300000000 ]  - [   0.0101275200000000,  0.0075272900000000, -0.0132631000000000 ]  - [  -0.0110859500000000, -0.0040223100000000,  0.0006597900000000 ]  - [   0.0016728900000000,  0.0003945800000000, -0.0005215800000000 ]  - [   0.0009779100000000,  0.0087727200000000, -0.0102151200000000 ]  - [  -0.0060732400000000, -0.0026806800000000,  0.0064846800000000 ]  - [  -0.0002687900000000,  0.0015797200000000, -0.0006395200000000 ]  - [   0.0003661400000000, -0.0005368500000000,  0.0001931900000000 ]  - [  -0.0016022600000000,  0.0016240200000000,  0.0031368000000000 ]  - [  -0.0023430500000000, -0.0000209700000000, -0.0035010400000000 ]  - [   0.0010845200000000, -0.0034156200000000,  0.0046061900000000 ]  - [   0.0001673900000000, -0.0000864000000000,  0.0002455800000000 ]  - [   0.0001341000000000, -0.0003082900000000,  0.0002500500000000 ]  - [  -0.0002597700000000, -0.0000287800000000,  0.0001565000000000 ]  - [  -0.0003243000000000,  0.0000110400000000,  0.0000922700000000 ]  - [   0.0002685000000000, -0.0002984200000000,  0.0004191300000000 ]  - [   0.0011874700000000,  0.0050469500000000, -0.0003350100000000 ]  - [  -0.0028793600000000, -0.0032992000000000, -0.0009500200000000 ]  - [   0.0099375500000000,  0.0047134500000000,  0.0055071300000000 ]  - [  -0.0018900300000000, -0.0011925600000000, -0.0005580600000000 ]  - [   0.0005689400000000,  0.0014886300000000,  0.0019322700000000 ]  - [  -0.0036840100000000, -0.0044982800000000, -0.0058763000000000 ]  - [   0.0040174300000000,  0.0046679200000000, -0.0008739000000000 ]  - [  -0.0007566600000000, -0.0003013500000000,  0.0004148700000000 ]  - [   0.0001761400000000, -0.0000478700000000,  0.0000836800000000 ]  - [   0.0001449900000000,  0.0001874900000000,  0.0004262500000000 ]  - [   0.0001710500000000,  0.0000588400000000,  0.0002392600000000 ]  - [   0.0001671700000000,  0.0000210000000000,  0.0002100000000000 ]  - [   0.0462894400000000, -0.0481648700000000, -0.0341182900000000 ]  - [  -0.0037842500000000,  0.0016753500000000,  0.0017427400000000 ]  - [  -0.0004400500000000,  0.0073030300000000,  0.0012320600000000 ]  - [  -0.0015189400000000, -0.0033583200000000, -0.0004862500000000 ]  - [   0.0004609000000000,  0.0001121300000000,  0.0002111700000000 ]  - [  -0.0004290800000000,  0.0002988500000000,  0.0000561200000000 ]  - [  -0.0000683800000000,  0.0006697500000000,  0.0005938000000000 ]  - [   0.0000973300000000, -0.0003934400000000, -0.0000758900000000 ]  - [   0.0020339700000000, -0.0002877400000000, -0.0009047600000000 ]  - [  -0.0019346100000000,  0.0008620500000000,  0.0016461700000000 ]  - [  -0.0000667700000000,  0.0014041000000000,  0.0009260400000000 ]  - [   0.0000628600000000, -0.0008119400000000, -0.0003433700000000 ]  - [   0.1081472600000000,  0.0768938100000000, -0.0675944800000000 ]  - [  -0.0067844100000000, -0.0007961300000000,  0.0010544000000000 ]  - [   0.0001458900000000,  0.0026470400000000, -0.0005823700000000 ]  - [   0.0006164700000000, -0.0032378300000000,  0.0011956700000000 ]  - [   0.0003180000000000,  0.0001942900000000,  0.0001744000000000 ]  - [  -0.0004741900000000,  0.0000352600000000,  0.0000943700000000 ]  - [  -0.0000640500000000, -0.0000782900000000,  0.0006661700000000 ]  - [  -0.0002766800000000, -0.0004756000000000,  0.0001665500000000 ]  - [   0.0012560800000000, -0.0003703700000000, -0.0008298500000000 ]  - [  -0.0011355300000000, -0.0000533400000000,  0.0010828700000000 ]  - [  -0.0005900800000000,  0.0025581200000000, -0.0019249100000000 ]  - [  -0.0001486200000000, -0.0017074700000000,  0.0018069900000000 ]  - [   0.1928044600000000, -0.0410321200000000,  0.1073626300000000 ]  - [  -0.0086212800000000,  0.0007600800000000, -0.0017728700000000 ]  - [  -0.0015832800000000,  0.0021555600000000,  0.0000888200000000 ]  - [  -0.0006287500000000, -0.0015885300000000, -0.0005068900000000 ]  - [   0.0008286100000000, -0.0000634600000000,  0.0003174500000000 ]  - [  -0.0007965100000000, -0.0000656600000000, -0.0000590700000000 ]  - [   0.0005523800000000, -0.0000230100000000,  0.0006812100000000 ]  - [  -0.0002109700000000, -0.0005425000000000, -0.0000223000000000 ]  - [   0.0019391900000000,  0.0000005500000000,  0.0024389700000000 ]  - [  -0.0024342000000000, -0.0004196300000000, -0.0020355900000000 ]  - [   0.0004816800000000,  0.0002597000000000, -0.0000434900000000 ]  - [   0.0005808000000000,  0.0002097500000000,  0.0009842700000000 ]  - [  -0.0061363600000000,  0.0017521400000000,  0.0022628200000000 ]  - [   0.0016402600000000, -0.0004573900000000,  0.0053255600000000 ]  - [   0.0038812200000000, -0.0047084500000000, -0.0054049600000000 ]  - [  -0.0016968200000000,  0.0014416200000000,  0.0010455500000000 ]  - [  -0.0026761500000000,  0.0005267200000000,  0.0020198800000000 ]  - [   0.0034740100000000, -0.0013566400000000, -0.0015517000000000 ]  - [   0.0000357700000000, -0.0014740700000000,  0.0022851100000000 ]  - [  -0.0008351900000000,  0.0009449100000000,  0.0000144800000000 ]  - [  -0.0003027200000000,  0.0000334100000000,  0.0001816500000000 ]  - [   0.0001037700000000,  0.0001829600000000,  0.0002118600000000 ]  - [  -0.0004237500000000, -0.0000756700000000,  0.0004596500000000 ]  - [   0.0001283700000000,  0.0002890300000000,  0.0000699200000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0124144900000000, -0.0088884800000000, -0.0026108900000000 ]  - [  -0.0127250100000000,  0.0111004700000000,  0.0044520800000000 ]  - [  -0.0014631300000000,  0.0002164900000000, -0.0001583100000000 ]  - [   0.0047223700000000,  0.0015312600000000, -0.0023182500000000 ]  - [  -0.0004149100000000, -0.0004026900000000,  0.0007243200000000 ]  - [   0.0002511100000000,  0.0008735700000000, -0.0009155400000000 ]  - [  -0.0015808600000000, -0.0004524600000000, -0.0001694500000000 ]  - [   0.0010228900000000, -0.0003480100000000, -0.0003106600000000 ]  - [   0.0000539900000000, -0.0003124200000000, -0.0003466300000000 ]  - [  -0.0000930900000000,  0.0002319600000000, -0.0000214900000000 ]  - [  -0.0005005800000000, -0.0000551900000000, -0.0001687300000000 ]  - [   0.0004517000000000,  0.0000880800000000, -0.0001376600000000 ]  - [  -0.0043718700000000, -0.0024911400000000,  0.0027678100000000 ]  - [  -0.0053225200000000,  0.0049065700000000, -0.0052776400000000 ]  - [  -0.0013894900000000, -0.0006701200000000, -0.0001567200000000 ]  - [   0.0015302700000000,  0.0020073200000000,  0.0020273700000000 ]  - [  -0.0000328900000000, -0.0000743100000000, -0.0002153100000000 ]  - [   0.0000380100000000,  0.0001363300000000, -0.0001538800000000 ]  - [  -0.0002210600000000, -0.0000503100000000, -0.0001685500000000 ]  - [   0.0001854100000000, -0.0000313100000000, -0.0001371700000000 ]  - [  -0.0009401500000000, -0.0028437800000000, -0.0024169300000000 ]  - [  -0.0008077700000000,  0.0014976200000000,  0.0018851600000000 ]  - [  -0.0016973600000000,  0.0006413900000000, -0.0001678600000000 ]  - [   0.0028816400000000, -0.0007707300000000,  0.0000175600000000 ]  - [   0.3837865400000000,  0.0029232100000000, -0.0052546500000000 ]  - [  -0.0148536200000000,  0.0000768700000000, -0.0007650200000000 ]  - [  -0.0021500800000000,  0.0072388500000000,  0.0011619400000000 ]  - [  -0.0022772500000000, -0.0073137500000000, -0.0019177500000000 ]  - [   0.0030939700000000,  0.0007387600000000, -0.0005385300000000 ]  - [  -0.0029223700000000,  0.0000815500000000, -0.0012416400000000 ]  - [   0.0008434500000000,  0.0011882300000000,  0.0006992500000000 ]  - [  -0.0000590500000000, -0.0026329700000000, -0.0010492700000000 ]  - [   0.0030933600000000, -0.0007428500000000, -0.0005328500000000 ]  - [  -0.0029201000000000,  0.0009869300000000, -0.0003458000000000 ]  - [   0.0008597600000000,  0.0021079100000000, -0.0014170300000000 ]  - [  -0.0000672200000000, -0.0017189600000000,  0.0001672700000000 ]  - [  -0.0094178600000000,  0.0078775600000000,  0.0075936300000000 ]  - [  -0.0101875100000000, -0.0163057000000000, -0.0192867600000000 ]  - [   0.0110665000000000, -0.0047240600000000,  0.0100468800000000 ]  - [  -0.0016704100000000,  0.0003933100000000, -0.0005082000000000 ]  - [  -0.0000657000000000, -0.0003904900000000, -0.0005810000000000 ]  - [   0.0001782800000000,  0.0002499900000000, -0.0006443100000000 ]  - [  -0.0004993800000000,  0.0001409800000000, -0.0003708900000000 ]  - [   0.0004357900000000, -0.0000024000000000, -0.0005302400000000 ]  - [  -0.0095183300000000,  0.0167602500000000, -0.0121079000000000 ]  - [  -0.0101509500000000, -0.0073988900000000,  0.0121113500000000 ]  - [   0.0110995400000000,  0.0040052800000000, -0.0016917400000000 ]  - [  -0.0016709000000000, -0.0004143500000000, -0.0005217300000000 ]  - [  -0.0013334900000000, -0.0092058500000000,  0.0106170500000000 ]  - [   0.0059506000000000,  0.0022870700000000, -0.0059136300000000 ]  - [   0.0001823500000000, -0.0019137500000000,  0.0010857900000000 ]  - [  -0.0004529100000000,  0.0002189800000000,  0.0002501500000000 ]  - [   0.0015130000000000, -0.0019576100000000, -0.0026887800000000 ]  - [   0.0022966900000000, -0.0003197700000000,  0.0039805100000000 ]  - [  -0.0011369400000000,  0.0030209600000000, -0.0040805600000000 ]  - [  -0.0002475600000000, -0.0002283600000000,  0.0002034000000000 ]  - [  -0.0002097700000000, -0.0000198800000000,  0.0002170600000000 ]  - [   0.0001855100000000, -0.0002997600000000,  0.0003104700000000 ]  - [   0.0002493900000000, -0.0003394200000000,  0.0003740500000000 ]  - [  -0.0003450500000000, -0.0000281100000000,  0.0000454500000000 ]  - [  -0.0008916300000000, -0.0049871500000000,  0.0007831600000000 ]  - [   0.0031925300000000,  0.0033649800000000,  0.0013995400000000 ]  - [  -0.0095623200000000, -0.0046233200000000, -0.0050556700000000 ]  - [   0.0022219300000000,  0.0013017000000000,  0.0010200600000000 ]  - [  -0.0002766800000000, -0.0013918400000000, -0.0014700800000000 ]  - [   0.0040459000000000,  0.0046400600000000,  0.0063853100000000 ]  - [  -0.0036762700000000, -0.0045622700000000,  0.0013583900000000 ]  - [   0.0010721000000000,  0.0003993000000000,  0.0000347800000000 ]  - [   0.0001398600000000,  0.0001432700000000,  0.0003821500000000 ]  - [   0.0001727700000000, -0.0000922800000000,  0.0000390400000000 ]  - [   0.0001457000000000,  0.0000386700000000,  0.0002278700000000 ]  - [   0.0001504900000000,  0.0000770200000000,  0.0002558400000000 ]  - [  -0.0457566400000000,  0.0488493000000000,  0.0349190100000000 ]  - [   0.0038749700000000, -0.0013706300000000, -0.0013128000000000 ]  - [   0.0005199900000000, -0.0069261200000000, -0.0008002200000000 ]  - [   0.0015851600000000,  0.0036927000000000,  0.0009291800000000 ]  - [  -0.0003876900000000,  0.0002191800000000,  0.0002577600000000 ]  - [   0.0005061500000000,  0.0000243900000000,  0.0004071300000000 ]  - [   0.0001462800000000, -0.0003417200000000, -0.0001270900000000 ]  - [  -0.0000249000000000,  0.0007239600000000,  0.0005435000000000 ]  - [  -0.0019641300000000,  0.0006173900000000,  0.0013771800000000 ]  - [   0.0020124300000000, -0.0005370100000000, -0.0011785900000000 ]  - [   0.0001459000000000, -0.0010833600000000, -0.0004694300000000 ]  - [   0.0000141300000000,  0.0011403900000000,  0.0008064600000000 ]  - [  -0.1104428000000000, -0.0806506600000000,  0.0708988400000000 ]  - [   0.0064789100000000,  0.0007184600000000, -0.0006252800000000 ]  - [  -0.0004651100000000, -0.0027485100000000,  0.0010244900000000 ]  - [  -0.0009243600000000,  0.0031475500000000, -0.0007601000000000 ]  - [  -0.0006361500000000, -0.0002902200000000,  0.0002934600000000 ]  - [   0.0001588400000000, -0.0001324100000000,  0.0003683400000000 ]  - [  -0.0002491200000000, -0.0000204200000000, -0.0001996800000000 ]  - [  -0.0000436300000000,  0.0003780000000000,  0.0003022500000000 ]  - [  -0.0015829800000000,  0.0002824800000000,  0.0012998300000000 ]  - [   0.0008165500000000, -0.0000359100000000, -0.0006179900000000 ]  - [   0.0002738500000000, -0.0026785700000000,  0.0024052400000000 ]  - [  -0.0001687300000000,  0.0016051800000000, -0.0013414800000000 ]  - [  -0.1830683600000000,  0.0383489400000000, -0.1002553900000000 ]  - [   0.0089426900000000, -0.0009972700000000,  0.0022148000000000 ]  - [   0.0018068700000000, -0.0023608500000000,  0.0003527300000000 ]  - [   0.0008613500000000,  0.0013517900000000,  0.0009416600000000 ]  - [  -0.0005841800000000, -0.0001615000000000,  0.0001517200000000 ]  - [   0.0010436800000000, -0.0001615100000000,  0.0005261500000000 ]  - [  -0.0003043700000000, -0.0002031100000000, -0.0002122800000000 ]  - [   0.0004527000000000,  0.0003185200000000,  0.0004925700000000 ]  - [  -0.0016973900000000, -0.0002249600000000, -0.0019732200000000 ]  - [   0.0026859600000000,  0.0001936000000000,  0.0025078800000000 ]  - [  -0.0002414700000000, -0.0004891200000000,  0.0005070500000000 ]  - [  -0.0003362700000000, -0.0004388300000000, -0.0005209100000000 ]  - [   0.0059211400000000, -0.0015293000000000, -0.0018118500000000 ]  - [  -0.0017807600000000,  0.0007731800000000, -0.0049449500000000 ]  - [  -0.0041390100000000,  0.0049723800000000,  0.0058749100000000 ]  - [   0.0014544000000000, -0.0012027800000000, -0.0005890000000000 ]  - [   0.0024167300000000, -0.0003029300000000, -0.0015546400000000 ]  - [  -0.0037082900000000,  0.0015993500000000,  0.0020414500000000 ]  - [  -0.0003040800000000,  0.0016880000000000, -0.0017941600000000 ]  - [   0.0006001900000000, -0.0007176900000000,  0.0004366800000000 ]  - [   0.0000584000000000,  0.0001920100000000,  0.0002870700000000 ]  - [  -0.0003488000000000,  0.0000421100000000,  0.0002567800000000 ]  - [   0.0001802800000000,  0.0003023300000000,  0.0000076100000000 ]  - [  -0.0003732100000000, -0.0000638200000000,  0.0003983500000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0012853000000000,  0.0010743500000000, -0.0074950900000000 ]  - [  -0.0002877600000000, -0.0016502800000000, -0.0074950900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032598100000000 ]  - [   0.0015730600000000,  0.0005759300000000, -0.0074950900000000 ]  - [  -0.0005518300000000, -0.0004520900000000,  0.0009440200000000 ]  - [   0.0006674300000000, -0.0002518600000000,  0.0009440200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011854800000000 ]  - [  -0.0001156000000000,  0.0007039400000000,  0.0009440200000000 ]  - [   0.0003963200000000,  0.0002202700000000,  0.0010709800000000 ]  - [  -0.0003889200000000,  0.0002330900000000,  0.0010709800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009116600000000 ]  - [  -0.0000074000000000, -0.0004533600000000,  0.0010709800000000 ]  - [  -0.0022969900000000, -0.0020101500000000,  0.0012767800000000 ]  - [   0.0028893400000000, -0.0009841800000000,  0.0012767800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013826200000000 ]  - [  -0.0005923500000000,  0.0029943300000000,  0.0012767800000000 ]  - [  -0.0000971800000000, -0.0000136000000000,  0.0010626300000000 ]  - [   0.0000603700000000, -0.0000773700000000,  0.0010626300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009438800000000 ]  - [   0.0000368200000000,  0.0000909600000000,  0.0010626300000000 ]  - [   0.0016251700000000,  0.0019046600000000,  0.0009954000000000 ]  - [  -0.0024620600000000,  0.0004551100000000,  0.0009954000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006837800000000 ]  - [   0.0008369000000000, -0.0023597600000000,  0.0009954000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3130655000000000 ]  - [   0.0002422600000000,  0.0017729000000000, -0.0095235000000000 ]  - [  -0.0016565100000000, -0.0006766400000000, -0.0095235000000000 ]  - [   0.0014142400000000, -0.0010962600000000, -0.0095235000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070153500000000 ]  - [  -0.0001898800000000, -0.0009095500000000,  0.0025516400000000 ]  - [   0.0008826300000000,  0.0002903300000000,  0.0025516400000000 ]  - [  -0.0006927500000000,  0.0006192100000000,  0.0025516400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0069803600000000 ]  - [   0.0007124800000000,  0.0010064500000000,  0.0025571600000000 ]  - [  -0.0012278500000000,  0.0001138000000000,  0.0025571600000000 ]  - [   0.0005153800000000, -0.0011202500000000,  0.0025571600000000 ]  - [  -0.0115155400000000,  0.0080347100000000,  0.0062657700000000 ]  - [   0.0127160300000000,  0.0059553900000000,  0.0062657700000000 ]  - [  -0.0012004900000000, -0.0139901000000000,  0.0062657700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013319600000000 ]  - [  -0.0000533100000000, -0.0001547300000000,  0.0035624600000000 ]  - [  -0.0001073500000000,  0.0001235300000000,  0.0035624600000000 ]  - [   0.0001606500000000,  0.0000312000000000,  0.0035624600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027735500000000 ]  - [   0.0080683400000000, -0.0169029700000000,  0.0062941600000000 ]  - [  -0.0186725700000000,  0.0014641000000000,  0.0062941600000000 ]  - [   0.0106042400000000,  0.0154388700000000,  0.0062941600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013182700000000 ]  - [  -0.0065117300000000,  0.0077404500000000, -0.0049410400000000 ]  - [   0.0038708400000000, -0.0029247600000000,  0.0049363000000000 ]  - [   0.0007817300000000, -0.0045811100000000,  0.0030296900000000 ]  - [   0.0004929900000000,  0.0002589900000000,  0.0015642200000000 ]  - [   0.0023221200000000, -0.0013757200000000, -0.0018828100000000 ]  - [  -0.0011569000000000,  0.0008887800000000, -0.0006412800000000 ]  - [  -0.0009232100000000,  0.0026108200000000, -0.0022755900000000 ]  - [  -0.0001757200000000, -0.0005224200000000,  0.0001873700000000 ]  - [  -0.0008100600000000,  0.0003469100000000, -0.0017925200000000 ]  - [  -0.0004450000000000,  0.0001911700000000, -0.0015051100000000 ]  - [  -0.0004439100000000,  0.0001408000000000, -0.0013354700000000 ]  - [  -0.0005150600000000,  0.0002123700000000, -0.0012486300000000 ]  - [   0.0005975000000000,  0.0048146300000000,  0.0049363000000000 ]  - [   0.0035765000000000,  0.0029675600000000,  0.0030296900000000 ]  - [  -0.0034475700000000, -0.0095095500000000, -0.0049410400000000 ]  - [  -0.0004707900000000,  0.0002974500000000,  0.0015642200000000 ]  - [  -0.0001912600000000, -0.0014462900000000, -0.0006412800000000 ]  - [  -0.0017994300000000, -0.0021049300000000, -0.0022755900000000 ]  - [   0.0000303500000000,  0.0026988700000000, -0.0018828100000000 ]  - [   0.0005402900000000,  0.0001090400000000,  0.0001873700000000 ]  - [   0.0000569400000000, -0.0004809600000000, -0.0015051100000000 ]  - [   0.0001000200000000, -0.0004548400000000, -0.0013354700000000 ]  - [   0.0001046000000000, -0.0008749900000000, -0.0017925200000000 ]  - [   0.0000736100000000, -0.0005522400000000, -0.0012486300000000 ]  - [  -0.0297366000000000,  0.0957516200000000,  0.0989407100000000 ]  - [  -0.0010111800000000,  0.0000406200000000,  0.0029691200000000 ]  - [  -0.0010722200000000,  0.0028446400000000,  0.0040242900000000 ]  - [   0.0011093000000000,  0.0021740000000000,  0.0023570400000000 ]  - [   0.0007091800000000, -0.0006081100000000, -0.0020389600000000 ]  - [   0.0005449400000000,  0.0000268400000000, -0.0012954700000000 ]  - [   0.0003097100000000, -0.0000266200000000, -0.0013629500000000 ]  - [   0.0006468100000000, -0.0002661700000000, -0.0012331000000000 ]  - [   0.0001670800000000,  0.0003996200000000, -0.0026920400000000 ]  - [   0.0011841400000000, -0.0005273900000000, -0.0015794700000000 ]  - [   0.0010174800000000, -0.0008046700000000, -0.0016220300000000 ]  - [  -0.0004683600000000,  0.0003004600000000, -0.0001699700000000 ]  - [  -0.0680550400000000, -0.0736284600000000,  0.0989407100000000 ]  - [  -0.0024373900000000, -0.0001263200000000,  0.0023570400000000 ]  - [   0.0004704100000000, -0.0008960200000000,  0.0029691200000000 ]  - [  -0.0019274200000000, -0.0023508900000000,  0.0040242900000000 ]  - [   0.0001720500000000,  0.0009182200000000, -0.0020389600000000 ]  - [  -0.0000929000000000,  0.0006932400000000, -0.0012331000000000 ]  - [  -0.0002957200000000,  0.0004585100000000, -0.0012954700000000 ]  - [  -0.0001318000000000,  0.0002815300000000, -0.0013629500000000 ]  - [  -0.0004296200000000, -0.0000551100000000, -0.0026920400000000 ]  - [  -0.0000260200000000, -0.0005558400000000, -0.0001699700000000 ]  - [  -0.0001353400000000,  0.0012891900000000, -0.0015794700000000 ]  - [   0.0001881200000000,  0.0012834900000000, -0.0016220300000000 ]  - [   0.0977916400000000, -0.0221231600000000,  0.0989407100000000 ]  - [   0.0029996400000000, -0.0004937500000000,  0.0040242900000000 ]  - [   0.0013280900000000, -0.0020476800000000,  0.0023570400000000 ]  - [   0.0005407700000000,  0.0008554000000000,  0.0029691200000000 ]  - [  -0.0008812300000000, -0.0003101100000000, -0.0020389600000000 ]  - [  -0.0001779100000000, -0.0002549100000000, -0.0013629500000000 ]  - [  -0.0005539100000000, -0.0004270700000000, -0.0012331000000000 ]  - [  -0.0002492200000000, -0.0004853600000000, -0.0012954700000000 ]  - [   0.0002625400000000, -0.0003445100000000, -0.0026920400000000 ]  - [  -0.0012056000000000, -0.0004788300000000, -0.0016220300000000 ]  - [   0.0004943800000000,  0.0002553800000000, -0.0001699700000000 ]  - [  -0.0010488000000000, -0.0007618000000000, -0.0015794700000000 ]  - [  -0.0043582300000000,  0.0016135600000000,  0.0030296900000000 ]  - [   0.0099592900000000,  0.0017690900000000, -0.0049410400000000 ]  - [  -0.0044683400000000, -0.0018898600000000,  0.0049363000000000 ]  - [  -0.0000222000000000, -0.0005564400000000,  0.0015642200000000 ]  - [   0.0027226400000000, -0.0005058900000000, -0.0022755900000000 ]  - [  -0.0023524700000000, -0.0013231600000000, -0.0018828100000000 ]  - [   0.0013481500000000,  0.0005575100000000, -0.0006412800000000 ]  - [  -0.0003645800000000,  0.0004133900000000,  0.0001873700000000 ]  - [   0.0003439000000000,  0.0003140400000000, -0.0013354700000000 ]  - [   0.0007054700000000,  0.0005280800000000, -0.0017925200000000 ]  - [   0.0003880500000000,  0.0002897900000000, -0.0015051100000000 ]  - [   0.0004414500000000,  0.0003398700000000, -0.0012486300000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0013199600000000, -0.0010583100000000,  0.0072016400000000 ]  - [   0.0002565500000000,  0.0016722700000000,  0.0072016400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029463600000000 ]  - [  -0.0015765100000000, -0.0006139600000000,  0.0072016400000000 ]  - [   0.0005489000000000,  0.0004483400000000, -0.0012762900000000 ]  - [  -0.0006627200000000,  0.0002511900000000, -0.0012762900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015212800000000 ]  - [   0.0001138200000000, -0.0006995300000000, -0.0012762900000000 ]  - [  -0.0004003500000000, -0.0002221700000000, -0.0014050600000000 ]  - [   0.0003925800000000, -0.0002356300000000, -0.0014050600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012435400000000 ]  - [   0.0000077700000000,  0.0004578000000000, -0.0014050600000000 ]  - [   0.0022883200000000,  0.0019903000000000, -0.0016338700000000 ]  - [  -0.0028678100000000,  0.0009865900000000, -0.0016338700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010516200000000 ]  - [   0.0005794900000000, -0.0029768900000000, -0.0016338700000000 ]  - [   0.0000954800000000,  0.0000126100000000, -0.0013949600000000 ]  - [  -0.0000586600000000,  0.0000763800000000, -0.0013949600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012795100000000 ]  - [  -0.0000368200000000, -0.0000889900000000, -0.0013949600000000 ]  - [  -0.0016357500000000, -0.0019181900000000, -0.0013317200000000 ]  - [   0.0024790700000000, -0.0004575100000000, -0.0013317200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010176900000000 ]  - [  -0.0008433200000000,  0.0023756900000000, -0.0013317200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3086144600000000 ]  - [  -0.0002554500000000, -0.0017877000000000,  0.0085195700000000 ]  - [   0.0016759200000000,  0.0006726200000000,  0.0085195700000000 ]  - [  -0.0014204700000000,  0.0011150800000000,  0.0085195700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0080299500000000 ]  - [   0.0001866000000000,  0.0009176200000000, -0.0036085900000000 ]  - [  -0.0008879800000000, -0.0002972100000000, -0.0036085900000000 ]  - [   0.0007013800000000, -0.0006204100000000, -0.0036085900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0080650800000000 ]  - [  -0.0007166000000000, -0.0010096600000000, -0.0036024000000000 ]  - [   0.0012326900000000, -0.0001157600000000, -0.0036024000000000 ]  - [  -0.0005160900000000,  0.0011254300000000, -0.0036024000000000 ]  - [   0.0115063500000000, -0.0079729600000000, -0.0074186700000000 ]  - [  -0.0126579700000000, -0.0059783100000000, -0.0074186700000000 ]  - [   0.0011516100000000,  0.0139512800000000, -0.0074186700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002737900000000 ]  - [   0.0000445800000000,  0.0001615100000000, -0.0046133500000000 ]  - [   0.0001175800000000, -0.0001193600000000, -0.0046133500000000 ]  - [  -0.0001621600000000, -0.0000421500000000, -0.0046133500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038233200000000 ]  - [  -0.0081291700000000,  0.0170224200000000, -0.0073908200000000 ]  - [   0.0188064400000000, -0.0014711500000000, -0.0073908200000000 ]  - [  -0.0106772700000000, -0.0155512800000000, -0.0073908200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002872600000000 ]  - [   0.0063737300000000, -0.0081269700000000,  0.0053359900000000 ]  - [  -0.0039581200000000,  0.0026083400000000, -0.0045009400000000 ]  - [  -0.0008591500000000,  0.0042723500000000, -0.0025807700000000 ]  - [  -0.0005723300000000, -0.0005859400000000, -0.0011160700000000 ]  - [  -0.0023582200000000,  0.0010194100000000,  0.0023512100000000 ]  - [   0.0010783500000000, -0.0012170800000000,  0.0011182200000000 ]  - [   0.0008578400000000, -0.0029524300000000,  0.0027704700000000 ]  - [   0.0001006500000000,  0.0001960800000000,  0.0002769300000000 ]  - [   0.0007381600000000, -0.0006743600000000,  0.0022570800000000 ]  - [   0.0003661700000000, -0.0005158000000000,  0.0019659600000000 ]  - [   0.0003665900000000, -0.0004617900000000,  0.0017936800000000 ]  - [   0.0004389600000000, -0.0005373300000000,  0.0017088000000000 ]  - [  -0.0002798300000000, -0.0047320100000000, -0.0045009400000000 ]  - [  -0.0032703800000000, -0.0028802200000000, -0.0025807700000000 ]  - [   0.0038513000000000,  0.0095833000000000,  0.0053359900000000 ]  - [   0.0007936100000000, -0.0002026800000000, -0.0011160700000000 ]  - [   0.0005148500000000,  0.0015424200000000,  0.0011182200000000 ]  - [   0.0021279600000000,  0.0022191300000000,  0.0027704700000000 ]  - [   0.0002962800000000, -0.0025519800000000,  0.0023512100000000 ]  - [  -0.0002201400000000, -0.0000108800000000,  0.0002769300000000 ]  - [   0.0002636100000000,  0.0005750100000000,  0.0019659600000000 ]  - [   0.0002166200000000,  0.0005483700000000,  0.0017936800000000 ]  - [   0.0002149300000000,  0.0009764400000000,  0.0022570800000000 ]  - [   0.0002458600000000,  0.0006488200000000,  0.0017088000000000 ]  - [   0.0286687300000000, -0.0920659500000000, -0.0971770300000000 ]  - [   0.0010852200000000,  0.0002910300000000, -0.0025159200000000 ]  - [   0.0011478200000000, -0.0025249300000000, -0.0035766200000000 ]  - [  -0.0010514400000000, -0.0018718300000000, -0.0019089600000000 ]  - [  -0.0006309000000000,  0.0009270300000000,  0.0024946500000000 ]  - [  -0.0004701100000000,  0.0002940700000000,  0.0017589400000000 ]  - [  -0.0002356800000000,  0.0003559400000000,  0.0018257800000000 ]  - [  -0.0005708700000000,  0.0005925900000000,  0.0016968400000000 ]  - [  -0.0000878800000000, -0.0000835500000000,  0.0031675400000000 ]  - [  -0.0011083600000000,  0.0008519600000000,  0.0020379000000000 ]  - [  -0.0009422700000000,  0.0011317300000000,  0.0020816900000000 ]  - [   0.0005493100000000,  0.0000228200000000,  0.0006247900000000 ]  - [   0.0653970900000000,  0.0708608200000000, -0.0971770300000000 ]  - [   0.0021467800000000,  0.0000253400000000, -0.0019089600000000 ]  - [  -0.0007946500000000,  0.0007943200000000, -0.0025159200000000 ]  - [   0.0016127400000000,  0.0022565100000000, -0.0035766200000000 ]  - [  -0.0004873800000000, -0.0010099000000000,  0.0024946500000000 ]  - [  -0.0002277600000000, -0.0007906900000000,  0.0016968400000000 ]  - [  -0.0000196100000000, -0.0005541600000000,  0.0017589400000000 ]  - [  -0.0001904200000000, -0.0003820800000000,  0.0018257800000000 ]  - [   0.0001163000000000, -0.0000343300000000,  0.0031675400000000 ]  - [  -0.0002944200000000,  0.0004643100000000,  0.0006247900000000 ]  - [  -0.0001836400000000, -0.0013858500000000,  0.0020379000000000 ]  - [  -0.0005089700000000, -0.0013818900000000,  0.0020816900000000 ]  - [  -0.0940658200000000,  0.0212051300000000, -0.0971770300000000 ]  - [  -0.0027605600000000,  0.0002684200000000, -0.0035766200000000 ]  - [  -0.0010953300000000,  0.0018465000000000, -0.0019089600000000 ]  - [  -0.0002905700000000, -0.0010853400000000, -0.0025159200000000 ]  - [   0.0011182800000000,  0.0000828600000000,  0.0024946500000000 ]  - [   0.0004261000000000,  0.0000261400000000,  0.0018257800000000 ]  - [   0.0007986400000000,  0.0001980900000000,  0.0016968400000000 ]  - [   0.0004897300000000,  0.0002600900000000,  0.0017589400000000 ]  - [  -0.0000284200000000,  0.0001178800000000,  0.0031675400000000 ]  - [   0.0014512400000000,  0.0002501700000000,  0.0020816900000000 ]  - [  -0.0002548900000000, -0.0004871300000000,  0.0006247900000000 ]  - [   0.0012920000000000,  0.0005338900000000,  0.0020379000000000 ]  - [   0.0041295400000000, -0.0013921200000000, -0.0025807700000000 ]  - [  -0.0102250300000000, -0.0014563200000000,  0.0053359900000000 ]  - [   0.0042379500000000,  0.0021236700000000, -0.0045009400000000 ]  - [  -0.0002212700000000,  0.0007886200000000, -0.0011160700000000 ]  - [  -0.0029858000000000,  0.0007333000000000,  0.0027704700000000 ]  - [   0.0020619400000000,  0.0015325800000000,  0.0023512100000000 ]  - [  -0.0015932000000000, -0.0003253300000000,  0.0011182200000000 ]  - [   0.0001194900000000, -0.0001852100000000,  0.0002769300000000 ]  - [  -0.0005832200000000, -0.0000865800000000,  0.0017936800000000 ]  - [  -0.0009530900000000, -0.0003020800000000,  0.0022570800000000 ]  - [  -0.0006297800000000, -0.0000592100000000,  0.0019659600000000 ]  - [  -0.0006848200000000, -0.0001114900000000,  0.0017088000000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0031703300000000,  0.0005943000000000, -0.0004211900000000 ]  - [  -0.0013160800000000,  0.0007577700000000,  0.0004170100000000 ]  - [  -0.0010957900000000,  0.0011722600000000,  0.0012946500000000 ]  - [   0.0004643800000000, -0.0010073800000000,  0.0005878000000000 ]  - [   0.0001318100000000, -0.0000114800000000, -0.0002747500000000 ]  - [  -0.0001236200000000,  0.0000928800000000, -0.0003672500000000 ]  - [  -0.0000651900000000,  0.0000514300000000, -0.0003676700000000 ]  - [   0.0000537500000000, -0.0001221100000000, -0.0002935600000000 ]  - [   0.0006943700000000, -0.0002107900000000, -0.0003129800000000 ]  - [  -0.0003478800000000,  0.0001207900000000, -0.0002729500000000 ]  - [  -0.0002512300000000,  0.0001581500000000, -0.0005467800000000 ]  - [   0.0000665200000000, -0.0003396500000000, -0.0001381300000000 ]  - [   0.0009815000000000, -0.0000920800000000, -0.0003149000000000 ]  - [  -0.0010867300000000,  0.0009577200000000, -0.0006634500000000 ]  - [  -0.0000825800000000,  0.0002340800000000,  0.0002066300000000 ]  - [  -0.0000306900000000, -0.0007274600000000, -0.0005274400000000 ]  - [   0.0001010000000000, -0.0000095400000000, -0.0003197000000000 ]  - [  -0.0001020200000000, -0.0000008500000000, -0.0003273000000000 ]  - [  -0.0000378400000000,  0.0000483300000000, -0.0003377000000000 ]  - [   0.0000385600000000, -0.0000567300000000, -0.0003107700000000 ]  - [   0.0041667300000000,  0.0000369100000000,  0.0006367900000000 ]  - [  -0.0007170000000000,  0.0002283700000000,  0.0001305900000000 ]  - [  -0.0013946400000000,  0.0014322500000000, -0.0013846800000000 ]  - [   0.0004169900000000, -0.0007791600000000, -0.0002749900000000 ]  - [   0.0012062300000000,  0.0002911300000000, -0.0069693700000000 ]  - [  -0.0060204600000000, -0.0009513500000000,  0.0033949700000000 ]  - [  -0.0002333200000000,  0.0017212900000000,  0.0003117700000000 ]  - [   0.0004086600000000, -0.0001777000000000,  0.0000166400000000 ]  - [   0.0001712900000000, -0.0001019600000000, -0.0012980600000000 ]  - [  -0.0002254400000000,  0.0002365600000000, -0.0009280900000000 ]  - [  -0.0002891700000000,  0.0000180500000000, -0.0009278500000000 ]  - [   0.0003061900000000, -0.0001444100000000, -0.0010002600000000 ]  - [  -0.0015554200000000, -0.0014898100000000,  0.0018250400000000 ]  - [  -0.0023244500000000,  0.0001424100000000, -0.0016422100000000 ]  - [   0.0011275500000000,  0.0017171100000000, -0.0014243500000000 ]  - [   0.0002057900000000, -0.0002988100000000, -0.0006580100000000 ]  - [   0.0020063400000000, -0.0000101900000000, -0.0006470400000000 ]  - [  -0.0019793200000000, -0.0017403400000000, -0.0016756500000000 ]  - [  -0.0001062900000000,  0.0017307300000000, -0.0015038400000000 ]  - [   0.0000277300000000, -0.0005690100000000, -0.0000094800000000 ]  - [   0.0004257000000000, -0.0002137100000000, -0.0011944900000000 ]  - [  -0.0004659400000000,  0.0003511900000000, -0.0010301700000000 ]  - [  -0.0001068200000000,  0.0004231100000000, -0.0007962900000000 ]  - [   0.0000657000000000, -0.0003034300000000, -0.0011318700000000 ]  - [   0.0462347800000000, -0.0421293000000000,  0.0286375000000000 ]  - [  -0.0038367200000000, -0.0003143200000000,  0.0005369300000000 ]  - [  -0.0004753900000000,  0.0039265000000000,  0.0005983200000000 ]  - [  -0.0015503600000000, -0.0021753200000000, -0.0015974400000000 ]  - [  -0.0571582900000000,  0.0467003200000000, -0.0307582800000000 ]  - [   0.0012590500000000, -0.0003966700000000,  0.0002550500000000 ]  - [   0.0004850300000000, -0.0025498000000000,  0.0008017400000000 ]  - [  -0.0003219600000000,  0.0012743800000000, -0.0002997200000000 ]  - [  -0.0003460400000000, -0.0000132700000000,  0.0003564500000000 ]  - [   0.0005766900000000, -0.0001302500000000,  0.0007957300000000 ]  - [   0.0001855900000000, -0.0006998000000000,  0.0006930500000000 ]  - [  -0.0000946100000000,  0.0000799600000000,  0.0001067700000000 ]  - [  -0.0003455800000000, -0.0000406000000000,  0.0002789700000000 ]  - [   0.0005733400000000, -0.0004334500000000,  0.0007975500000000 ]  - [   0.0001864300000000, -0.0004931600000000,  0.0006374300000000 ]  - [  -0.0000952000000000, -0.0000416800000000,  0.0003285700000000 ]  - [  -0.0068788900000000,  0.0056024200000000, -0.0066904500000000 ]  - [   0.0020958200000000,  0.0003236600000000,  0.0004730500000000 ]  - [   0.0003022300000000, -0.0028000800000000, -0.0016459700000000 ]  - [   0.0042043300000000,  0.0051191500000000,  0.0015314200000000 ]  - [  -0.0001066700000000,  0.0001439500000000,  0.0003057400000000 ]  - [   0.0006230300000000,  0.0004994100000000,  0.0007747700000000 ]  - [   0.0000529300000000, -0.0002656600000000,  0.0006825800000000 ]  - [   0.0001275600000000,  0.0001937900000000,  0.0000398000000000 ]  - [  -0.0000023400000000,  0.0002118400000000,  0.0004389900000000 ]  - [   0.0002979000000000,  0.0000485400000000,  0.0004574700000000 ]  - [   0.0002561600000000, -0.0001255900000000,  0.0001467200000000 ]  - [   0.0001611600000000,  0.0003882600000000,  0.0006722100000000 ]  - [  -0.0015005200000000,  0.0025161200000000,  0.0022985800000000 ]  - [   0.0008575300000000, -0.0004616500000000, -0.0009004700000000 ]  - [   0.0004608300000000, -0.0005213600000000, -0.0000920100000000 ]  - [  -0.0003379100000000,  0.0003095000000000,  0.0000645400000000 ]  - [  -0.0001020600000000,  0.0002933400000000,  0.0005152000000000 ]  - [   0.0000410100000000,  0.0001286800000000,  0.0004240000000000 ]  - [   0.0000765200000000,  0.0001430000000000,  0.0004002500000000 ]  - [  -0.0001246800000000,  0.0002839800000000,  0.0004649700000000 ]  - [  -0.0014854700000000,  0.0023480000000000, -0.0002380900000000 ]  - [   0.0008580800000000, -0.0001126000000000,  0.0003452100000000 ]  - [   0.0004590900000000, -0.0006639600000000, -0.0002549200000000 ]  - [  -0.0003369200000000,  0.0005291700000000,  0.0005785700000000 ]  - [  -0.0015139100000000, -0.0017599000000000,  0.0028360800000000 ]  - [   0.0014298000000000,  0.0006979000000000, -0.0011077500000000 ]  - [  -0.0004391400000000, -0.0006510500000000, -0.0003879700000000 ]  - [  -0.0000208000000000,  0.0004591900000000, -0.0000461800000000 ]  - [  -0.0002154100000000, -0.0001301800000000,  0.0004757000000000 ]  - [  -0.0001379700000000, -0.0001807200000000,  0.0004592000000000 ]  - [  -0.0001197200000000, -0.0001267100000000,  0.0004272300000000 ]  - [  -0.0001979000000000, -0.0001001700000000,  0.0004619800000000 ]  - [   0.0006200600000000, -0.0009727500000000, -0.0036284500000000 ]  - [   0.0004674500000000,  0.0003772000000000,  0.0000561100000000 ]  - [  -0.0003075100000000, -0.0024425100000000,  0.0021754500000000 ]  - [  -0.0001058000000000,  0.0002529400000000,  0.0000933500000000 ]  - [   0.0058134000000000, -0.0010973100000000,  0.0071745700000000 ]  - [   0.0017579100000000,  0.0003210900000000, -0.0034980100000000 ]  - [   0.0000624100000000, -0.0001449800000000, -0.0001999900000000 ]  - [   0.0000861800000000, -0.0003613100000000, -0.0000744500000000 ]  - [   0.0002202600000000, -0.0000690200000000,  0.0004905400000000 ]  - [   0.0002060800000000, -0.0001122400000000,  0.0004698600000000 ]  - [   0.0002733300000000, -0.0000563900000000,  0.0004623900000000 ]  - [   0.0001183400000000, -0.0000807000000000,  0.0004160400000000 ]  - [   0.0007155900000000, -0.0000180300000000,  0.0000174500000000 ]  - [   0.0026381200000000, -0.0006411100000000,  0.0038801300000000 ]  - [  -0.0000277700000000,  0.0001380400000000,  0.0003023600000000 ]  - [   0.0000815600000000, -0.0005156600000000,  0.0000531800000000 ]  - [   0.0052495800000000, -0.0124510900000000,  0.0058965700000000 ]  - [   0.0021266600000000,  0.0017407600000000, -0.0018825900000000 ]  - [  -0.0000921100000000, -0.0026644400000000,  0.0000187500000000 ]  - [   0.0012521300000000,  0.0001602100000000, -0.0002590400000000 ]  - [  -0.0005569300000000,  0.0001091600000000,  0.0004731300000000 ]  - [   0.0000694900000000,  0.0002322400000000,  0.0005862500000000 ]  - [  -0.0003911300000000, -0.0000720000000000,  0.0005765200000000 ]  - [   0.0000679600000000,  0.0000829100000000,  0.0001344500000000 ]  - [  -0.0004367100000000,  0.0000480200000000,  0.0007802800000000 ]  - [   0.0001889100000000,  0.0001846100000000,  0.0000901600000000 ]  - [  -0.0001647100000000, -0.0000254300000000,  0.0001947400000000 ]  - [  -0.0002723700000000,  0.0000151300000000,  0.0005925000000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0031123000000000, -0.0006055500000000,  0.0001016000000000 ]  - [   0.0013065600000000, -0.0007497900000000, -0.0007396900000000 ]  - [   0.0010939300000000, -0.0011693000000000, -0.0016239000000000 ]  - [  -0.0004505200000000,  0.0010014000000000, -0.0009049900000000 ]  - [  -0.0001308500000000,  0.0000097700000000, -0.0000566300000000 ]  - [   0.0001234000000000, -0.0000935300000000,  0.0000346300000000 ]  - [   0.0000647200000000, -0.0000528700000000,  0.0000348600000000 ]  - [  -0.0000521900000000,  0.0001193500000000, -0.0000382400000000 ]  - [  -0.0006940600000000,  0.0002085400000000, -0.0000191600000000 ]  - [   0.0003488000000000, -0.0001196300000000, -0.0000586700000000 ]  - [   0.0002443900000000, -0.0001625400000000,  0.0002130000000000 ]  - [  -0.0000634900000000,  0.0003361600000000, -0.0001935900000000 ]  - [  -0.0009757600000000,  0.0000945200000000, -0.0000173900000000 ]  - [   0.0010797600000000, -0.0009447400000000,  0.0003282300000000 ]  - [   0.0000811700000000, -0.0002322000000000, -0.0005354800000000 ]  - [   0.0000316700000000,  0.0007243400000000,  0.0001954200000000 ]  - [  -0.0001011100000000,  0.0000114500000000, -0.0000117200000000 ]  - [   0.0001020000000000,  0.0000032200000000, -0.0000077800000000 ]  - [   0.0000372100000000, -0.0000466000000000,  0.0000048100000000 ]  - [  -0.0000375500000000,  0.0000581000000000, -0.0000206600000000 ]  - [  -0.0041422800000000, -0.0000760400000000, -0.0009830100000000 ]  - [   0.0007143800000000, -0.0002224100000000, -0.0004559700000000 ]  - [   0.0013826500000000, -0.0014246100000000,  0.0010581800000000 ]  - [  -0.0003997800000000,  0.0007740200000000, -0.0000589300000000 ]  - [  -0.0011025800000000, -0.0002972100000000,  0.0059182500000000 ]  - [   0.0060023800000000,  0.0009403800000000, -0.0044339900000000 ]  - [   0.0002187500000000, -0.0016980800000000, -0.0013291900000000 ]  - [  -0.0004091800000000,  0.0001747200000000, -0.0010487100000000 ]  - [  -0.0001716200000000,  0.0001019500000000,  0.0002504400000000 ]  - [   0.0002181600000000, -0.0002328700000000, -0.0001168500000000 ]  - [   0.0002844500000000, -0.0000174400000000, -0.0001165100000000 ]  - [  -0.0003073100000000,  0.0001436400000000, -0.0000453400000000 ]  - [   0.0015605300000000,  0.0014996000000000, -0.0028548100000000 ]  - [   0.0023149100000000, -0.0001442700000000,  0.0005934100000000 ]  - [  -0.0010937200000000, -0.0016765600000000,  0.0003561900000000 ]  - [  -0.0002094300000000,  0.0002962100000000, -0.0003822000000000 ]  - [  -0.0019922700000000,  0.0000059900000000, -0.0003916600000000 ]  - [   0.0019682300000000,  0.0017157000000000,  0.0006181200000000 ]  - [   0.0001078900000000, -0.0017151900000000,  0.0004568100000000 ]  - [  -0.0000235200000000,  0.0005689000000000, -0.0010270800000000 ]  - [  -0.0004224600000000,  0.0002096700000000,  0.0001458300000000 ]  - [   0.0004693100000000, -0.0003528200000000, -0.0000144900000000 ]  - [   0.0001078100000000, -0.0004198200000000, -0.0002499200000000 ]  - [  -0.0000574500000000,  0.0003015300000000,  0.0000856300000000 ]  - [  -0.0458113800000000,  0.0423135200000000, -0.0297536500000000 ]  - [   0.0038221700000000,  0.0003070200000000, -0.0015602900000000 ]  - [   0.0004848500000000, -0.0039023100000000, -0.0016215600000000 ]  - [   0.0015535100000000,  0.0021758000000000,  0.0005620300000000 ]  - [   0.0565272900000000, -0.0474059800000000,  0.0312518000000000 ]  - [  -0.0013322200000000,  0.0000707800000000,  0.0001947900000000 ]  - [  -0.0005591000000000,  0.0022128400000000, -0.0003472000000000 ]  - [   0.0002350600000000, -0.0016125900000000,  0.0007523100000000 ]  - [   0.0002668800000000, -0.0003111800000000,  0.0001009800000000 ]  - [  -0.0006481300000000, -0.0001945800000000, -0.0003318300000000 ]  - [  -0.0002612400000000,  0.0003695000000000, -0.0002329700000000 ]  - [   0.0000164600000000, -0.0004054700000000,  0.0003488800000000 ]  - [   0.0002672700000000, -0.0002851000000000,  0.0001785800000000 ]  - [  -0.0006514800000000,  0.0001066900000000, -0.0003405400000000 ]  - [  -0.0002603700000000,  0.0001623500000000, -0.0001744900000000 ]  - [   0.0000158800000000, -0.0002848100000000,  0.0001292200000000 ]  - [   0.0071748200000000, -0.0054546500000000,  0.0071858200000000 ]  - [  -0.0017716800000000, -0.0002293200000000, -0.0000179500000000 ]  - [   0.0000175900000000,  0.0028650900000000,  0.0020813600000000 ]  - [  -0.0039104300000000, -0.0050713100000000, -0.0010790100000000 ]  - [   0.0004217700000000, -0.0000491600000000,  0.0001509600000000 ]  - [  -0.0002998600000000, -0.0003995200000000, -0.0003107200000000 ]  - [   0.0002630800000000,  0.0003555200000000, -0.0002227400000000 ]  - [   0.0001885800000000, -0.0001009400000000,  0.0004161400000000 ]  - [   0.0003189600000000, -0.0001146500000000,  0.0000223800000000 ]  - [   0.0000213600000000,  0.0000461800000000,  0.0000005100000000 ]  - [   0.0000606500000000,  0.0002178000000000,  0.0003110500000000 ]  - [   0.0001562600000000, -0.0002949800000000, -0.0002153600000000 ]  - [   0.0015499600000000, -0.0021535300000000, -0.0018312900000000 ]  - [  -0.0007730100000000,  0.0007887200000000,  0.0013510000000000 ]  - [  -0.0003769800000000,  0.0008365400000000,  0.0005383400000000 ]  - [   0.0004141600000000,  0.0000179300000000,  0.0003894100000000 ]  - [   0.0001790700000000,  0.0000348500000000, -0.0000555300000000 ]  - [   0.0000380600000000,  0.0001960300000000,  0.0000340600000000 ]  - [   0.0000016200000000,  0.0001841900000000,  0.0000587500000000 ]  - [   0.0002021800000000,  0.0000427300000000, -0.0000060400000000 ]  - [   0.0015651700000000, -0.0020083600000000,  0.0006712200000000 ]  - [  -0.0007725300000000,  0.0004409900000000,  0.0001116900000000 ]  - [  -0.0003787400000000,  0.0009737200000000,  0.0007039900000000 ]  - [   0.0004151300000000, -0.0001991700000000, -0.0001198400000000 ]  - [   0.0011745300000000,  0.0016446600000000, -0.0023499000000000 ]  - [  -0.0017376900000000, -0.0007890500000000,  0.0015583600000000 ]  - [   0.0001238900000000,  0.0005545600000000,  0.0008387200000000 ]  - [  -0.0002959200000000, -0.0005479700000000,  0.0004978000000000 ]  - [  -0.0001012000000000,  0.0000356100000000, -0.0000166500000000 ]  - [  -0.0001787700000000,  0.0000855200000000, -0.0000008300000000 ]  - [  -0.0001969700000000,  0.0000322100000000,  0.0000309100000000 ]  - [  -0.0001198400000000,  0.0000064700000000, -0.0000035400000000 ]  - [  -0.0009618200000000,  0.0008739200000000,  0.0040796000000000 ]  - [  -0.0007831500000000, -0.0004728100000000,  0.0003991500000000 ]  - [  -0.0000104900000000,  0.0022918900000000, -0.0016789900000000 ]  - [  -0.0002128300000000, -0.0003432000000000,  0.0003597700000000 ]  - [  -0.0054685600000000,  0.0008528300000000, -0.0066032800000000 ]  - [  -0.0015097900000000, -0.0005526200000000,  0.0039745500000000 ]  - [   0.0001776700000000, -0.0000835500000000,  0.0006516800000000 ]  - [   0.0001557200000000,  0.0001327100000000,  0.0005293300000000 ]  - [   0.0000215000000000, -0.0001579900000000, -0.0000299300000000 ]  - [   0.0000388300000000, -0.0001156800000000, -0.0000084400000000 ]  - [  -0.0000309800000000, -0.0001706000000000, -0.0000016400000000 ]  - [   0.0001242200000000, -0.0001458200000000,  0.0000445200000000 ]  - [  -0.0004789900000000, -0.0002089300000000,  0.0004336000000000 ]  - [  -0.0024011800000000,  0.0004158200000000, -0.0034580900000000 ]  - [   0.0002609700000000, -0.0003704400000000,  0.0001563500000000 ]  - [   0.0001634800000000,  0.0002852700000000,  0.0004028400000000 ]  - [  -0.0055817900000000,  0.0129750500000000, -0.0055203100000000 ]  - [  -0.0023606400000000, -0.0014977700000000,  0.0023255200000000 ]  - [  -0.0001554300000000,  0.0028773500000000,  0.0004345200000000 ]  - [  -0.0014923300000000,  0.0000646600000000,  0.0007133300000000 ]  - [   0.0003124700000000,  0.0001193200000000, -0.0000129600000000 ]  - [  -0.0003126900000000, -0.0000034900000000, -0.0001240600000000 ]  - [   0.0001477400000000,  0.0002971000000000, -0.0001150000000000 ]  - [  -0.0003087100000000,  0.0001429900000000,  0.0003233800000000 ]  - [   0.0001954900000000,  0.0001810700000000, -0.0003181900000000 ]  - [  -0.0004316100000000,  0.0000428900000000,  0.0003693300000000 ]  - [  -0.0000755700000000,  0.0002530400000000,  0.0002639000000000 ]  - [   0.0000262000000000,  0.0002087500000000, -0.0001284200000000 ]- atom:   49  displacement:    [  -0.0050000000099564,  0.0086602540320960,  0.0000000000000000 ]  forces:  - [  -0.0018326200000000, -0.0010265500000000,  0.0013638600000000 ]  - [   0.0011138000000000, -0.0007639700000000, -0.0003990500000000 ]  - [   0.0020712000000000, -0.0021418700000000, -0.0024372400000000 ]  - [  -0.0025731100000000,  0.0003101600000000, -0.0022656300000000 ]  - [  -0.0001173600000000,  0.0000241800000000, -0.0000063800000000 ]  - [   0.0001219300000000, -0.0001012100000000,  0.0000456100000000 ]  - [   0.0000700300000000, -0.0000584700000000,  0.0000537400000000 ]  - [  -0.0000660400000000,  0.0001003000000000, -0.0000320900000000 ]  - [  -0.0007134200000000,  0.0001301200000000, -0.0006920600000000 ]  - [   0.0001986100000000, -0.0003577500000000, -0.0000238100000000 ]  - [   0.0008537700000000,  0.0000245800000000,  0.0004836500000000 ]  - [  -0.0003842900000000,  0.0002621700000000,  0.0000826600000000 ]  - [  -0.0008818200000000, -0.0000678000000000,  0.0006163400000000 ]  - [   0.0008759100000000, -0.0011181300000000,  0.0001654100000000 ]  - [   0.0003585000000000, -0.0001495200000000, -0.0006038900000000 ]  - [  -0.0001865700000000,  0.0006518000000000, -0.0000261500000000 ]  - [  -0.0000836600000000,  0.0000304500000000, -0.0000203100000000 ]  - [   0.0001007900000000, -0.0000792700000000,  0.0000034500000000 ]  - [   0.0001083700000000, -0.0000011700000000,  0.0000485500000000 ]  - [  -0.0001230500000000,  0.0000618800000000,  0.0000193100000000 ]  - [  -0.0022676900000000,  0.0013633500000000, -0.0018595800000000 ]  - [   0.0006071700000000, -0.0002133200000000, -0.0007315100000000 ]  - [   0.0025505600000000, -0.0023603500000000,  0.0017036300000000 ]  - [  -0.0029513800000000,  0.0002255100000000,  0.0013067300000000 ]  - [   0.0071962800000000,  0.0060966700000000,  0.0095342000000000 ]  - [   0.0008291000000000,  0.0051442000000000, -0.0048796900000000 ]  - [   0.0016281500000000, -0.0060374100000000, -0.0047765500000000 ]  - [  -0.0005317400000000, -0.0021276600000000, -0.0004184900000000 ]  - [  -0.0002121100000000,  0.0001382600000000,  0.0003069800000000 ]  - [   0.0002254800000000, -0.0002159900000000, -0.0000124200000000 ]  - [   0.0002924500000000, -0.0000377700000000, -0.0000585100000000 ]  - [  -0.0002710400000000,  0.0001336700000000,  0.0000413500000000 ]  - [   0.0023447800000000,  0.0054841300000000, -0.0027446100000000 ]  - [   0.0012702000000000,  0.0009515700000000,  0.0009528600000000 ]  - [  -0.0033390800000000, -0.0048691700000000,  0.0023320400000000 ]  - [  -0.0000441300000000, -0.0008547900000000, -0.0007612400000000 ]  - [  -0.0013878600000000,  0.0012999600000000, -0.0006623900000000 ]  - [   0.0015941400000000,  0.0014452300000000,  0.0006471300000000 ]  - [   0.0011325100000000, -0.0022974700000000,  0.0008022900000000 ]  - [  -0.0008581900000000, -0.0000811000000000, -0.0008955900000000 ]  - [  -0.0002563800000000,  0.0006682100000000,  0.0004774400000000 ]  - [   0.0003549500000000, -0.0001772400000000, -0.0001523900000000 ]  - [   0.0004933100000000, -0.0007799000000000, -0.0002197700000000 ]  - [  -0.0005140200000000,  0.0001954100000000,  0.0001552500000000 ]  - [  -0.0663879500000000,  0.1840386200000000, -0.0995678200000000 ]  - [   0.0032403500000000,  0.0010138700000000, -0.0009283100000000 ]  - [   0.0064134900000000, -0.0064448100000000, -0.0033987900000000 ]  - [  -0.0022860800000000, -0.0032875100000000, -0.0017338400000000 ]  - [   0.0706005200000000, -0.2174452900000000,  0.1005270500000000 ]  - [  -0.0008872600000000, -0.0005478400000000,  0.0004976200000000 ]  - [  -0.0023618300000000,  0.0042848100000000, -0.0012374000000000 ]  - [   0.0013547400000000,  0.0021545600000000,  0.0001358300000000 ]  - [   0.0002202900000000, -0.0005881800000000,  0.0000974800000000 ]  - [  -0.0005773000000000, -0.0001642400000000, -0.0003426500000000 ]  - [  -0.0004332300000000,  0.0005912700000000, -0.0003679200000000 ]  - [   0.0000948800000000, -0.0002984300000000,  0.0003033000000000 ]  - [   0.0002438500000000, -0.0005763300000000,  0.0003312500000000 ]  - [  -0.0003139000000000, -0.0000150900000000, -0.0000549300000000 ]  - [  -0.0006139800000000,  0.0004900900000000, -0.0006068000000000 ]  - [   0.0001994600000000, -0.0002377100000000,  0.0001163900000000 ]  - [   0.0065630700000000,  0.0100539200000000,  0.0031071400000000 ]  - [  -0.0024836800000000,  0.0001109700000000,  0.0000170600000000 ]  - [  -0.0007994700000000,  0.0020857200000000,  0.0013149900000000 ]  - [   0.0048943200000000,  0.0028314900000000,  0.0017654300000000 ]  - [   0.0002708700000000, -0.0002531600000000,  0.0000958600000000 ]  - [  -0.0002224200000000, -0.0003447300000000, -0.0003193300000000 ]  - [   0.0000605800000000,  0.0003490800000000, -0.0002209600000000 ]  - [   0.0003939700000000,  0.0001328700000000,  0.0003334800000000 ]  - [   0.0002580300000000, -0.0003983200000000, -0.0004120300000000 ]  - [  -0.0000719900000000,  0.0001306800000000,  0.0000692400000000 ]  - [   0.0000153500000000,  0.0001869800000000,  0.0002772100000000 ]  - [   0.0003405700000000, -0.0001576000000000, -0.0000201300000000 ]  - [   0.0026663000000000, -0.0038492900000000, -0.0010833000000000 ]  - [  -0.0006083800000000, -0.0004928200000000,  0.0012532800000000 ]  - [  -0.0008804100000000,  0.0024108700000000,  0.0020383900000000 ]  - [   0.0005406300000000,  0.0012818500000000, -0.0000968300000000 ]  - [   0.0002205000000000, -0.0000004400000000, -0.0001002000000000 ]  - [   0.0000087700000000,  0.0001921900000000,  0.0000310900000000 ]  - [   0.0000018700000000,  0.0001974600000000,  0.0000171800000000 ]  - [   0.0002245700000000,  0.0000351700000000, -0.0000437800000000 ]  - [   0.0028122000000000, -0.0037892400000000, -0.0017204600000000 ]  - [  -0.0009094500000000, -0.0006718400000000, -0.0007563700000000 ]  - [  -0.0007593400000000,  0.0024787800000000,  0.0014332700000000 ]  - [   0.0003533800000000,  0.0011766700000000,  0.0010461100000000 ]  - [  -0.0023578700000000,  0.0015715300000000, -0.0044588700000000 ]  - [  -0.0011624900000000, -0.0007957800000000,  0.0016506700000000 ]  - [  -0.0000861300000000,  0.0006830200000000,  0.0016955000000000 ]  - [   0.0002423600000000,  0.0001362700000000,  0.0000914500000000 ]  - [  -0.0001100100000000,  0.0000770900000000, -0.0000684500000000 ]  - [  -0.0001755100000000,  0.0001182200000000, -0.0000234200000000 ]  - [  -0.0002054600000000,  0.0000392200000000, -0.0000314700000000 ]  - [  -0.0001032500000000, -0.0000195200000000,  0.0000082700000000 ]  - [  -0.0038476400000000, -0.0002734900000000,  0.0075105200000000 ]  - [  -0.0005856700000000, -0.0003587900000000,  0.0004635800000000 ]  - [  -0.0001053500000000,  0.0065125800000000, -0.0052829600000000 ]  - [   0.0001981800000000,  0.0001189900000000,  0.0001075000000000 ]  - [  -0.0055573500000000,  0.0007184400000000, -0.0061928500000000 ]  - [   0.0021846400000000, -0.0017586100000000,  0.0005952800000000 ]  - [   0.0006117700000000,  0.0003924800000000,  0.0013835500000000 ]  - [  -0.0002019600000000,  0.0004014300000000,  0.0003227400000000 ]  - [   0.0000694700000000, -0.0001400000000000, -0.0000040800000000 ]  - [  -0.0000096300000000, -0.0001533600000000, -0.0000626600000000 ]  - [  -0.0000130300000000, -0.0001566100000000, -0.0000482600000000 ]  - [   0.0000689000000000, -0.0001587800000000, -0.0000023200000000 ]  - [  -0.0005531900000000, -0.0004924400000000,  0.0003955200000000 ]  - [  -0.0001517500000000, -0.0024173900000000, -0.0007408800000000 ]  - [   0.0012728200000000,  0.0008822900000000, -0.0001069300000000 ]  - [  -0.0002393500000000,  0.0006773200000000,  0.0004330100000000 ]  - [  -0.0120116100000000,  0.0085061800000000,  0.0001461800000000 ]  - [  -0.0014066700000000, -0.0018931300000000,  0.0021265900000000 ]  - [  -0.0048743800000000,  0.0102449200000000,  0.0017527100000000 ]  - [   0.0011419300000000,  0.0007799600000000,  0.0000174800000000 ]  - [   0.0002135100000000, -0.0000103200000000,  0.0000286700000000 ]  - [  -0.0001705000000000,  0.0000258000000000, -0.0000810500000000 ]  - [  -0.0000339100000000,  0.0004039700000000, -0.0001598600000000 ]  - [  -0.0000783200000000,  0.0001697200000000,  0.0002857400000000 ]  - [   0.0000812300000000, -0.0000610500000000, -0.0004224700000000 ]  - [  -0.0003343300000000, -0.0001364400000000,  0.0003465300000000 ]  - [  -0.0003118800000000,  0.0003539600000000,  0.0005360300000000 ]  - [   0.0004101000000000,  0.0005233200000000, -0.0004708700000000 ]- atom:   49  displacement:    [   0.0050000000099564, -0.0086602540320960,  0.0000000000000000 ]  forces:  - [   0.0017854300000000,  0.0009141100000000, -0.0015643700000000 ]  - [  -0.0011175500000000,  0.0007633000000000,  0.0000731600000000 ]  - [  -0.0020582000000000,  0.0021274600000000,  0.0020853300000000 ]  - [   0.0025643300000000, -0.0003049800000000,  0.0019279400000000 ]  - [   0.0001182300000000, -0.0000265900000000, -0.0003245700000000 ]  - [  -0.0001223800000000,  0.0000992700000000, -0.0003779100000000 ]  - [  -0.0000696600000000,  0.0000581900000000, -0.0003854000000000 ]  - [   0.0000666100000000, -0.0001018400000000, -0.0002996700000000 ]  - [   0.0007140700000000, -0.0001369600000000,  0.0003562100000000 ]  - [  -0.0001992700000000,  0.0003540100000000, -0.0003070000000000 ]  - [  -0.0008530200000000, -0.0000255000000000, -0.0008142000000000 ]  - [   0.0003838500000000, -0.0002583600000000, -0.0004137500000000 ]  - [   0.0008871300000000,  0.0000672600000000, -0.0009484100000000 ]  - [  -0.0008795500000000,  0.0011205200000000, -0.0004983400000000 ]  - [  -0.0003570500000000,  0.0001534300000000,  0.0002730500000000 ]  - [   0.0001855300000000, -0.0006465500000000, -0.0003045100000000 ]  - [   0.0000840200000000, -0.0000290800000000, -0.0003112100000000 ]  - [  -0.0001009300000000,  0.0000803100000000, -0.0003365000000000 ]  - [  -0.0001083900000000,  0.0000037700000000, -0.0003806400000000 ]  - [   0.0001227700000000, -0.0000593400000000, -0.0003517400000000 ]  - [   0.0021751700000000, -0.0016179600000000,  0.0013623200000000 ]  - [  -0.0006088600000000,  0.0002142600000000,  0.0004056200000000 ]  - [  -0.0025441200000000,  0.0023514500000000, -0.0020130300000000 ]  - [   0.0029432600000000, -0.0002162800000000, -0.0016242800000000 ]  - [  -0.0072169500000000, -0.0061753300000000, -0.0106504400000000 ]  - [  -0.0008806000000000, -0.0051037000000000,  0.0038270300000000 ]  - [  -0.0016230800000000,  0.0060095600000000,  0.0037108300000000 ]  - [   0.0005322500000000,  0.0021263200000000, -0.0006165800000000 ]  - [   0.0002093300000000, -0.0001400600000000, -0.0013513300000000 ]  - [  -0.0002306500000000,  0.0002178000000000, -0.0010300700000000 ]  - [  -0.0002977100000000,  0.0000392900000000, -0.0009852000000000 ]  - [   0.0002698800000000, -0.0001314900000000, -0.0010856700000000 ]  - [  -0.0023146200000000, -0.0054981000000000,  0.0016701200000000 ]  - [  -0.0013071900000000, -0.0009286600000000, -0.0019879500000000 ]  - [   0.0033450300000000,  0.0048705100000000, -0.0033761200000000 ]  - [   0.0000412600000000,  0.0008510000000000, -0.0002770200000000 ]  - [   0.0013942600000000, -0.0012908700000000, -0.0003717600000000 ]  - [  -0.0015919900000000, -0.0014537100000000, -0.0016940800000000 ]  - [  -0.0011285600000000,  0.0023088400000000, -0.0018546500000000 ]  - [   0.0008573300000000,  0.0000737500000000, -0.0001466100000000 ]  - [   0.0002595500000000, -0.0006638100000000, -0.0015217800000000 ]  - [  -0.0003505400000000,  0.0001819600000000, -0.0008925200000000 ]  - [  -0.0004903800000000,  0.0007754300000000, -0.0008239900000000 ]  - [   0.0005155300000000, -0.0002008600000000, -0.0011976900000000 ]  - [   0.0636875400000000, -0.1748815600000000,  0.0923693500000000 ]  - [  -0.0032266200000000, -0.0010007400000000, -0.0000953700000000 ]  - [  -0.0063882900000000,  0.0064417800000000,  0.0023619200000000 ]  - [   0.0022674800000000,  0.0032547600000000,  0.0006920500000000 ]  - [  -0.0677726900000000,  0.2079760600000000, -0.0937855600000000 ]  - [   0.0008125900000000,  0.0002171200000000, -0.0000425600000000 ]  - [   0.0022832600000000, -0.0046036300000000,  0.0016855900000000 ]  - [  -0.0014250600000000, -0.0024599500000000,  0.0003130000000000 ]  - [  -0.0002986800000000,  0.0002620900000000,  0.0003595000000000 ]  - [   0.0005021500000000, -0.0001606100000000,  0.0008019200000000 ]  - [   0.0003568400000000, -0.0009209400000000,  0.0008303700000000 ]  - [  -0.0001719700000000, -0.0000269400000000,  0.0001536300000000 ]  - [  -0.0003214000000000,  0.0002470600000000,  0.0001303800000000 ]  - [   0.0002417300000000, -0.0003138100000000,  0.0005174400000000 ]  - [   0.0005345100000000, -0.0008148600000000,  0.0010615200000000 ]  - [  -0.0002775300000000, -0.0000871900000000,  0.0003389900000000 ]  - [  -0.0061322100000000, -0.0097819500000000, -0.0026460400000000 ]  - [   0.0027798900000000, -0.0000200900000000,  0.0004320000000000 ]  - [   0.0011173900000000, -0.0019900000000000, -0.0008557600000000 ]  - [  -0.0045456200000000, -0.0026923600000000, -0.0013070400000000 ]  - [   0.0000439500000000,  0.0003452600000000,  0.0003598300000000 ]  - [   0.0005407500000000,  0.0004399400000000,  0.0007786800000000 ]  - [   0.0002566500000000, -0.0002547900000000,  0.0006812700000000 ]  - [  -0.0000761700000000, -0.0000364100000000,  0.0001236000000000 ]  - [   0.0000590400000000,  0.0004896400000000,  0.0008681700000000 ]  - [   0.0003890200000000, -0.0000389100000000,  0.0003862300000000 ]  - [   0.0003014700000000, -0.0000901600000000,  0.0001823200000000 ]  - [  -0.0000203900000000,  0.0002554100000000,  0.0004808400000000 ]  - [  -0.0026311000000000,  0.0042022200000000,  0.0015471600000000 ]  - [   0.0006871300000000,  0.0008094900000000, -0.0007973700000000 ]  - [   0.0009573900000000, -0.0020759100000000, -0.0015753500000000 ]  - [  -0.0004653100000000, -0.0009581200000000,  0.0005548600000000 ]  - [  -0.0001430400000000,  0.0003276600000000,  0.0005591100000000 ]  - [   0.0000690800000000,  0.0001324500000000,  0.0004268900000000 ]  - [   0.0000759400000000,  0.0001297000000000,  0.0004414800000000 ]  - [  -0.0001468700000000,  0.0002907400000000,  0.0005018900000000 ]  - [  -0.0027558100000000,  0.0041057800000000,  0.0022121500000000 ]  - [   0.0009895200000000,  0.0009791900000000,  0.0011931900000000 ]  - [   0.0008365000000000, -0.0021478200000000, -0.0009763400000000 ]  - [  -0.0002743800000000, -0.0008449300000000, -0.0005885900000000 ]  - [   0.0020725400000000, -0.0016881800000000,  0.0049766200000000 ]  - [   0.0008488800000000,  0.0007001400000000, -0.0011914500000000 ]  - [  -0.0002293900000000, -0.0007781800000000, -0.0012312400000000 ]  - [  -0.0005597100000000, -0.0002310500000000,  0.0003641300000000 ]  - [  -0.0002059700000000, -0.0001699300000000,  0.0005262200000000 ]  - [  -0.0001409600000000, -0.0002119200000000,  0.0004811100000000 ]  - [  -0.0001110700000000, -0.0001343600000000,  0.0004894200000000 ]  - [  -0.0002138200000000, -0.0000753300000000,  0.0004503300000000 ]  - [   0.0035088900000000,  0.0002020400000000, -0.0070619500000000 ]  - [   0.0002758300000000,  0.0002728400000000, -0.0000150300000000 ]  - [  -0.0002311600000000, -0.0065842900000000,  0.0057113200000000 ]  - [  -0.0005155500000000, -0.0002114500000000,  0.0003447400000000 ]  - [   0.0058484100000000, -0.0009615700000000,  0.0066976800000000 ]  - [  -0.0019048300000000,  0.0015351800000000, -0.0001692700000000 ]  - [  -0.0003666300000000, -0.0006154700000000, -0.0009185200000000 ]  - [   0.0004410300000000, -0.0006284400000000,  0.0001340100000000 ]  - [   0.0001728300000000, -0.0000860500000000,  0.0004648000000000 ]  - [   0.0002529900000000, -0.0000739000000000,  0.0005230600000000 ]  - [   0.0002554200000000, -0.0000699400000000,  0.0005088100000000 ]  - [   0.0001725800000000, -0.0000681500000000,  0.0004620800000000 ]  - [   0.0007835900000000,  0.0002651500000000,  0.0000565000000000 ]  - [   0.0004556300000000,  0.0021873700000000,  0.0012602500000000 ]  - [  -0.0010281300000000, -0.0011060900000000,  0.0005622600000000 ]  - [   0.0004804800000000, -0.0009049400000000,  0.0000214200000000 ]  - [   0.0115167800000000, -0.0080225500000000,  0.0002139700000000 ]  - [   0.0011644600000000,  0.0021243400000000, -0.0016801000000000 ]  - [   0.0046293800000000, -0.0101166900000000, -0.0012800200000000 ]  - [  -0.0013762100000000, -0.0005507400000000,  0.0004346700000000 ]  - [  -0.0004566000000000,  0.0002366700000000,  0.0004307700000000 ]  - [  -0.0000737700000000,  0.0002015000000000,  0.0005396800000000 ]  - [  -0.0002109600000000, -0.0001785000000000,  0.0006229900000000 ]  - [  -0.0001618600000000,  0.0000571400000000,  0.0001734300000000 ]  - [  -0.0003234000000000,  0.0002859900000000,  0.0008820100000000 ]  - [   0.0000905700000000,  0.0003621300000000,  0.0001145800000000 ]  - [   0.0000702300000000, -0.0001246600000000, -0.0000761800000000 ]  - [  -0.0006507400000000, -0.0002945700000000,  0.0009289200000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000429800000000,  0.0013053000000000,  0.0019671000000000 ]  - [  -0.0007318900000000,  0.0007916200000000,  0.0007286900000000 ]  - [  -0.0007812100000000,  0.0007292500000000,  0.0008932600000000 ]  - [   0.0010571200000000, -0.0007364900000000,  0.0013674500000000 ]  - [   0.0000833100000000,  0.0000605600000000, -0.0006914200000000 ]  - [  -0.0000820700000000,  0.0000867400000000, -0.0006645700000000 ]  - [   0.0000043400000000, -0.0000153400000000, -0.0007281600000000 ]  - [  -0.0000217500000000, -0.0001082700000000, -0.0006679300000000 ]  - [  -0.0000571500000000, -0.0005942500000000, -0.0008473700000000 ]  - [   0.0000145400000000,  0.0000571700000000, -0.0005279900000000 ]  - [  -0.0007755400000000, -0.0000315400000000, -0.0007326400000000 ]  - [   0.0004237800000000,  0.0003422100000000, -0.0006055100000000 ]  - [   0.0005290200000000,  0.0006091100000000, -0.0012845000000000 ]  - [  -0.0007050500000000,  0.0010169200000000, -0.0008140900000000 ]  - [  -0.0001002800000000, -0.0001035000000000, -0.0000394600000000 ]  - [  -0.0000605700000000, -0.0009105000000000, -0.0005953800000000 ]  - [  -0.0000004800000000, -0.0000686000000000, -0.0006964800000000 ]  - [  -0.0000009900000000,  0.0000162700000000, -0.0006801900000000 ]  - [  -0.0000946300000000,  0.0000139700000000, -0.0006922000000000 ]  - [   0.0000809600000000,  0.0000345300000000, -0.0006799900000000 ]  - [   0.0017843400000000,  0.0020562800000000,  0.0071956900000000 ]  - [  -0.0002143300000000,  0.0000916200000000,  0.0009052400000000 ]  - [  -0.0012685700000000,  0.0006825200000000,  0.0003331800000000 ]  - [   0.0012599700000000,  0.0003333300000000,  0.0002740000000000 ]  - [  -0.0104804500000000, -0.0000676200000000, -0.0057071800000000 ]  - [   0.0062018400000000, -0.0029375800000000,  0.0042259100000000 ]  - [  -0.0008681300000000,  0.0018667600000000,  0.0023039400000000 ]  - [  -0.0000291700000000,  0.0009284400000000,  0.0008271100000000 ]  - [   0.0000152600000000, -0.0000157700000000, -0.0025481400000000 ]  - [  -0.0000792000000000,  0.0002187100000000, -0.0022570500000000 ]  - [  -0.0001437600000000, -0.0001432100000000, -0.0020856300000000 ]  - [   0.0001858600000000, -0.0000812600000000, -0.0020000600000000 ]  - [   0.0029120800000000, -0.0003977500000000, -0.0026427200000000 ]  - [  -0.0037425700000000,  0.0001935200000000, -0.0014086900000000 ]  - [   0.0043436300000000,  0.0045769100000000, -0.0030524200000000 ]  - [   0.0000202700000000, -0.0002326600000000, -0.0005661500000000 ]  - [   0.0011499300000000, -0.0018943200000000, -0.0034574200000000 ]  - [  -0.0014184800000000, -0.0016932300000000, -0.0023333900000000 ]  - [  -0.0006993100000000,  0.0022300300000000, -0.0023761600000000 ]  - [   0.0005785700000000,  0.0006513500000000, -0.0009138800000000 ]  - [   0.0000243400000000, -0.0000825800000000, -0.0027883400000000 ]  - [   0.0001772600000000,  0.0003975800000000, -0.0020502500000000 ]  - [  -0.0003595900000000,  0.0001297800000000, -0.0021160700000000 ]  - [   0.0003121700000000, -0.0003370800000000, -0.0019877500000000 ]  - [   0.0340501900000000, -0.0984009600000000,  0.0970970900000000 ]  - [  -0.0015289200000000, -0.0000498500000000,  0.0022224500000000 ]  - [  -0.0010158600000000,  0.0017168200000000,  0.0032812100000000 ]  - [   0.0007038100000000,  0.0005567700000000,  0.0016028400000000 ]  - [  -0.0305072400000000,  0.0929595800000000, -0.0973099600000000 ]  - [  -0.0000077800000000,  0.0001669000000000, -0.0009741300000000 ]  - [   0.0005389700000000, -0.0015287100000000, -0.0001976500000000 ]  - [  -0.0005700800000000, -0.0005691400000000, -0.0004456900000000 ]  - [   0.0000101800000000, -0.0000175000000000,  0.0011234200000000 ]  - [   0.0005321100000000, -0.0001648600000000,  0.0011237200000000 ]  - [   0.0003678400000000, -0.0008949800000000,  0.0011794000000000 ]  - [   0.0000601100000000, -0.0002337700000000,  0.0005667400000000 ]  - [   0.0000886500000000, -0.0002416400000000,  0.0011231700000000 ]  - [   0.0005232500000000, -0.0004983200000000,  0.0011215800000000 ]  - [   0.0004240800000000, -0.0005883000000000,  0.0011782000000000 ]  - [  -0.0001603700000000, -0.0001469400000000,  0.0005687000000000 ]  - [  -0.0054686400000000,  0.0033081100000000, -0.0132484100000000 ]  - [   0.0008602300000000, -0.0001139300000000, -0.0004119700000000 ]  - [   0.0003594200000000, -0.0022741500000000, -0.0022159400000000 ]  - [  -0.0011303200000000, -0.0009298400000000, -0.0020686400000000 ]  - [   0.0002612400000000,  0.0007420200000000,  0.0011629200000000 ]  - [   0.0005006700000000,  0.0006612800000000,  0.0011056000000000 ]  - [   0.0001822800000000, -0.0001025300000000,  0.0009869700000000 ]  - [  -0.0001136900000000, -0.0001513700000000,  0.0006806100000000 ]  - [   0.0001169800000000,  0.0003036300000000,  0.0011802400000000 ]  - [   0.0001977300000000, -0.0000396400000000,  0.0005666200000000 ]  - [   0.0001139800000000,  0.0004310000000000,  0.0010306100000000 ]  - [   0.0002051000000000,  0.0004725800000000,  0.0009240400000000 ]  - [   0.0005059400000000,  0.0027126500000000,  0.0019387500000000 ]  - [  -0.0000773200000000,  0.0012229100000000, -0.0004429500000000 ]  - [   0.0005220600000000, -0.0009574100000000, -0.0008136300000000 ]  - [  -0.0003110300000000, -0.0009845600000000,  0.0001272300000000 ]  - [  -0.0002462600000000,  0.0003797900000000,  0.0010648100000000 ]  - [  -0.0001558700000000,  0.0002788500000000,  0.0009645400000000 ]  - [  -0.0001316400000000,  0.0003102200000000,  0.0009389900000000 ]  - [  -0.0001963200000000,  0.0003423400000000,  0.0008976200000000 ]  - [  -0.0020314900000000,  0.0004997300000000,  0.0019299200000000 ]  - [   0.0011664200000000, -0.0003688500000000, -0.0004343500000000 ]  - [   0.0003556600000000, -0.0017418900000000, -0.0008054400000000 ]  - [   0.0002010800000000,  0.0006352000000000,  0.0001307100000000 ]  - [   0.0025218100000000, -0.0027720700000000,  0.0043902000000000 ]  - [  -0.0004221500000000, -0.0002836600000000, -0.0006667300000000 ]  - [  -0.0001978200000000,  0.0001721200000000, -0.0007369900000000 ]  - [  -0.0001269900000000,  0.0001753600000000, -0.0001509700000000 ]  - [  -0.0002123300000000, -0.0003540300000000,  0.0010372100000000 ]  - [  -0.0002053700000000, -0.0003423300000000,  0.0009340800000000 ]  - [  -0.0001326900000000, -0.0003323600000000,  0.0010011400000000 ]  - [  -0.0002056500000000, -0.0002879800000000,  0.0009116400000000 ]  - [  -0.0034956300000000,  0.0023121500000000,  0.0042695000000000 ]  - [   0.0005654300000000,  0.0008613200000000, -0.0006248800000000 ]  - [   0.0002746600000000, -0.0077375300000000,  0.0057573800000000 ]  - [  -0.0003668900000000,  0.0001829300000000, -0.0001193600000000 ]  - [   0.0056547400000000, -0.0010715700000000,  0.0058008500000000 ]  - [  -0.0072061200000000, -0.0003656900000000,  0.0043232400000000 ]  - [  -0.0001208800000000, -0.0001728800000000, -0.0006304900000000 ]  - [   0.0002401500000000, -0.0003375500000000, -0.0001211300000000 ]  - [   0.0003815100000000, -0.0000353500000000,  0.0010026400000000 ]  - [   0.0004192500000000, -0.0000017700000000,  0.0010383500000000 ]  - [   0.0003731900000000,  0.0000064100000000,  0.0009353800000000 ]  - [   0.0003417700000000,  0.0000275100000000,  0.0009124300000000 ]  - [  -0.0013449200000000,  0.0000243500000000, -0.0007296000000000 ]  - [   0.0048137300000000,  0.0001637300000000,  0.0043384500000000 ]  - [  -0.0012974500000000, -0.0008328200000000, -0.0006550600000000 ]  - [   0.0002583100000000, -0.0005080900000000, -0.0001465300000000 ]  - [   0.0027504200000000,  0.0063873700000000, -0.0132410800000000 ]  - [   0.0009652400000000,  0.0016456700000000, -0.0022153100000000 ]  - [   0.0014171600000000, -0.0022815700000000, -0.0020800600000000 ]  - [  -0.0003241400000000, -0.0000510400000000, -0.0004119000000000 ]  - [  -0.0007635500000000,  0.0002439800000000,  0.0011818100000000 ]  - [  -0.0000728000000000,  0.0001820300000000,  0.0010324200000000 ]  - [  -0.0003716200000000, -0.0002551200000000,  0.0009250700000000 ]  - [  -0.0002793400000000, -0.0000587400000000,  0.0005655200000000 ]  - [  -0.0002525200000000,  0.0001009800000000,  0.0011632600000000 ]  - [  -0.0005730100000000, -0.0001482200000000,  0.0009887200000000 ]  - [  -0.0000162200000000,  0.0002708200000000,  0.0006824400000000 ]  - [  -0.0006707700000000, -0.0001964500000000,  0.0011059600000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0000922500000000, -0.0015260600000000, -0.0021891400000000 ]  - [   0.0007252200000000, -0.0007852200000000, -0.0010505000000000 ]  - [   0.0007709600000000, -0.0007234600000000, -0.0012064500000000 ]  - [  -0.0010460300000000,  0.0007277900000000, -0.0016809700000000 ]  - [  -0.0000826400000000, -0.0000617900000000,  0.0003608800000000 ]  - [   0.0000815100000000, -0.0000876300000000,  0.0003327500000000 ]  - [  -0.0000043900000000,  0.0000136600000000,  0.0003956000000000 ]  - [   0.0000221900000000,  0.0001053800000000,  0.0003362100000000 ]  - [   0.0000576300000000,  0.0005935900000000,  0.0005160500000000 ]  - [  -0.0000138400000000, -0.0000582000000000,  0.0001966300000000 ]  - [   0.0007739100000000,  0.0000285200000000,  0.0003988500000000 ]  - [  -0.0004235800000000, -0.0003449700000000,  0.0002738100000000 ]  - [  -0.0005247500000000, -0.0006041300000000,  0.0009509000000000 ]  - [   0.0006992000000000, -0.0010061400000000,  0.0004812800000000 ]  - [   0.0000988100000000,  0.0001049500000000, -0.0002853700000000 ]  - [   0.0000608200000000,  0.0009033200000000,  0.0002637000000000 ]  - [   0.0000004900000000,  0.0000706000000000,  0.0003650300000000 ]  - [   0.0000005600000000, -0.0000139900000000,  0.0003486400000000 ]  - [   0.0000943300000000, -0.0000122300000000,  0.0003607300000000 ]  - [  -0.0000810800000000, -0.0000330900000000,  0.0003473800000000 ]  - [  -0.0018656600000000, -0.0023205300000000, -0.0076613300000000 ]  - [   0.0002127500000000, -0.0000879200000000, -0.0012349400000000 ]  - [   0.0012577700000000, -0.0006700700000000, -0.0006788800000000 ]  - [  -0.0012449700000000, -0.0003317700000000, -0.0006159300000000 ]  - [   0.0103539400000000,  0.0000998800000000,  0.0045713600000000 ]  - [  -0.0061950900000000,  0.0029290900000000, -0.0052128800000000 ]  - [   0.0008565700000000, -0.0018427800000000, -0.0033047600000000 ]  - [   0.0000273500000000, -0.0009252200000000, -0.0018514900000000 ]  - [  -0.0000180700000000,  0.0000167800000000,  0.0015018500000000 ]  - [   0.0000741700000000, -0.0002145900000000,  0.0012133800000000 ]  - [   0.0001386000000000,  0.0001420100000000,  0.0010430600000000 ]  - [  -0.0001874000000000,  0.0000810200000000,  0.0009568100000000 ]  - [  -0.0029133100000000,  0.0003880500000000,  0.0015907300000000 ]  - [   0.0037387700000000, -0.0001968900000000,  0.0003504500000000 ]  - [  -0.0043433900000000, -0.0045656900000000,  0.0019932000000000 ]  - [  -0.0000226700000000,  0.0002303300000000, -0.0004772500000000 ]  - [  -0.0011321300000000,  0.0018821800000000,  0.0024040500000000 ]  - [   0.0014068800000000,  0.0016754600000000,  0.0012838600000000 ]  - [   0.0006963600000000, -0.0022111800000000,  0.0013288800000000 ]  - [  -0.0005716000000000, -0.0006494000000000, -0.0001192400000000 ]  - [  -0.0000225600000000,  0.0000818800000000,  0.0017442900000000 ]  - [  -0.0001730700000000, -0.0004005400000000,  0.0010058000000000 ]  - [   0.0003618200000000, -0.0001297900000000,  0.0010716300000000 ]  - [  -0.0003075800000000,  0.0003359100000000,  0.0009431400000000 ]  - [  -0.0349944900000000,  0.1013587400000000, -0.0990169000000000 ]  - [   0.0015256000000000,  0.0000425400000000, -0.0032627800000000 ]  - [   0.0010165600000000, -0.0017139100000000, -0.0043195000000000 ]  - [  -0.0007131700000000, -0.0005635700000000, -0.0026631500000000 ]  - [   0.0315131800000000, -0.0954996000000000,  0.0984758100000000 ]  - [  -0.0000675900000000, -0.0004908200000000,  0.0014256700000000 ]  - [  -0.0006095200000000,  0.0011840400000000,  0.0006589000000000 ]  - [   0.0004824000000000,  0.0002438000000000,  0.0008997100000000 ]  - [  -0.0000897700000000, -0.0003068200000000, -0.0006645600000000 ]  - [  -0.0006055900000000, -0.0001602600000000, -0.0006629500000000 ]  - [  -0.0004435900000000,  0.0005639100000000, -0.0007188700000000 ]  - [  -0.0001388100000000, -0.0000909600000000, -0.0001124700000000 ]  - [  -0.0001663300000000, -0.0000857400000000, -0.0006650100000000 ]  - [  -0.0006037200000000,  0.0001729300000000, -0.0006651900000000 ]  - [  -0.0005015600000000,  0.0002613800000000, -0.0007201700000000 ]  - [   0.0000822800000000, -0.0001793800000000, -0.0001104800000000 ]  - [   0.0058815300000000, -0.0033219600000000,  0.0137994800000000 ]  - [  -0.0005306100000000,  0.0002065800000000,  0.0008679300000000 ]  - [  -0.0000431100000000,  0.0023532500000000,  0.0026595200000000 ]  - [   0.0014860000000000,  0.0010609900000000,  0.0025276000000000 ]  - [   0.0000541500000000, -0.0006453800000000, -0.0007042500000000 ]  - [  -0.0001795000000000, -0.0005631500000000, -0.0006447200000000 ]  - [   0.0001342200000000,  0.0001926000000000, -0.0005293700000000 ]  - [   0.0004281600000000,  0.0002419600000000, -0.0002248200000000 ]  - [   0.0001999800000000, -0.0002089400000000, -0.0007215600000000 ]  - [   0.0001200800000000,  0.0001344000000000, -0.0001081600000000 ]  - [   0.0002026900000000, -0.0003372900000000, -0.0005724900000000 ]  - [   0.0001124600000000, -0.0003788000000000, -0.0004663000000000 ]  - [  -0.0004043500000000, -0.0023546300000000, -0.0014560500000000 ]  - [   0.0001554600000000, -0.0008941600000000,  0.0008907300000000 ]  - [  -0.0004374000000000,  0.0012704800000000,  0.0012540600000000 ]  - [   0.0003867800000000,  0.0013053800000000,  0.0003259200000000 ]  - [   0.0003237700000000, -0.0000528700000000, -0.0006059100000000 ]  - [   0.0002334400000000,  0.0000459700000000, -0.0005067300000000 ]  - [   0.0002094400000000,  0.0000168100000000, -0.0004805800000000 ]  - [   0.0002740400000000, -0.0000165400000000, -0.0004396800000000 ]  - [   0.0020980600000000, -0.0001538600000000, -0.0014647500000000 ]  - [  -0.0010856800000000,  0.0006984100000000,  0.0008992700000000 ]  - [  -0.0002751800000000,  0.0020661300000000,  0.0012622500000000 ]  - [  -0.0001245400000000, -0.0003054000000000,  0.0003299500000000 ]  - [  -0.0028137300000000,  0.0026207700000000, -0.0038729300000000 ]  - [   0.0001022200000000,  0.0001870200000000,  0.0011130800000000 ]  - [  -0.0001195600000000, -0.0002638000000000,  0.0011794000000000 ]  - [  -0.0001884600000000, -0.0002644700000000,  0.0006003100000000 ]  - [  -0.0001041400000000,  0.0002600500000000, -0.0005789900000000 ]  - [  -0.0001113600000000,  0.0002472300000000, -0.0004762600000000 ]  - [  -0.0001836700000000,  0.0002387000000000, -0.0005438200000000 ]  - [  -0.0001116600000000,  0.0001946700000000, -0.0004537500000000 ]  - [   0.0032135700000000, -0.0024440300000000, -0.0038550400000000 ]  - [  -0.0008843000000000, -0.0009594600000000,  0.0010852300000000 ]  - [  -0.0006109400000000,  0.0076588800000000, -0.0053147300000000 ]  - [   0.0000488700000000, -0.0002748700000000,  0.0005755500000000 ]  - [  -0.0053408200000000,  0.0008264300000000, -0.0052717200000000 ]  - [   0.0073663800000000,  0.0001224700000000, -0.0038020500000000 ]  - [   0.0003573800000000, -0.0000524000000000,  0.0010795400000000 ]  - [   0.0000021300000000,  0.0001080300000000,  0.0005737100000000 ]  - [  -0.0001399800000000, -0.0001914700000000, -0.0005423200000000 ]  - [  -0.0001761200000000, -0.0002261900000000, -0.0005779400000000 ]  - [  -0.0001317200000000, -0.0002328900000000, -0.0004750200000000 ]  - [  -0.0001006600000000, -0.0002540100000000, -0.0004528600000000 ]  - [   0.0015815500000000, -0.0002481600000000,  0.0011869900000000 ]  - [  -0.0046223000000000, -0.0003760100000000, -0.0039240200000000 ]  - [   0.0015441300000000,  0.0006055300000000,  0.0011245700000000 ]  - [  -0.0000150600000000,  0.0002783400000000,  0.0006046000000000 ]  - [  -0.0030040200000000, -0.0063147100000000,  0.0138068300000000 ]  - [  -0.0012050900000000, -0.0014058600000000,  0.0026601800000000 ]  - [  -0.0016548400000000,  0.0025056600000000,  0.0025164200000000 ]  - [   0.0000914300000000,  0.0002753600000000,  0.0008679100000000 ]  - [   0.0005172600000000, -0.0000151500000000, -0.0007200400000000 ]  - [  -0.0001672300000000,  0.0000460900000000, -0.0005705700000000 ]  - [   0.0001295300000000,  0.0004796400000000, -0.0004649800000000 ]  - [   0.0000381500000000,  0.0002850100000000, -0.0001092600000000 ]  - [   0.0000114800000000,  0.0001264400000000, -0.0007038700000000 ]  - [   0.0003293800000000,  0.0003752500000000, -0.0005275300000000 ]  - [  -0.0002256700000000, -0.0000435900000000, -0.0002231700000000 ]  - [   0.0004275500000000,  0.0004221400000000, -0.0006446400000000 ]