# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2f3486ae-2d4b-4622-b517-24b7a66e55da/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 Cs2CaF4 / I4/mmm (139) / materials id 15157](https://mdr.nims.go.jp/datasets/884748b2-1650-4ea3-8b30-656be5b0822a)

## 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: "I4/mmm"  number: 139  Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -2.230983695000000,     2.230983695000000,     7.354370455000000 ] # a  - [     2.230983695000000,    -2.230983695000000,     7.354370455000000 ] # b  - [     2.230983695000000,     2.230983695000000,    -7.354370455000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.500000000000000,  1.000000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.847548950000000,  0.847548950000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.152451050000000,  0.152451050000000,  0.000000000000000 ]    mass: 18.998403  - symbol: Ca # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000  - symbol: Cs # 6    coordinates: [  0.649009490000000,  0.649009490000000,  0.000000000000000 ]    mass: 132.905452  - symbol: Cs # 7    coordinates: [  0.350990510000000,  0.350990510000000,  0.000000000000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.224116384678464,     0.067986784600994 ] # a*  - [     0.224116384678464,     0.000000000000000,     0.067986784600994 ] # b*  - [     0.224116384678464,     0.224116384678464,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     4.461967390000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.461967390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.708740910000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.347548950000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.152451050000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.847548950000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.652451050000000 ]    mass: 18.998403    reduced_to: 4  - symbol: Ca # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 9  - symbol: Ca # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 9  - symbol: Cs # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.149009490000000 ]    mass: 132.905452    reduced_to: 11  - symbol: Cs # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.350990510000000 ]    mass: 132.905452    reduced_to: 12  - symbol: Cs # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.649009490000000 ]    mass: 132.905452    reduced_to: 11  - symbol: Cs # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.850990510000000 ]    mass: 132.905452    reduced_to: 12supercell:  lattice:  - [    13.385902170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.385902170000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.708740910000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.333333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.666666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.333333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.666666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 7    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.333333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 9    coordinates: [  0.666666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 10    coordinates: [  0.166666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 12    coordinates: [  0.833333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 13    coordinates: [  0.166666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 14    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 15    coordinates: [  0.833333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 16    coordinates: [  0.166666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 17    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 18    coordinates: [  0.833333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 19    coordinates: [  0.166666666666667,  0.166666666666667,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.500000000000000,  0.166666666666667,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 21    coordinates: [  0.833333333333333,  0.166666666666667,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 22    coordinates: [  0.166666666666667,  0.500000000000000,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 24    coordinates: [  0.833333333333333,  0.500000000000000,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 25    coordinates: [  0.166666666666667,  0.833333333333333,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 26    coordinates: [  0.500000000000000,  0.833333333333333,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 27    coordinates: [  0.833333333333333,  0.833333333333333,  0.347548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.152451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 37    coordinates: [  0.166666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 39    coordinates: [  0.833333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 40    coordinates: [  0.166666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 41    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 42    coordinates: [  0.833333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 43    coordinates: [  0.166666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 44    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 45    coordinates: [  0.833333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 46    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 47    coordinates: [  0.333333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 48    coordinates: [  0.666666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 49    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 50    coordinates: [  0.333333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 51    coordinates: [  0.666666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 52    coordinates: [  0.000000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 53    coordinates: [  0.333333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 54    coordinates: [  0.666666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.847548950000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 64    coordinates: [  0.166666666666667,  0.166666666666667,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 65    coordinates: [  0.500000000000000,  0.166666666666667,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 66    coordinates: [  0.833333333333333,  0.166666666666667,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 67    coordinates: [  0.166666666666667,  0.500000000000000,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 69    coordinates: [  0.833333333333333,  0.500000000000000,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 70    coordinates: [  0.166666666666667,  0.833333333333333,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 71    coordinates: [  0.500000000000000,  0.833333333333333,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 72    coordinates: [  0.833333333333333,  0.833333333333333,  0.652451050000000 ]    mass: 18.998403    reduced_to: 28  - symbol: Ca # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 82    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 83    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 84    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 85    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 86    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 87    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 88    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 89    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Ca # 90    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 40.078000    reduced_to: 73  - symbol: Cs # 91    coordinates: [  0.166666666666667,  0.166666666666667,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 92    coordinates: [  0.500000000000000,  0.166666666666667,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 93    coordinates: [  0.833333333333333,  0.166666666666667,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 94    coordinates: [  0.166666666666667,  0.500000000000000,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 96    coordinates: [  0.833333333333333,  0.500000000000000,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 97    coordinates: [  0.166666666666667,  0.833333333333333,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 98    coordinates: [  0.500000000000000,  0.833333333333333,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 99    coordinates: [  0.833333333333333,  0.833333333333333,  0.149009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.350990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 110    coordinates: [  0.333333333333333,  0.000000000000000,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 111    coordinates: [  0.666666666666667,  0.000000000000000,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 112    coordinates: [  0.000000000000000,  0.333333333333333,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 113    coordinates: [  0.333333333333333,  0.333333333333333,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 114    coordinates: [  0.666666666666667,  0.333333333333333,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 115    coordinates: [  0.000000000000000,  0.666666666666667,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 116    coordinates: [  0.333333333333333,  0.666666666666667,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 117    coordinates: [  0.666666666666667,  0.666666666666667,  0.649009490000000 ]    mass: 132.905452    reduced_to: 91  - symbol: Cs # 118    coordinates: [  0.166666666666667,  0.166666666666667,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 119    coordinates: [  0.500000000000000,  0.166666666666667,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 120    coordinates: [  0.833333333333333,  0.166666666666667,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 121    coordinates: [  0.166666666666667,  0.500000000000000,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 122    coordinates: [  0.500000000000000,  0.500000000000000,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 123    coordinates: [  0.833333333333333,  0.500000000000000,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 124    coordinates: [  0.166666666666667,  0.833333333333333,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 125    coordinates: [  0.500000000000000,  0.833333333333333,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100  - symbol: Cs # 126    coordinates: [  0.833333333333333,  0.833333333333333,  0.850990510000000 ]    mass: 132.905452    reduced_to: 100born_effective_charge:- # 1 (F)  - [ -1.106111120000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.600789010000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.049810270000000 ]- # 2 (F)  - [ -1.600789010000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.106111120000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.049810270000000 ]- # 3 (F)  - [ -1.149153290000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.149153290000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -1.518227460000000 ]- # 4 (F)  - [ -1.149153290000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.149153290000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -1.518227460000000 ]- # 5 (Ca)  - [  2.414943750000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.414943750000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.347345980000000 ]- # 6 (Cs)  - [  1.295131480000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.295131480000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.394364740000000 ]- # 7 (Cs)  - [  1.295131480000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  1.295131480000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.394364740000000 ]dielectric_constant:  - [  2.364637990000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.364637990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.396432440000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0162079000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0012883200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0012682000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002063100000000, -0.0000226600000000,  0.0000000000000000 ]  - [   0.0002646900000000,  0.0003954500000000,  0.0000000000000000 ]  - [   0.0002906000000000, -0.0004265600000000,  0.0000000000000000 ]  - [  -0.0002063100000000,  0.0000226600000000,  0.0000000000000000 ]  - [   0.0002646900000000, -0.0003954500000000,  0.0000000000000000 ]  - [   0.0002906000000000,  0.0004265600000000,  0.0000000000000000 ]  - [   0.0013319800000000, -0.0034935100000000,  0.0000000000000000 ]  - [   0.0010711300000000,  0.0000187500000000,  0.0000000000000000 ]  - [   0.0013672800000000,  0.0034513000000000,  0.0000000000000000 ]  - [   0.0013319800000000,  0.0034935100000000,  0.0000000000000000 ]  - [   0.0010711300000000, -0.0000187500000000,  0.0000000000000000 ]  - [   0.0013672800000000, -0.0034513000000000,  0.0000000000000000 ]  - [  -0.0001788600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002965500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001093100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002904000000000,  0.0000000000000000,  0.0014238300000000 ]  - [   0.0003120000000000,  0.0000000000000000,  0.0002324400000000 ]  - [  -0.0002259600000000,  0.0000000000000000, -0.0009410200000000 ]  - [  -0.0000912600000000,  0.0000398000000000,  0.0003472300000000 ]  - [   0.0001895200000000,  0.0000185200000000,  0.0002306800000000 ]  - [  -0.0000957600000000, -0.0000690900000000,  0.0001212200000000 ]  - [  -0.0000912600000000, -0.0000398000000000,  0.0003472300000000 ]  - [   0.0001895200000000, -0.0000185200000000,  0.0002306800000000 ]  - [  -0.0000957600000000,  0.0000690900000000,  0.0001212200000000 ]  - [  -0.0018202200000000,  0.0000257200000000, -0.0002442700000000 ]  - [   0.0006980600000000, -0.0005120700000000, -0.0000046200000000 ]  - [   0.0007026800000000,  0.0004788000000000, -0.0004623700000000 ]  - [  -0.0018202200000000, -0.0000257200000000, -0.0002442700000000 ]  - [   0.0006980600000000,  0.0005120700000000, -0.0000046200000000 ]  - [   0.0007026800000000, -0.0004788000000000, -0.0004623700000000 ]  - [  -0.0003188700000000,  0.0000000000000000, -0.0002341800000000 ]  - [   0.0001896800000000,  0.0000000000000000, -0.0001795100000000 ]  - [   0.0001275500000000,  0.0000000000000000, -0.0002937100000000 ]  - [  -0.0001126200000000, -0.0001688300000000,  0.0000000000000000 ]  - [   0.0002566400000000, -0.0000007000000000,  0.0000000000000000 ]  - [  -0.0001383500000000,  0.0001308800000000,  0.0000000000000000 ]  - [  -0.0001126200000000,  0.0001688300000000,  0.0000000000000000 ]  - [   0.0002566400000000,  0.0000007000000000,  0.0000000000000000 ]  - [  -0.0001383500000000, -0.0001308800000000,  0.0000000000000000 ]  - [  -0.0000654600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001076700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000404900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004676600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002679600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001959200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001635800000000,  0.0000228200000000,  0.0000000000000000 ]  - [   0.0000993100000000,  0.0000734700000000,  0.0000000000000000 ]  - [   0.0000659700000000, -0.0000779200000000,  0.0000000000000000 ]  - [  -0.0001635800000000, -0.0000228200000000,  0.0000000000000000 ]  - [   0.0000993100000000, -0.0000734700000000,  0.0000000000000000 ]  - [   0.0000659700000000,  0.0000779200000000,  0.0000000000000000 ]  - [  -0.0018202200000000,  0.0000257200000000,  0.0002442700000000 ]  - [   0.0006980600000000, -0.0005120700000000,  0.0000046200000000 ]  - [   0.0007026800000000,  0.0004788000000000,  0.0004623700000000 ]  - [  -0.0018202200000000, -0.0000257200000000,  0.0002442700000000 ]  - [   0.0006980600000000,  0.0005120700000000,  0.0000046200000000 ]  - [   0.0007026800000000, -0.0004788000000000,  0.0004623700000000 ]  - [  -0.0003188700000000,  0.0000000000000000,  0.0002341800000000 ]  - [   0.0001896800000000,  0.0000000000000000,  0.0001795100000000 ]  - [   0.0001275500000000,  0.0000000000000000,  0.0002937100000000 ]  - [  -0.0002904000000000,  0.0000000000000000, -0.0014238300000000 ]  - [   0.0003120000000000,  0.0000000000000000, -0.0002324400000000 ]  - [  -0.0002259600000000,  0.0000000000000000,  0.0009410200000000 ]  - [  -0.0000912600000000,  0.0000398000000000, -0.0003472300000000 ]  - [   0.0001895200000000,  0.0000185200000000, -0.0002306800000000 ]  - [  -0.0000957600000000, -0.0000690900000000, -0.0001212200000000 ]  - [  -0.0000912600000000, -0.0000398000000000, -0.0003472300000000 ]  - [   0.0001895200000000, -0.0000185200000000, -0.0002306800000000 ]  - [  -0.0000957600000000,  0.0000690900000000, -0.0001212200000000 ]  - [   0.0061856400000000,  0.0000042700000000,  0.0000000000000000 ]  - [  -0.0019338000000000,  0.0008911100000000,  0.0000000000000000 ]  - [  -0.0020856500000000, -0.0009421200000000,  0.0000000000000000 ]  - [   0.0061856400000000, -0.0000042700000000,  0.0000000000000000 ]  - [  -0.0019338000000000, -0.0008911100000000,  0.0000000000000000 ]  - [  -0.0020856500000000,  0.0009421200000000,  0.0000000000000000 ]  - [   0.0005289400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002271800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003223100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002051900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005174300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003060200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000782000000000, -0.0001426700000000,  0.0000000000000000 ]  - [  -0.0003061900000000, -0.0000582100000000,  0.0000000000000000 ]  - [   0.0002283300000000,  0.0000747000000000,  0.0000000000000000 ]  - [   0.0000782000000000,  0.0001426700000000,  0.0000000000000000 ]  - [  -0.0003061900000000,  0.0000582100000000,  0.0000000000000000 ]  - [   0.0002283300000000, -0.0000747000000000,  0.0000000000000000 ]  - [   0.0046891600000000,  0.0000000000000000, -0.0009807500000000 ]  - [  -0.0009387000000000,  0.0000000000000000, -0.0025270900000000 ]  - [  -0.0021296000000000,  0.0000000000000000,  0.0003554800000000 ]  - [   0.0018119500000000,  0.0013030500000000, -0.0018902000000000 ]  - [  -0.0003716800000000, -0.0000738600000000, -0.0032402700000000 ]  - [  -0.0014358400000000,  0.0020946700000000, -0.0014296400000000 ]  - [   0.0018119500000000, -0.0013030500000000, -0.0018902000000000 ]  - [  -0.0003716800000000,  0.0000738600000000, -0.0032402700000000 ]  - [  -0.0014358400000000, -0.0020946700000000, -0.0014296400000000 ]  - [   0.0004892300000000, -0.0000714500000000,  0.0032407800000000 ]  - [  -0.0018766200000000,  0.0018854600000000,  0.0013985100000000 ]  - [   0.0013657600000000,  0.0015148100000000,  0.0019194900000000 ]  - [   0.0004892300000000,  0.0000714500000000,  0.0032407800000000 ]  - [  -0.0018766200000000, -0.0018854600000000,  0.0013985100000000 ]  - [   0.0013657600000000, -0.0015148100000000,  0.0019194900000000 ]  - [   0.0001593800000000,  0.0000000000000000,  0.0023586500000000 ]  - [  -0.0034529700000000,  0.0000000000000000,  0.0002998800000000 ]  - [   0.0032897400000000,  0.0000000000000000,  0.0003883100000000 ]  - [   0.0004892300000000, -0.0000714500000000, -0.0032407800000000 ]  - [  -0.0018766200000000,  0.0018854600000000, -0.0013985100000000 ]  - [   0.0013657600000000,  0.0015148100000000, -0.0019194900000000 ]  - [   0.0004892300000000,  0.0000714500000000, -0.0032407800000000 ]  - [  -0.0018766200000000, -0.0018854600000000, -0.0013985100000000 ]  - [   0.0013657600000000, -0.0015148100000000, -0.0019194900000000 ]  - [   0.0001593800000000,  0.0000000000000000, -0.0023586500000000 ]  - [  -0.0034529700000000,  0.0000000000000000, -0.0002998800000000 ]  - [   0.0032897400000000,  0.0000000000000000, -0.0003883100000000 ]  - [   0.0046891600000000,  0.0000000000000000,  0.0009807500000000 ]  - [  -0.0009387000000000,  0.0000000000000000,  0.0025270900000000 ]  - [  -0.0021296000000000,  0.0000000000000000, -0.0003554800000000 ]  - [   0.0018119500000000,  0.0013030500000000,  0.0018902000000000 ]  - [  -0.0003716800000000, -0.0000738600000000,  0.0032402700000000 ]  - [  -0.0014358400000000,  0.0020946700000000,  0.0014296400000000 ]  - [   0.0018119500000000, -0.0013030500000000,  0.0018902000000000 ]  - [  -0.0003716800000000,  0.0000738600000000,  0.0032402700000000 ]  - [  -0.0014358400000000, -0.0020946700000000,  0.0014296400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0946288400000000,  0.0000000000000000 ]  - [   0.0000022700000000, -0.0011193600000000,  0.0000000000000000 ]  - [  -0.0000022700000000, -0.0011193600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0087697800000000,  0.0000000000000000 ]  - [   0.0003847400000000,  0.0005502600000000,  0.0000000000000000 ]  - [  -0.0003847400000000,  0.0005502600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0086523800000000,  0.0000000000000000 ]  - [  -0.0003958600000000,  0.0005529600000000,  0.0000000000000000 ]  - [   0.0003958600000000,  0.0005529600000000,  0.0000000000000000 ]  - [  -0.0058581500000000,  0.0013482600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001568400000000,  0.0000000000000000 ]  - [   0.0058581500000000,  0.0013482600000000,  0.0000000000000000 ]  - [   0.0058782600000000,  0.0013481100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001711900000000,  0.0000000000000000 ]  - [  -0.0058782600000000,  0.0013481100000000,  0.0000000000000000 ]  - [  -0.0000122200000000,  0.0010597000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003243900000000,  0.0000000000000000 ]  - [   0.0000122200000000,  0.0010597000000000,  0.0000000000000000 ]  - [  -0.0000257800000000, -0.0003550200000000,  0.0001975200000000 ]  - [   0.0000000000000000, -0.0001349300000000,  0.0001970700000000 ]  - [   0.0000257800000000, -0.0003550200000000,  0.0001975200000000 ]  - [   0.0001119700000000,  0.0001557400000000,  0.0005637200000000 ]  - [   0.0000000000000000,  0.0000494800000000,  0.0003141900000000 ]  - [  -0.0001119700000000,  0.0001557400000000,  0.0005637200000000 ]  - [  -0.0001351500000000,  0.0002092400000000, -0.0000871600000000 ]  - [   0.0000000000000000,  0.0000716500000000,  0.0001637000000000 ]  - [   0.0001351500000000,  0.0002092400000000, -0.0000871600000000 ]  - [   0.0000000000000000,  0.0015012800000000, -0.0059901300000000 ]  - [  -0.0003258900000000, -0.0003111000000000, -0.0005971500000000 ]  - [   0.0003258900000000, -0.0003111000000000, -0.0005971500000000 ]  - [   0.0000000000000000,  0.0014551600000000,  0.0056082900000000 ]  - [   0.0003247200000000, -0.0002730100000000,  0.0001643700000000 ]  - [  -0.0003247200000000, -0.0002730100000000,  0.0001643700000000 ]  - [   0.0000000000000000,  0.0011920900000000, -0.0002073400000000 ]  - [   0.0000399900000000,  0.0005138600000000, -0.0002695900000000 ]  - [  -0.0000399900000000,  0.0005138600000000, -0.0002695900000000 ]  - [  -0.0001163700000000, -0.0001727700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001069000000000,  0.0000000000000000 ]  - [   0.0001163700000000, -0.0001727700000000,  0.0000000000000000 ]  - [   0.0001438900000000, -0.0000833400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000348000000000,  0.0000000000000000 ]  - [  -0.0001438900000000, -0.0000833400000000,  0.0000000000000000 ]  - [  -0.0000417900000000,  0.0002474400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001268900000000,  0.0000000000000000 ]  - [   0.0000417900000000,  0.0002474400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004429100000000,  0.0000000000000000 ]  - [   0.0000363500000000, -0.0001769700000000,  0.0000000000000000 ]  - [  -0.0000363500000000, -0.0001769700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002276900000000,  0.0000000000000000 ]  - [   0.0000877400000000,  0.0000438800000000,  0.0000000000000000 ]  - [  -0.0000877400000000,  0.0000438800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001940100000000,  0.0000000000000000 ]  - [  -0.0000306300000000,  0.0001190100000000,  0.0000000000000000 ]  - [   0.0000306300000000,  0.0001190100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0015012800000000,  0.0059901300000000 ]  - [  -0.0003258900000000, -0.0003111000000000,  0.0005971500000000 ]  - [   0.0003258900000000, -0.0003111000000000,  0.0005971500000000 ]  - [   0.0000000000000000,  0.0014551600000000, -0.0056082900000000 ]  - [   0.0003247200000000, -0.0002730100000000, -0.0001643700000000 ]  - [  -0.0003247200000000, -0.0002730100000000, -0.0001643700000000 ]  - [   0.0000000000000000,  0.0011920900000000,  0.0002073400000000 ]  - [   0.0000399900000000,  0.0005138600000000,  0.0002695900000000 ]  - [  -0.0000399900000000,  0.0005138600000000,  0.0002695900000000 ]  - [  -0.0000257800000000, -0.0003550200000000, -0.0001975200000000 ]  - [   0.0000000000000000, -0.0001349300000000, -0.0001970700000000 ]  - [   0.0000257800000000, -0.0003550200000000, -0.0001975200000000 ]  - [   0.0001119700000000,  0.0001557400000000, -0.0005637200000000 ]  - [   0.0000000000000000,  0.0000494800000000, -0.0003141900000000 ]  - [  -0.0001119700000000,  0.0001557400000000, -0.0005637200000000 ]  - [  -0.0001351500000000,  0.0002092400000000,  0.0000871600000000 ]  - [   0.0000000000000000,  0.0000716500000000, -0.0001637000000000 ]  - [   0.0001351500000000,  0.0002092400000000,  0.0000871600000000 ]  - [   0.0000000000000000,  0.0304280900000000,  0.0000000000000000 ]  - [   0.0021514500000000,  0.0005305700000000,  0.0000000000000000 ]  - [  -0.0021514500000000,  0.0005305700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0328311200000000,  0.0000000000000000 ]  - [  -0.0020181500000000,  0.0005761100000000,  0.0000000000000000 ]  - [   0.0020181500000000,  0.0005761100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0049099600000000,  0.0000000000000000 ]  - [   0.0000392200000000, -0.0011536200000000,  0.0000000000000000 ]  - [  -0.0000392200000000, -0.0011536200000000,  0.0000000000000000 ]  - [  -0.0000512700000000,  0.0004914000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001501000000000,  0.0000000000000000 ]  - [   0.0000512700000000,  0.0004914000000000,  0.0000000000000000 ]  - [  -0.0002152600000000, -0.0002613300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000614600000000,  0.0000000000000000 ]  - [   0.0002152600000000, -0.0002613300000000,  0.0000000000000000 ]  - [   0.0001104100000000, -0.0002514000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000984900000000,  0.0000000000000000 ]  - [  -0.0001104100000000, -0.0002514000000000,  0.0000000000000000 ]  - [   0.0033780100000000,  0.0061652600000000, -0.0003361100000000 ]  - [   0.0000000000000000,  0.0006297800000000, -0.0025423800000000 ]  - [  -0.0033780100000000,  0.0061652600000000, -0.0003361100000000 ]  - [  -0.0005389800000000, -0.0010485600000000, -0.0032972900000000 ]  - [   0.0000000000000000, -0.0001861500000000, -0.0034616300000000 ]  - [   0.0005389800000000, -0.0010485600000000, -0.0032972900000000 ]  - [   0.0041542500000000, -0.0043850900000000,  0.0004023800000000 ]  - [   0.0000000000000000, -0.0000788800000000, -0.0028512600000000 ]  - [  -0.0041542500000000, -0.0043850900000000,  0.0004023800000000 ]  - [   0.0000000000000000,  0.0002047700000000,  0.0040918300000000 ]  - [  -0.0001599300000000,  0.0001245000000000,  0.0026676100000000 ]  - [   0.0001599300000000,  0.0001245000000000,  0.0026676100000000 ]  - [   0.0000000000000000, -0.0000578200000000,  0.0017972200000000 ]  - [  -0.0034604500000000, -0.0032405200000000,  0.0002335900000000 ]  - [   0.0034604500000000, -0.0032405200000000,  0.0002335900000000 ]  - [   0.0000000000000000, -0.0001298100000000,  0.0024871800000000 ]  - [  -0.0033287000000000,  0.0030886700000000,  0.0003880800000000 ]  - [   0.0033287000000000,  0.0030886700000000,  0.0003880800000000 ]  - [   0.0000000000000000,  0.0002047700000000, -0.0040918300000000 ]  - [  -0.0001599300000000,  0.0001245000000000, -0.0026676100000000 ]  - [   0.0001599300000000,  0.0001245000000000, -0.0026676100000000 ]  - [   0.0000000000000000, -0.0000578200000000, -0.0017972200000000 ]  - [  -0.0034604500000000, -0.0032405200000000, -0.0002335900000000 ]  - [   0.0034604500000000, -0.0032405200000000, -0.0002335900000000 ]  - [   0.0000000000000000, -0.0001298100000000, -0.0024871800000000 ]  - [  -0.0033287000000000,  0.0030886700000000, -0.0003880800000000 ]  - [   0.0033287000000000,  0.0030886700000000, -0.0003880800000000 ]  - [   0.0033780100000000,  0.0061652600000000,  0.0003361100000000 ]  - [   0.0000000000000000,  0.0006297800000000,  0.0025423800000000 ]  - [  -0.0033780100000000,  0.0061652600000000,  0.0003361100000000 ]  - [  -0.0005389800000000, -0.0010485600000000,  0.0032972900000000 ]  - [   0.0000000000000000, -0.0001861500000000,  0.0034616300000000 ]  - [   0.0005389800000000, -0.0010485600000000,  0.0032972900000000 ]  - [   0.0041542500000000, -0.0043850900000000, -0.0004023800000000 ]  - [   0.0000000000000000, -0.0000788800000000,  0.0028512600000000 ]  - [  -0.0041542500000000, -0.0043850900000000, -0.0004023800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0167064100000000 ]  - [   0.0000103700000000,  0.0000000000000000, -0.0010923400000000 ]  - [  -0.0000103700000000,  0.0000000000000000, -0.0010923400000000 ]  - [   0.0000000000000000, -0.0000187200000000, -0.0002832900000000 ]  - [  -0.0000134900000000, -0.0000162000000000, -0.0002982800000000 ]  - [   0.0000134900000000, -0.0000162000000000, -0.0002982800000000 ]  - [   0.0000000000000000,  0.0000187200000000, -0.0002832900000000 ]  - [  -0.0000134900000000,  0.0000162000000000, -0.0002982800000000 ]  - [   0.0000134900000000,  0.0000162000000000, -0.0002982800000000 ]  - [  -0.0000335000000000,  0.0000023800000000, -0.0016802500000000 ]  - [   0.0000000000000000,  0.0000197700000000, -0.0003315000000000 ]  - [   0.0000335000000000,  0.0000023800000000, -0.0016802500000000 ]  - [  -0.0000335000000000, -0.0000023800000000, -0.0016802500000000 ]  - [   0.0000000000000000, -0.0000197700000000, -0.0003315000000000 ]  - [   0.0000335000000000, -0.0000023800000000, -0.0016802500000000 ]  - [  -0.0000339500000000,  0.0000000000000000, -0.0003310800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001846600000000 ]  - [   0.0000339500000000,  0.0000000000000000, -0.0003310800000000 ]  - [   0.0000383200000000,  0.0000000000000000,  0.0015585700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004746400000000 ]  - [  -0.0000383200000000,  0.0000000000000000,  0.0015585700000000 ]  - [   0.0000831500000000,  0.0001270800000000,  0.0004833000000000 ]  - [   0.0000000000000000,  0.0000928300000000,  0.0003583500000000 ]  - [  -0.0000831500000000,  0.0001270800000000,  0.0004833000000000 ]  - [   0.0000831500000000, -0.0001270800000000,  0.0004833000000000 ]  - [   0.0000000000000000, -0.0000928300000000,  0.0003583500000000 ]  - [  -0.0000831500000000, -0.0001270800000000,  0.0004833000000000 ]  - [   0.0000000000000000, -0.0038272300000000,  0.0009346500000000 ]  - [   0.0004817700000000, -0.0005354200000000, -0.0005725100000000 ]  - [  -0.0004817700000000, -0.0005354200000000, -0.0005725100000000 ]  - [   0.0000000000000000,  0.0038272300000000,  0.0009346500000000 ]  - [   0.0004817700000000,  0.0005354200000000, -0.0005725100000000 ]  - [  -0.0004817700000000,  0.0005354200000000, -0.0005725100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003998700000000 ]  - [   0.0001227600000000,  0.0000000000000000, -0.0003569400000000 ]  - [  -0.0001227600000000,  0.0000000000000000, -0.0003569400000000 ]  - [   0.0000128800000000, -0.0000202600000000,  0.0004490200000000 ]  - [   0.0000000000000000, -0.0000042500000000,  0.0002735700000000 ]  - [  -0.0000128800000000, -0.0000202600000000,  0.0004490200000000 ]  - [   0.0000128800000000,  0.0000202600000000,  0.0004490200000000 ]  - [   0.0000000000000000,  0.0000042500000000,  0.0002735700000000 ]  - [  -0.0000128800000000,  0.0000202600000000,  0.0004490200000000 ]  - [  -0.0000107100000000,  0.0000000000000000,  0.0001818900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001396700000000 ]  - [   0.0000107100000000,  0.0000000000000000,  0.0001818900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006437900000000 ]  - [   0.0000342200000000,  0.0000000000000000,  0.0003473600000000 ]  - [  -0.0000342200000000,  0.0000000000000000,  0.0003473600000000 ]  - [   0.0000000000000000,  0.0000206400000000,  0.0003476500000000 ]  - [   0.0000153300000000, -0.0000020900000000,  0.0002130700000000 ]  - [  -0.0000153300000000, -0.0000020900000000,  0.0002130700000000 ]  - [   0.0000000000000000, -0.0000206400000000,  0.0003476500000000 ]  - [   0.0000153300000000,  0.0000020900000000,  0.0002130700000000 ]  - [  -0.0000153300000000,  0.0000020900000000,  0.0002130700000000 ]  - [   0.0000000000000000,  0.0038217700000000,  0.0013820500000000 ]  - [  -0.0004826100000000,  0.0005011700000000, -0.0001124500000000 ]  - [   0.0004826100000000,  0.0005011700000000, -0.0001124500000000 ]  - [   0.0000000000000000, -0.0038217700000000,  0.0013820500000000 ]  - [  -0.0004826100000000, -0.0005011700000000, -0.0001124500000000 ]  - [   0.0004826100000000, -0.0005011700000000, -0.0001124500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000619400000000 ]  - [  -0.0000602700000000,  0.0000000000000000,  0.0001108100000000 ]  - [   0.0000602700000000,  0.0000000000000000,  0.0001108100000000 ]  - [  -0.0001018400000000,  0.0000000000000000,  0.0010866400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000238200000000 ]  - [   0.0001018400000000,  0.0000000000000000,  0.0010866400000000 ]  - [  -0.0000785700000000, -0.0001561400000000,  0.0000224100000000 ]  - [   0.0000000000000000, -0.0000555300000000, -0.0000941100000000 ]  - [   0.0000785700000000, -0.0001561400000000,  0.0000224100000000 ]  - [  -0.0000785700000000,  0.0001561400000000,  0.0000224100000000 ]  - [   0.0000000000000000,  0.0000555300000000, -0.0000941100000000 ]  - [   0.0000785700000000,  0.0001561400000000,  0.0000224100000000 ]  - [   0.0000000000000000,  0.0000062800000000,  0.0065280000000000 ]  - [   0.0000850900000000, -0.0000257900000000,  0.0013183300000000 ]  - [  -0.0000850900000000, -0.0000257900000000,  0.0013183300000000 ]  - [   0.0000000000000000, -0.0000062800000000,  0.0065280000000000 ]  - [   0.0000850900000000,  0.0000257900000000,  0.0013183300000000 ]  - [  -0.0000850900000000,  0.0000257900000000,  0.0013183300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006071500000000 ]  - [   0.0000488300000000,  0.0000000000000000,  0.0004656400000000 ]  - [  -0.0000488300000000,  0.0000000000000000,  0.0004656400000000 ]  - [  -0.0000493400000000,  0.0000000000000000, -0.0014022800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005693500000000 ]  - [   0.0000493400000000,  0.0000000000000000, -0.0014022800000000 ]  - [  -0.0000812400000000, -0.0000294500000000, -0.0005744300000000 ]  - [   0.0000000000000000, -0.0000586300000000, -0.0003852800000000 ]  - [   0.0000812400000000, -0.0000294500000000, -0.0005744300000000 ]  - [  -0.0000812400000000,  0.0000294500000000, -0.0005744300000000 ]  - [   0.0000000000000000,  0.0000586300000000, -0.0003852800000000 ]  - [   0.0000812400000000,  0.0000294500000000, -0.0005744300000000 ]  - [   0.0028250800000000,  0.0000000000000000,  0.0009766100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023076100000000 ]  - [  -0.0028250800000000,  0.0000000000000000,  0.0009766100000000 ]  - [   0.0014010100000000,  0.0012977300000000, -0.0014411700000000 ]  - [   0.0000000000000000, -0.0001726200000000, -0.0031167800000000 ]  - [  -0.0014010100000000,  0.0012977300000000, -0.0014411700000000 ]  - [   0.0014010100000000, -0.0012977300000000, -0.0014411700000000 ]  - [   0.0000000000000000,  0.0001726200000000, -0.0031167800000000 ]  - [  -0.0014010100000000, -0.0012977300000000, -0.0014411700000000 ]  - [   0.0000000000000000,  0.0002472800000000,  0.0023103900000000 ]  - [  -0.0018044800000000,  0.0018807200000000,  0.0012785600000000 ]  - [   0.0018044800000000,  0.0018807200000000,  0.0012785600000000 ]  - [   0.0000000000000000, -0.0002472800000000,  0.0023103900000000 ]  - [  -0.0018044800000000, -0.0018807200000000,  0.0012785600000000 ]  - [   0.0018044800000000, -0.0018807200000000,  0.0012785600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023469000000000 ]  - [  -0.0034097400000000,  0.0000000000000000,  0.0002115000000000 ]  - [   0.0034097400000000,  0.0000000000000000,  0.0002115000000000 ]  - [   0.0000000000000000, -0.0003902900000000, -0.0041694400000000 ]  - [  -0.0014401400000000,  0.0015187400000000, -0.0020398300000000 ]  - [   0.0014401400000000,  0.0015187400000000, -0.0020398300000000 ]  - [   0.0000000000000000,  0.0003902900000000, -0.0041694400000000 ]  - [  -0.0014401400000000, -0.0015187400000000, -0.0020398300000000 ]  - [   0.0014401400000000, -0.0015187400000000, -0.0020398300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027308200000000 ]  - [  -0.0033340900000000,  0.0000000000000000, -0.0004808700000000 ]  - [   0.0033340900000000,  0.0000000000000000, -0.0004808700000000 ]  - [   0.0039834200000000,  0.0000000000000000,  0.0015980200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029278200000000 ]  - [  -0.0039834200000000,  0.0000000000000000,  0.0015980200000000 ]  - [   0.0018434900000000,  0.0021001500000000,  0.0018765000000000 ]  - [   0.0000000000000000,  0.0000270700000000,  0.0033641500000000 ]  - [  -0.0018434900000000,  0.0021001500000000,  0.0018765000000000 ]  - [   0.0018434900000000, -0.0021001500000000,  0.0018765000000000 ]  - [   0.0000000000000000, -0.0000270700000000,  0.0033641500000000 ]  - [  -0.0018434900000000, -0.0021001500000000,  0.0018765000000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002568400000000,  0.0000000000000000,  0.0000701700000000 ]  - [  -0.0002538100000000,  0.0000000000000000, -0.0000707800000000 ]  - [   0.0003036800000000,  0.0000000000000000, -0.0000020500000000 ]  - [  -0.0000934800000000, -0.0000987600000000,  0.0000807500000000 ]  - [  -0.0001077000000000,  0.0000741500000000, -0.0000812000000000 ]  - [   0.0002017000000000, -0.0000206500000000, -0.0000005800000000 ]  - [  -0.0000934800000000,  0.0000987600000000,  0.0000807500000000 ]  - [  -0.0001077000000000, -0.0000741500000000, -0.0000812000000000 ]  - [   0.0002017000000000,  0.0000206500000000, -0.0000005800000000 ]  - [  -0.0003372200000000, -0.0000011700000000,  0.0000007700000000 ]  - [   0.0001692800000000, -0.0000365100000000, -0.0001430800000000 ]  - [   0.0001926000000000,  0.0000508900000000,  0.0001406500000000 ]  - [  -0.0003372200000000,  0.0000011700000000,  0.0000007700000000 ]  - [   0.0001692800000000,  0.0000365100000000, -0.0001430800000000 ]  - [   0.0001926000000000, -0.0000508900000000,  0.0001406500000000 ]  - [  -0.0001908400000000,  0.0000000000000000,  0.0000001400000000 ]  - [   0.0000765000000000,  0.0000000000000000, -0.0000743000000000 ]  - [   0.0001151500000000,  0.0000000000000000,  0.0000743100000000 ]  - [  -0.0123141500000000,  0.0000000000000000,  0.0002618900000000 ]  - [   0.0015261300000000,  0.0000000000000000,  0.0002373100000000 ]  - [   0.0015653700000000,  0.0000000000000000,  0.0002280400000000 ]  - [  -0.0012477900000000, -0.0000143300000000,  0.0002368600000000 ]  - [   0.0008824400000000,  0.0007067700000000,  0.0002640100000000 ]  - [   0.0008777500000000, -0.0007001500000000,  0.0002002500000000 ]  - [  -0.0012477900000000,  0.0000143300000000,  0.0002368600000000 ]  - [   0.0008824400000000, -0.0007067700000000,  0.0002640100000000 ]  - [   0.0008777500000000,  0.0007001500000000,  0.0002002500000000 ]  - [  -0.0001280700000000,  0.0002816600000000,  0.0009737600000000 ]  - [  -0.0001349400000000, -0.0002774500000000, -0.0014459200000000 ]  - [   0.0004185100000000, -0.0000148100000000, -0.0002343200000000 ]  - [  -0.0001280700000000, -0.0002816600000000,  0.0009737600000000 ]  - [  -0.0001349400000000,  0.0002774500000000, -0.0014459200000000 ]  - [   0.0004185100000000,  0.0000148100000000, -0.0002343200000000 ]  - [  -0.0001385700000000,  0.0000000000000000, -0.0000849800000000 ]  - [  -0.0001094800000000,  0.0000000000000000, -0.0003773800000000 ]  - [   0.0002479300000000,  0.0000000000000000, -0.0002351900000000 ]  - [  -0.0018070200000000, -0.0000033000000000, -0.0000067800000000 ]  - [   0.0006990700000000, -0.0002979400000000,  0.0004849900000000 ]  - [   0.0006865900000000,  0.0002756700000000, -0.0004808800000000 ]  - [  -0.0018070200000000,  0.0000033000000000, -0.0000067800000000 ]  - [   0.0006990700000000,  0.0002979400000000,  0.0004849900000000 ]  - [   0.0006865900000000, -0.0002756700000000, -0.0004808800000000 ]  - [  -0.0003261800000000,  0.0000000000000000,  0.0000028400000000 ]  - [   0.0001569300000000,  0.0000000000000000,  0.0000922100000000 ]  - [   0.0001658800000000,  0.0000000000000000, -0.0000914900000000 ]  - [   0.0015014600000000,  0.0000000000000000, -0.0038038900000000 ]  - [   0.0015295500000000,  0.0000000000000000,  0.0038445300000000 ]  - [   0.0011296800000000,  0.0000000000000000,  0.0000017700000000 ]  - [  -0.0002977300000000, -0.0004776400000000, -0.0005148600000000 ]  - [  -0.0002896700000000,  0.0004920600000000,  0.0005208500000000 ]  - [   0.0005288000000000, -0.0000038400000000,  0.0000006400000000 ]  - [  -0.0002977300000000,  0.0004776400000000, -0.0005148600000000 ]  - [  -0.0002896700000000, -0.0004920600000000,  0.0005208500000000 ]  - [   0.0005288000000000,  0.0000038400000000,  0.0000006400000000 ]  - [  -0.0000682300000000,  0.0000275100000000,  0.0002028500000000 ]  - [  -0.0000713900000000, -0.0000231500000000,  0.0002627600000000 ]  - [   0.0001406200000000, -0.0000139000000000,  0.0002314000000000 ]  - [  -0.0000682300000000, -0.0000275100000000,  0.0002028500000000 ]  - [  -0.0000713900000000,  0.0000231500000000,  0.0002627600000000 ]  - [   0.0001406200000000,  0.0000139000000000,  0.0002314000000000 ]  - [  -0.0000538400000000,  0.0000000000000000,  0.0002057900000000 ]  - [  -0.0000244400000000,  0.0000000000000000,  0.0002521600000000 ]  - [   0.0000778800000000,  0.0000000000000000,  0.0002334500000000 ]  - [  -0.0002991500000000,  0.0000000000000000, -0.0002602900000000 ]  - [   0.0003278100000000,  0.0000000000000000,  0.0002491700000000 ]  - [   0.0003613200000000,  0.0000000000000000, -0.0007071700000000 ]  - [  -0.0002984600000000, -0.0000150000000000, -0.0002347400000000 ]  - [   0.0001485700000000,  0.0000852800000000, -0.0000478300000000 ]  - [   0.0001493000000000, -0.0000821100000000, -0.0004146400000000 ]  - [  -0.0002984600000000,  0.0000150000000000, -0.0002347400000000 ]  - [   0.0001485700000000, -0.0000852800000000, -0.0000478300000000 ]  - [   0.0001493000000000,  0.0000821100000000, -0.0004146400000000 ]  - [   0.0002413600000000, -0.0001053400000000, -0.0005013400000000 ]  - [   0.0003284100000000,  0.0000046800000000,  0.0005007800000000 ]  - [  -0.0005430000000000, -0.0000297700000000,  0.0000022200000000 ]  - [   0.0002413600000000,  0.0001053400000000, -0.0005013400000000 ]  - [   0.0003284100000000, -0.0000046800000000,  0.0005007800000000 ]  - [  -0.0005430000000000,  0.0000297700000000,  0.0000022200000000 ]  - [   0.0001558400000000,  0.0000000000000000, -0.0001017800000000 ]  - [   0.0002016400000000,  0.0000000000000000,  0.0001101300000000 ]  - [  -0.0003577300000000,  0.0000000000000000,  0.0000019400000000 ]  - [   0.0074406900000000,  0.0000000000000000, -0.0000441600000000 ]  - [  -0.0022146200000000,  0.0000000000000000, -0.0010359300000000 ]  - [  -0.0021643600000000,  0.0000000000000000,  0.0010255000000000 ]  - [   0.0012448200000000, -0.0000195400000000, -0.0000021000000000 ]  - [  -0.0006956700000000, -0.0005947800000000, -0.0005689300000000 ]  - [  -0.0006122100000000,  0.0005011000000000,  0.0005643600000000 ]  - [   0.0012448200000000,  0.0000195400000000, -0.0000021000000000 ]  - [  -0.0006956700000000,  0.0005947800000000, -0.0005689300000000 ]  - [  -0.0006122100000000, -0.0005011000000000,  0.0005643600000000 ]  - [   0.0050041300000000,  0.0000000000000000, -0.0003338200000000 ]  - [  -0.0006139400000000,  0.0000000000000000, -0.0023427700000000 ]  - [  -0.0039884900000000,  0.0000000000000000, -0.0009836300000000 ]  - [   0.0021587200000000,  0.0016997000000000, -0.0016549700000000 ]  - [  -0.0002706700000000, -0.0002545400000000, -0.0029523000000000 ]  - [  -0.0018942900000000,  0.0018808100000000, -0.0019382600000000 ]  - [   0.0021587200000000, -0.0016997000000000, -0.0016549700000000 ]  - [  -0.0002706700000000,  0.0002545400000000, -0.0029523000000000 ]  - [  -0.0018942900000000, -0.0018808100000000, -0.0019382600000000 ]  - [   0.0007287000000000, -0.0011249600000000,  0.0033009000000000 ]  - [  -0.0008354800000000,  0.0026952100000000,  0.0015950200000000 ]  - [   0.0006378900000000,  0.0016971800000000,  0.0016575500000000 ]  - [   0.0007287000000000,  0.0011249600000000,  0.0033009000000000 ]  - [  -0.0008354800000000, -0.0026952100000000,  0.0015950200000000 ]  - [   0.0006378900000000, -0.0016971800000000,  0.0016575500000000 ]  - [   0.0002420900000000,  0.0000000000000000,  0.0029532000000000 ]  - [  -0.0031287000000000,  0.0000000000000000,  0.0003673000000000 ]  - [   0.0029002500000000,  0.0000000000000000,  0.0003412000000000 ]  - [   0.0001929300000000, -0.0003086200000000, -0.0027592800000000 ]  - [  -0.0014235300000000,  0.0019299400000000, -0.0021390900000000 ]  - [   0.0012320300000000,  0.0016955500000000, -0.0016602100000000 ]  - [   0.0001929300000000,  0.0003086200000000, -0.0027592800000000 ]  - [  -0.0014235300000000, -0.0019299400000000, -0.0021390900000000 ]  - [   0.0012320300000000, -0.0016955500000000, -0.0016602100000000 ]  - [   0.0001044800000000,  0.0000000000000000, -0.0028574000000000 ]  - [  -0.0032639500000000,  0.0000000000000000, -0.0004714000000000 ]  - [   0.0031583000000000,  0.0000000000000000, -0.0003418700000000 ]  - [   0.0035796800000000,  0.0000000000000000,  0.0003445100000000 ]  - [  -0.0001037600000000,  0.0000000000000000,  0.0029495500000000 ]  - [  -0.0034761000000000,  0.0000000000000000,  0.0003850300000000 ]  - [   0.0017820100000000,  0.0016986500000000,  0.0016578600000000 ]  - [  -0.0000793000000000, -0.0000996100000000,  0.0032275300000000 ]  - [  -0.0017029600000000,  0.0017276400000000,  0.0016686400000000 ]  - [   0.0017820100000000, -0.0016986500000000,  0.0016578600000000 ]  - [  -0.0000793000000000,  0.0000996100000000,  0.0032275300000000 ]  - [  -0.0017029600000000, -0.0017276400000000,  0.0016686400000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0011690100000000,  0.0000000000000000,  0.0013201200000000 ]  - [  -0.0011690100000000,  0.0000000000000000,  0.0013201200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002496700000000 ]  - [   0.0001181200000000, -0.0003337100000000,  0.0002547300000000 ]  - [  -0.0001181200000000, -0.0003337100000000,  0.0002547300000000 ]  - [   0.0000000000000000, -0.0000857600000000,  0.0001343600000000 ]  - [   0.0001181200000000,  0.0003337100000000,  0.0002547300000000 ]  - [  -0.0001181200000000,  0.0003337100000000,  0.0002547300000000 ]  - [   0.0000000000000000,  0.0000857600000000,  0.0001343600000000 ]  - [   0.0000000000000000,  0.0011690100000000,  0.0013201200000000 ]  - [  -0.0003337100000000,  0.0001181200000000,  0.0002547300000000 ]  - [   0.0003337100000000,  0.0001181200000000,  0.0002547300000000 ]  - [   0.0000000000000000, -0.0011690100000000,  0.0013201200000000 ]  - [  -0.0003337100000000, -0.0001181200000000,  0.0002547300000000 ]  - [   0.0003337100000000, -0.0001181200000000,  0.0002547300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002496700000000 ]  - [  -0.0000857600000000,  0.0000000000000000,  0.0001343600000000 ]  - [   0.0000857600000000,  0.0000000000000000,  0.0001343600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0553320300000000 ]  - [  -0.0000303800000000,  0.0000000000000000, -0.0006763200000000 ]  - [   0.0000303800000000,  0.0000000000000000, -0.0006763200000000 ]  - [   0.0000000000000000, -0.0000303800000000, -0.0006763200000000 ]  - [  -0.0000341200000000, -0.0000341200000000, -0.0000607400000000 ]  - [   0.0000341200000000, -0.0000341200000000, -0.0000607400000000 ]  - [   0.0000000000000000,  0.0000303800000000, -0.0006763200000000 ]  - [  -0.0000341200000000,  0.0000341200000000, -0.0000607400000000 ]  - [   0.0000341200000000,  0.0000341200000000, -0.0000607400000000 ]  - [   0.0012029300000000,  0.0012029300000000, -0.0001087900000000 ]  - [  -0.0012029300000000,  0.0012029300000000, -0.0001087900000000 ]  - [   0.0000000000000000,  0.0001218300000000, -0.0003454200000000 ]  - [   0.0012029300000000, -0.0012029300000000, -0.0001087900000000 ]  - [  -0.0012029300000000, -0.0012029300000000, -0.0001087900000000 ]  - [   0.0000000000000000, -0.0001218300000000, -0.0003454200000000 ]  - [   0.0001218300000000,  0.0000000000000000, -0.0003454200000000 ]  - [  -0.0001218300000000,  0.0000000000000000, -0.0003454200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003012000000000 ]  - [   0.0000000000000000, -0.0058464200000000,  0.0011514100000000 ]  - [   0.0002347300000000, -0.0003920000000000, -0.0003440200000000 ]  - [  -0.0002347300000000, -0.0003920000000000, -0.0003440200000000 ]  - [   0.0000000000000000,  0.0058464200000000,  0.0011514100000000 ]  - [   0.0002347300000000,  0.0003920000000000, -0.0003440200000000 ]  - [  -0.0002347300000000,  0.0003920000000000, -0.0003440200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001682400000000 ]  - [   0.0000520700000000,  0.0000000000000000, -0.0001220000000000 ]  - [  -0.0000520700000000,  0.0000000000000000, -0.0001220000000000 ]  - [  -0.0058464200000000,  0.0000000000000000,  0.0011514100000000 ]  - [   0.0058464200000000,  0.0000000000000000,  0.0011514100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001682400000000 ]  - [  -0.0003920000000000,  0.0002347300000000, -0.0003440200000000 ]  - [   0.0003920000000000,  0.0002347300000000, -0.0003440200000000 ]  - [   0.0000000000000000,  0.0000520700000000, -0.0001220000000000 ]  - [  -0.0003920000000000, -0.0002347300000000, -0.0003440200000000 ]  - [   0.0003920000000000, -0.0002347300000000, -0.0003440200000000 ]  - [   0.0000000000000000, -0.0000520700000000, -0.0001220000000000 ]  - [   0.0000272000000000,  0.0000272000000000,  0.0012033500000000 ]  - [  -0.0000272000000000,  0.0000272000000000,  0.0012033500000000 ]  - [   0.0000000000000000, -0.0000009900000000,  0.0005625800000000 ]  - [   0.0000272000000000, -0.0000272000000000,  0.0012033500000000 ]  - [  -0.0000272000000000, -0.0000272000000000,  0.0012033500000000 ]  - [   0.0000000000000000,  0.0000009900000000,  0.0005625800000000 ]  - [  -0.0000009900000000,  0.0000000000000000,  0.0005625800000000 ]  - [   0.0000009900000000,  0.0000000000000000,  0.0005625800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004436300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0080633000000000 ]  - [   0.0004563600000000,  0.0000000000000000,  0.0001917000000000 ]  - [  -0.0004563600000000,  0.0000000000000000,  0.0001917000000000 ]  - [   0.0000000000000000,  0.0004563600000000,  0.0001917000000000 ]  - [   0.0001844400000000,  0.0001844400000000, -0.0001381900000000 ]  - [  -0.0001844400000000,  0.0001844400000000, -0.0001381900000000 ]  - [   0.0000000000000000, -0.0004563600000000,  0.0001917000000000 ]  - [   0.0001844400000000, -0.0001844400000000, -0.0001381900000000 ]  - [  -0.0001844400000000, -0.0001844400000000, -0.0001381900000000 ]  - [  -0.0010424100000000, -0.0010424100000000, -0.0015167100000000 ]  - [   0.0010424100000000, -0.0010424100000000, -0.0015167100000000 ]  - [   0.0000000000000000, -0.0001578900000000, -0.0003582200000000 ]  - [  -0.0010424100000000,  0.0010424100000000, -0.0015167100000000 ]  - [   0.0010424100000000,  0.0010424100000000, -0.0015167100000000 ]  - [   0.0000000000000000,  0.0001578900000000, -0.0003582200000000 ]  - [  -0.0001578900000000,  0.0000000000000000, -0.0003582200000000 ]  - [   0.0001578900000000,  0.0000000000000000, -0.0003582200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002460400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0304633900000000 ]  - [  -0.0019764900000000,  0.0000000000000000,  0.0006356200000000 ]  - [   0.0019764900000000,  0.0000000000000000,  0.0006356200000000 ]  - [   0.0000000000000000, -0.0019764900000000,  0.0006356200000000 ]  - [  -0.0002511200000000, -0.0002511200000000,  0.0003999700000000 ]  - [   0.0002511200000000, -0.0002511200000000,  0.0003999700000000 ]  - [   0.0000000000000000,  0.0019764900000000,  0.0006356200000000 ]  - [  -0.0002511200000000,  0.0002511200000000,  0.0003999700000000 ]  - [   0.0002511200000000,  0.0002511200000000,  0.0003999700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049029500000000 ]  - [   0.0024336800000000,  0.0000000000000000, -0.0015685800000000 ]  - [  -0.0024336800000000,  0.0000000000000000, -0.0015685800000000 ]  - [   0.0000000000000000,  0.0024336800000000, -0.0015685800000000 ]  - [   0.0009863000000000,  0.0009863000000000, -0.0023592100000000 ]  - [  -0.0009863000000000,  0.0009863000000000, -0.0023592100000000 ]  - [   0.0000000000000000, -0.0024336800000000, -0.0015685800000000 ]  - [   0.0009863000000000, -0.0009863000000000, -0.0023592100000000 ]  - [  -0.0009863000000000, -0.0009863000000000, -0.0023592100000000 ]  - [   0.0008282700000000,  0.0008282700000000,  0.0050387500000000 ]  - [  -0.0008282700000000,  0.0008282700000000,  0.0050387500000000 ]  - [   0.0000000000000000,  0.0017317600000000,  0.0020704500000000 ]  - [   0.0008282700000000, -0.0008282700000000,  0.0050387500000000 ]  - [  -0.0008282700000000, -0.0008282700000000,  0.0050387500000000 ]  - [   0.0000000000000000, -0.0017317600000000,  0.0020704500000000 ]  - [   0.0017317600000000,  0.0000000000000000,  0.0020704500000000 ]  - [  -0.0017317600000000,  0.0000000000000000,  0.0020704500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005964200000000 ]  - [   0.0016280300000000,  0.0016280300000000, -0.0033233400000000 ]  - [  -0.0016280300000000,  0.0016280300000000, -0.0033233400000000 ]  - [   0.0000000000000000,  0.0018122400000000, -0.0018452300000000 ]  - [   0.0016280300000000, -0.0016280300000000, -0.0033233400000000 ]  - [  -0.0016280300000000, -0.0016280300000000, -0.0033233400000000 ]  - [   0.0000000000000000, -0.0018122400000000, -0.0018452300000000 ]  - [   0.0018122400000000,  0.0000000000000000, -0.0018452300000000 ]  - [  -0.0018122400000000,  0.0000000000000000, -0.0018452300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004488000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015284100000000 ]  - [   0.0017415300000000,  0.0000000000000000,  0.0010684000000000 ]  - [  -0.0017415300000000,  0.0000000000000000,  0.0010684000000000 ]  - [   0.0000000000000000,  0.0017415300000000,  0.0010684000000000 ]  - [   0.0008148100000000,  0.0008148100000000,  0.0021306000000000 ]  - [  -0.0008148100000000,  0.0008148100000000,  0.0021306000000000 ]  - [   0.0000000000000000, -0.0017415300000000,  0.0010684000000000 ]  - [   0.0008148100000000, -0.0008148100000000,  0.0021306000000000 ]  - [  -0.0008148100000000, -0.0008148100000000,  0.0021306000000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0011936900000000,  0.0000000000000000, -0.0013284500000000 ]  - [   0.0011936900000000,  0.0000000000000000, -0.0013284500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002494200000000 ]  - [  -0.0001072700000000,  0.0003212000000000, -0.0002545300000000 ]  - [   0.0001072700000000,  0.0003212000000000, -0.0002545300000000 ]  - [   0.0000000000000000,  0.0000520900000000, -0.0001338900000000 ]  - [  -0.0001072700000000, -0.0003212000000000, -0.0002545300000000 ]  - [   0.0001072700000000, -0.0003212000000000, -0.0002545300000000 ]  - [   0.0000000000000000, -0.0000520900000000, -0.0001338900000000 ]  - [   0.0000000000000000, -0.0011936900000000, -0.0013284500000000 ]  - [   0.0003212000000000, -0.0001072700000000, -0.0002545300000000 ]  - [  -0.0003212000000000, -0.0001072700000000, -0.0002545300000000 ]  - [   0.0000000000000000,  0.0011936900000000, -0.0013284500000000 ]  - [   0.0003212000000000,  0.0001072700000000, -0.0002545300000000 ]  - [  -0.0003212000000000,  0.0001072700000000, -0.0002545300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002494200000000 ]  - [   0.0000520900000000,  0.0000000000000000, -0.0001338900000000 ]  - [  -0.0000520900000000,  0.0000000000000000, -0.0001338900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0541199600000000 ]  - [  -0.0000088500000000,  0.0000000000000000,  0.0011467300000000 ]  - [   0.0000088500000000,  0.0000000000000000,  0.0011467300000000 ]  - [   0.0000000000000000, -0.0000088500000000,  0.0011467300000000 ]  - [   0.0000285000000000,  0.0000285000000000,  0.0005301800000000 ]  - [  -0.0000285000000000,  0.0000285000000000,  0.0005301800000000 ]  - [   0.0000000000000000,  0.0000088500000000,  0.0011467300000000 ]  - [   0.0000285000000000, -0.0000285000000000,  0.0005301800000000 ]  - [  -0.0000285000000000, -0.0000285000000000,  0.0005301800000000 ]  - [  -0.0012099700000000, -0.0012099700000000, -0.0003408900000000 ]  - [   0.0012099700000000, -0.0012099700000000, -0.0003408900000000 ]  - [   0.0000000000000000, -0.0001540400000000, -0.0001189900000000 ]  - [  -0.0012099700000000,  0.0012099700000000, -0.0003408900000000 ]  - [   0.0012099700000000,  0.0012099700000000, -0.0003408900000000 ]  - [   0.0000000000000000,  0.0001540400000000, -0.0001189900000000 ]  - [  -0.0001540400000000,  0.0000000000000000, -0.0001189900000000 ]  - [   0.0001540400000000,  0.0000000000000000, -0.0001189900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001759800000000 ]  - [   0.0000000000000000,  0.0057548300000000, -0.0011693100000000 ]  - [  -0.0002225100000000,  0.0003724400000000,  0.0003365100000000 ]  - [   0.0002225100000000,  0.0003724400000000,  0.0003365100000000 ]  - [   0.0000000000000000, -0.0057548300000000, -0.0011693100000000 ]  - [  -0.0002225100000000, -0.0003724400000000,  0.0003365100000000 ]  - [   0.0002225100000000, -0.0003724400000000,  0.0003365100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001647900000000 ]  - [  -0.0000601700000000,  0.0000000000000000,  0.0001197000000000 ]  - [   0.0000601700000000,  0.0000000000000000,  0.0001197000000000 ]  - [   0.0057548300000000,  0.0000000000000000, -0.0011693100000000 ]  - [  -0.0057548300000000,  0.0000000000000000, -0.0011693100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001647900000000 ]  - [   0.0003724400000000, -0.0002225100000000,  0.0003365100000000 ]  - [  -0.0003724400000000, -0.0002225100000000,  0.0003365100000000 ]  - [   0.0000000000000000, -0.0000601700000000,  0.0001197000000000 ]  - [   0.0003724400000000,  0.0002225100000000,  0.0003365100000000 ]  - [  -0.0003724400000000,  0.0002225100000000,  0.0003365100000000 ]  - [   0.0000000000000000,  0.0000601700000000,  0.0001197000000000 ]  - [  -0.0000298000000000, -0.0000298000000000, -0.0007402700000000 ]  - [   0.0000298000000000, -0.0000298000000000, -0.0007402700000000 ]  - [   0.0000000000000000, -0.0000326300000000, -0.0000980100000000 ]  - [  -0.0000298000000000,  0.0000298000000000, -0.0007402700000000 ]  - [   0.0000298000000000,  0.0000298000000000, -0.0007402700000000 ]  - [   0.0000000000000000,  0.0000326300000000, -0.0000980100000000 ]  - [  -0.0000326300000000,  0.0000000000000000, -0.0000980100000000 ]  - [   0.0000326300000000,  0.0000000000000000, -0.0000980100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000304800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084271900000000 ]  - [  -0.0004828800000000,  0.0000000000000000, -0.0006686800000000 ]  - [   0.0004828800000000,  0.0000000000000000, -0.0006686800000000 ]  - [   0.0000000000000000, -0.0004828800000000, -0.0006686800000000 ]  - [  -0.0001807300000000, -0.0001807300000000, -0.0003356400000000 ]  - [   0.0001807300000000, -0.0001807300000000, -0.0003356400000000 ]  - [   0.0000000000000000,  0.0004828800000000, -0.0006686800000000 ]  - [  -0.0001807300000000,  0.0001807300000000, -0.0003356400000000 ]  - [   0.0001807300000000,  0.0001807300000000, -0.0003356400000000 ]  - [   0.0009713000000000,  0.0009713000000000,  0.0015128300000000 ]  - [  -0.0009713000000000,  0.0009713000000000,  0.0015128300000000 ]  - [   0.0000000000000000,  0.0001106500000000,  0.0003510800000000 ]  - [   0.0009713000000000, -0.0009713000000000,  0.0015128300000000 ]  - [  -0.0009713000000000, -0.0009713000000000,  0.0015128300000000 ]  - [   0.0000000000000000, -0.0001106500000000,  0.0003510800000000 ]  - [   0.0001106500000000,  0.0000000000000000,  0.0003510800000000 ]  - [  -0.0001106500000000,  0.0000000000000000,  0.0003510800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002398000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0282668500000000 ]  - [   0.0019217200000000,  0.0000000000000000, -0.0006209300000000 ]  - [  -0.0019217200000000,  0.0000000000000000, -0.0006209300000000 ]  - [   0.0000000000000000,  0.0019217200000000, -0.0006209300000000 ]  - [   0.0001693200000000,  0.0001693200000000, -0.0003929000000000 ]  - [  -0.0001693200000000,  0.0001693200000000, -0.0003929000000000 ]  - [   0.0000000000000000, -0.0019217200000000, -0.0006209300000000 ]  - [   0.0001693200000000, -0.0001693200000000, -0.0003929000000000 ]  - [  -0.0001693200000000, -0.0001693200000000, -0.0003929000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060666000000000 ]  - [   0.0009621500000000,  0.0000000000000000, -0.0017878000000000 ]  - [  -0.0009621500000000,  0.0000000000000000, -0.0017878000000000 ]  - [   0.0000000000000000,  0.0009621500000000, -0.0017878000000000 ]  - [   0.0006377900000000,  0.0006377900000000, -0.0025927300000000 ]  - [  -0.0006377900000000,  0.0006377900000000, -0.0025927300000000 ]  - [   0.0000000000000000, -0.0009621500000000, -0.0017878000000000 ]  - [   0.0006377900000000, -0.0006377900000000, -0.0025927300000000 ]  - [  -0.0006377900000000, -0.0006377900000000, -0.0025927300000000 ]  - [   0.0007806500000000,  0.0007806500000000, -0.0000882800000000 ]  - [  -0.0007806500000000,  0.0007806500000000, -0.0000882800000000 ]  - [   0.0000000000000000,  0.0016690700000000,  0.0012819900000000 ]  - [   0.0007806500000000, -0.0007806500000000, -0.0000882800000000 ]  - [  -0.0007806500000000, -0.0007806500000000, -0.0000882800000000 ]  - [   0.0000000000000000, -0.0016690700000000,  0.0012819900000000 ]  - [   0.0016690700000000,  0.0000000000000000,  0.0012819900000000 ]  - [  -0.0016690700000000,  0.0000000000000000,  0.0012819900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001275400000000 ]  - [   0.0000047500000000,  0.0000047500000000, -0.0016253100000000 ]  - [  -0.0000047500000000,  0.0000047500000000, -0.0016253100000000 ]  - [   0.0000000000000000,  0.0015871800000000, -0.0015034900000000 ]  - [   0.0000047500000000, -0.0000047500000000, -0.0016253100000000 ]  - [  -0.0000047500000000, -0.0000047500000000, -0.0016253100000000 ]  - [   0.0000000000000000, -0.0015871800000000, -0.0015034900000000 ]  - [   0.0015871800000000,  0.0000000000000000, -0.0015034900000000 ]  - [  -0.0015871800000000,  0.0000000000000000, -0.0015034900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002714800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022475000000000 ]  - [   0.0016552300000000,  0.0000000000000000,  0.0022784400000000 ]  - [  -0.0016552300000000,  0.0000000000000000,  0.0022784400000000 ]  - [   0.0000000000000000,  0.0016552300000000,  0.0022784400000000 ]  - [   0.0008099200000000,  0.0008099200000000,  0.0028136800000000 ]  - [  -0.0008099200000000,  0.0008099200000000,  0.0028136800000000 ]  - [   0.0000000000000000, -0.0016552300000000,  0.0022784400000000 ]  - [   0.0008099200000000, -0.0008099200000000,  0.0028136800000000 ]  - [  -0.0008099200000000, -0.0008099200000000,  0.0028136800000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0061854800000000, -0.0000746200000000,  0.0000000000000000 ]  - [  -0.0020036600000000, -0.0020945900000000,  0.0000000000000000 ]  - [  -0.0020210800000000,  0.0020108200000000,  0.0000000000000000 ]  - [   0.0005250600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003066200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002431200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0061854800000000,  0.0000746200000000,  0.0000000000000000 ]  - [  -0.0020036600000000,  0.0020945900000000,  0.0000000000000000 ]  - [  -0.0020210800000000, -0.0020108200000000,  0.0000000000000000 ]  - [   0.0327785500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0048060900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0303851800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005038900000000, -0.0009049800000000,  0.0000000000000000 ]  - [  -0.0011020600000000, -0.0000364000000000,  0.0000000000000000 ]  - [   0.0005671400000000,  0.0009264300000000,  0.0000000000000000 ]  - [   0.0005038900000000,  0.0009049800000000,  0.0000000000000000 ]  - [  -0.0011020600000000,  0.0000364000000000,  0.0000000000000000 ]  - [   0.0005671400000000, -0.0009264300000000,  0.0000000000000000 ]  - [   0.0002166400000000, -0.0000689700000000, -0.0007700900000000 ]  - [  -0.0004639000000000,  0.0000289800000000,  0.0002271100000000 ]  - [   0.0002719300000000,  0.0000068800000000,  0.0012445900000000 ]  - [   0.0001860600000000,  0.0000000000000000,  0.0001009400000000 ]  - [  -0.0003114200000000,  0.0000000000000000,  0.0002345300000000 ]  - [   0.0001229000000000,  0.0000000000000000,  0.0003674700000000 ]  - [   0.0002166400000000,  0.0000689700000000, -0.0007700900000000 ]  - [  -0.0004639000000000, -0.0000289800000000,  0.0002271100000000 ]  - [   0.0002719300000000, -0.0000068800000000,  0.0012445900000000 ]  - [   0.0074844300000000,  0.0000000000000000, -0.0003024300000000 ]  - [  -0.0022452600000000,  0.0000000000000000, -0.0021787400000000 ]  - [  -0.0021785700000000,  0.0000000000000000,  0.0017121700000000 ]  - [   0.0013259500000000, -0.0000291700000000, -0.0002288200000000 ]  - [  -0.0006633500000000, -0.0004994800000000, -0.0004505600000000 ]  - [  -0.0007293100000000,  0.0005545900000000, -0.0000277300000000 ]  - [   0.0013259500000000,  0.0000291700000000, -0.0002288200000000 ]  - [  -0.0006633500000000,  0.0004994800000000, -0.0004505600000000 ]  - [  -0.0007293100000000, -0.0005545900000000, -0.0000277300000000 ]  - [   0.0002946400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005215100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002193300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001406300000000, -0.0001039300000000,  0.0000000000000000 ]  - [  -0.0003044200000000,  0.0000007600000000,  0.0000000000000000 ]  - [   0.0001607100000000,  0.0001767900000000,  0.0000000000000000 ]  - [   0.0001406300000000,  0.0001039300000000,  0.0000000000000000 ]  - [  -0.0003044200000000, -0.0000007600000000,  0.0000000000000000 ]  - [   0.0001607100000000, -0.0001767900000000,  0.0000000000000000 ]  - [   0.0005425100000000,  0.0000349100000000,  0.0000000000000000 ]  - [  -0.0002348200000000, -0.0001221600000000,  0.0000000000000000 ]  - [  -0.0003090400000000,  0.0000975600000000,  0.0000000000000000 ]  - [   0.0002598700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001297500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001323500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005425100000000, -0.0000349100000000,  0.0000000000000000 ]  - [  -0.0002348200000000,  0.0001221600000000,  0.0000000000000000 ]  - [  -0.0003090400000000, -0.0000975600000000,  0.0000000000000000 ]  - [   0.0074844300000000,  0.0000000000000000,  0.0003024300000000 ]  - [  -0.0022452600000000,  0.0000000000000000,  0.0021787400000000 ]  - [  -0.0021785700000000,  0.0000000000000000, -0.0017121700000000 ]  - [   0.0013259500000000, -0.0000291700000000,  0.0002288200000000 ]  - [  -0.0006633500000000, -0.0004994800000000,  0.0004505600000000 ]  - [  -0.0007293100000000,  0.0005545900000000,  0.0000277300000000 ]  - [   0.0013259500000000,  0.0000291700000000,  0.0002288200000000 ]  - [  -0.0006633500000000,  0.0004994800000000,  0.0004505600000000 ]  - [  -0.0007293100000000, -0.0005545900000000,  0.0000277300000000 ]  - [   0.0002166400000000, -0.0000689700000000,  0.0007700900000000 ]  - [  -0.0004639000000000,  0.0000289800000000, -0.0002271100000000 ]  - [   0.0002719300000000,  0.0000068800000000, -0.0012445900000000 ]  - [   0.0001860600000000,  0.0000000000000000, -0.0001009400000000 ]  - [  -0.0003114200000000,  0.0000000000000000, -0.0002345300000000 ]  - [   0.0001229000000000,  0.0000000000000000, -0.0003674700000000 ]  - [   0.0002166400000000,  0.0000689700000000,  0.0007700900000000 ]  - [  -0.0004639000000000, -0.0000289800000000, -0.0002271100000000 ]  - [   0.0002719300000000, -0.0000068800000000, -0.0012445900000000 ]  - [  -0.1055396400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0125822700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0122903000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0024009300000000,  0.0000837200000000,  0.0000000000000000 ]  - [   0.0012180700000000,  0.0014812200000000,  0.0000000000000000 ]  - [   0.0011258900000000, -0.0013737500000000,  0.0000000000000000 ]  - [  -0.0024009300000000, -0.0000837200000000,  0.0000000000000000 ]  - [   0.0012180700000000, -0.0014812200000000,  0.0000000000000000 ]  - [   0.0011258900000000,  0.0013737500000000,  0.0000000000000000 ]  - [  -0.0004346600000000,  0.0000879700000000,  0.0000000000000000 ]  - [   0.0007588500000000, -0.0001041300000000,  0.0000000000000000 ]  - [  -0.0003261000000000, -0.0001847400000000,  0.0000000000000000 ]  - [  -0.0003578300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004990600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001446600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004346600000000, -0.0000879700000000,  0.0000000000000000 ]  - [   0.0007588500000000,  0.0001041300000000,  0.0000000000000000 ]  - [  -0.0003261000000000,  0.0001847400000000,  0.0000000000000000 ]  - [   0.0041082200000000,  0.0074768600000000,  0.0036663500000000 ]  - [   0.0013875700000000,  0.0001758800000000, -0.0026382900000000 ]  - [  -0.0026092800000000, -0.0007161000000000, -0.0043427200000000 ]  - [  -0.0000016000000000,  0.0000000000000000, -0.0023519500000000 ]  - [   0.0005733100000000,  0.0000000000000000, -0.0033606100000000 ]  - [  -0.0005721300000000,  0.0000000000000000, -0.0026660600000000 ]  - [   0.0041082200000000, -0.0074768600000000,  0.0036663500000000 ]  - [   0.0013875700000000, -0.0001758800000000, -0.0026382900000000 ]  - [  -0.0026092800000000,  0.0007161000000000, -0.0043427200000000 ]  - [  -0.0009071600000000,  0.0000000000000000,  0.0033542800000000 ]  - [   0.0005635100000000,  0.0000000000000000,  0.0036015300000000 ]  - [   0.0007099300000000,  0.0000000000000000,  0.0019137400000000 ]  - [  -0.0005633200000000, -0.0002562700000000,  0.0025441600000000 ]  - [  -0.0030924600000000, -0.0032009300000000,  0.0005899500000000 ]  - [   0.0036529700000000, -0.0035390800000000,  0.0001013200000000 ]  - [  -0.0005633200000000,  0.0002562700000000,  0.0025441600000000 ]  - [  -0.0030924600000000,  0.0032009300000000,  0.0005899500000000 ]  - [   0.0036529700000000,  0.0035390800000000,  0.0001013200000000 ]  - [  -0.0009071600000000,  0.0000000000000000, -0.0033542800000000 ]  - [   0.0005635100000000,  0.0000000000000000, -0.0036015300000000 ]  - [   0.0007099300000000,  0.0000000000000000, -0.0019137400000000 ]  - [  -0.0005633200000000, -0.0002562700000000, -0.0025441600000000 ]  - [  -0.0030924600000000, -0.0032009300000000, -0.0005899500000000 ]  - [   0.0036529700000000, -0.0035390800000000, -0.0001013200000000 ]  - [  -0.0005633200000000,  0.0002562700000000, -0.0025441600000000 ]  - [  -0.0030924600000000,  0.0032009300000000, -0.0005899500000000 ]  - [   0.0036529700000000,  0.0035390800000000, -0.0001013200000000 ]  - [   0.0041082200000000,  0.0074768600000000, -0.0036663500000000 ]  - [   0.0013875700000000,  0.0001758800000000,  0.0026382900000000 ]  - [  -0.0026092800000000, -0.0007161000000000,  0.0043427200000000 ]  - [  -0.0000016000000000,  0.0000000000000000,  0.0023519500000000 ]  - [   0.0005733100000000,  0.0000000000000000,  0.0033606100000000 ]  - [  -0.0005721300000000,  0.0000000000000000,  0.0026660600000000 ]  - [   0.0041082200000000, -0.0074768600000000, -0.0036663500000000 ]  - [   0.0013875700000000, -0.0001758800000000,  0.0026382900000000 ]  - [  -0.0026092800000000,  0.0007161000000000,  0.0043427200000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000742400000000,  0.0065493900000000 ]  - [   0.0000083400000000, -0.0000305200000000,  0.0013358600000000 ]  - [  -0.0000083400000000, -0.0000305200000000,  0.0013358600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006198300000000 ]  - [  -0.0000309400000000,  0.0000000000000000,  0.0004847900000000 ]  - [   0.0000309400000000,  0.0000000000000000,  0.0004847900000000 ]  - [   0.0000000000000000,  0.0000742400000000,  0.0065493900000000 ]  - [   0.0000083400000000,  0.0000305200000000,  0.0013358600000000 ]  - [  -0.0000083400000000,  0.0000305200000000,  0.0013358600000000 ]  - [  -0.0000742400000000,  0.0000000000000000,  0.0065493900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006198300000000 ]  - [   0.0000742400000000,  0.0000000000000000,  0.0065493900000000 ]  - [  -0.0000305200000000,  0.0000083400000000,  0.0013358600000000 ]  - [   0.0000000000000000, -0.0000309400000000,  0.0004847900000000 ]  - [   0.0000305200000000,  0.0000083400000000,  0.0013358600000000 ]  - [  -0.0000305200000000, -0.0000083400000000,  0.0013358600000000 ]  - [   0.0000000000000000,  0.0000309400000000,  0.0004847900000000 ]  - [   0.0000305200000000, -0.0000083400000000,  0.0013358600000000 ]  - [  -0.0005339200000000, -0.0005339200000000, -0.0012652200000000 ]  - [   0.0000000000000000, -0.0000652100000000, -0.0001140900000000 ]  - [   0.0005339200000000, -0.0005339200000000, -0.0012652200000000 ]  - [  -0.0000652100000000,  0.0000000000000000, -0.0001140900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000047800000000 ]  - [   0.0000652100000000,  0.0000000000000000, -0.0001140900000000 ]  - [  -0.0005339200000000,  0.0005339200000000, -0.0012652200000000 ]  - [   0.0000000000000000,  0.0000652100000000, -0.0001140900000000 ]  - [   0.0005339200000000,  0.0005339200000000, -0.0012652200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0302872100000000 ]  - [  -0.0010679500000000,  0.0000000000000000,  0.0004231900000000 ]  - [   0.0010679500000000,  0.0000000000000000,  0.0004231900000000 ]  - [   0.0000000000000000, -0.0010679500000000,  0.0004231900000000 ]  - [  -0.0005374000000000, -0.0005374000000000,  0.0001779200000000 ]  - [   0.0005374000000000, -0.0005374000000000,  0.0001779200000000 ]  - [   0.0000000000000000,  0.0010679500000000,  0.0004231900000000 ]  - [  -0.0005374000000000,  0.0005374000000000,  0.0001779200000000 ]  - [   0.0005374000000000,  0.0005374000000000,  0.0001779200000000 ]  - [   0.0000313100000000,  0.0000000000000000, -0.0013877800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005532100000000 ]  - [  -0.0000313100000000,  0.0000000000000000, -0.0013877800000000 ]  - [  -0.0000077400000000,  0.0000331400000000, -0.0005583500000000 ]  - [   0.0000000000000000,  0.0000026700000000, -0.0003709700000000 ]  - [   0.0000077400000000,  0.0000331400000000, -0.0005583500000000 ]  - [  -0.0000077400000000, -0.0000331400000000, -0.0005583500000000 ]  - [   0.0000000000000000, -0.0000026700000000, -0.0003709700000000 ]  - [   0.0000077400000000, -0.0000331400000000, -0.0005583500000000 ]  - [   0.0000000000000000,  0.0000313100000000, -0.0013877800000000 ]  - [   0.0000331400000000, -0.0000077400000000, -0.0005583500000000 ]  - [  -0.0000331400000000, -0.0000077400000000, -0.0005583500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005532100000000 ]  - [   0.0000026700000000,  0.0000000000000000, -0.0003709700000000 ]  - [  -0.0000026700000000,  0.0000000000000000, -0.0003709700000000 ]  - [   0.0000000000000000, -0.0000313100000000, -0.0013877800000000 ]  - [   0.0000331400000000,  0.0000077400000000, -0.0005583500000000 ]  - [  -0.0000331400000000,  0.0000077400000000, -0.0005583500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0284735600000000 ]  - [   0.0009985000000000,  0.0000000000000000,  0.0008630500000000 ]  - [  -0.0009985000000000,  0.0000000000000000,  0.0008630500000000 ]  - [   0.0000000000000000,  0.0009985000000000,  0.0008630500000000 ]  - [   0.0005971000000000,  0.0005971000000000,  0.0006495700000000 ]  - [  -0.0005971000000000,  0.0005971000000000,  0.0006495700000000 ]  - [   0.0000000000000000, -0.0009985000000000,  0.0008630500000000 ]  - [   0.0005971000000000, -0.0005971000000000,  0.0006495700000000 ]  - [  -0.0005971000000000, -0.0005971000000000,  0.0006495700000000 ]  - [   0.0004693600000000,  0.0004693600000000, -0.0017370200000000 ]  - [   0.0000000000000000,  0.0001328800000000, -0.0005730200000000 ]  - [  -0.0004693600000000,  0.0004693600000000, -0.0017370200000000 ]  - [   0.0001328800000000,  0.0000000000000000, -0.0005730200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004616500000000 ]  - [  -0.0001328800000000,  0.0000000000000000, -0.0005730200000000 ]  - [   0.0004693600000000, -0.0004693600000000, -0.0017370200000000 ]  - [   0.0000000000000000, -0.0001328800000000, -0.0005730200000000 ]  - [  -0.0004693600000000, -0.0004693600000000, -0.0017370200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0943509300000000 ]  - [   0.0000925900000000,  0.0000000000000000, -0.0026268300000000 ]  - [  -0.0000925900000000,  0.0000000000000000, -0.0026268300000000 ]  - [   0.0000000000000000,  0.0000925900000000, -0.0026268300000000 ]  - [   0.0000476100000000,  0.0000476100000000, -0.0016036300000000 ]  - [  -0.0000476100000000,  0.0000476100000000, -0.0016036300000000 ]  - [   0.0000000000000000, -0.0000925900000000, -0.0026268300000000 ]  - [   0.0000476100000000, -0.0000476100000000, -0.0016036300000000 ]  - [  -0.0000476100000000, -0.0000476100000000, -0.0016036300000000 ]  - [  -0.0000455400000000, -0.0000455400000000,  0.0023558700000000 ]  - [   0.0000000000000000, -0.0001126000000000,  0.0009393100000000 ]  - [   0.0000455400000000, -0.0000455400000000,  0.0023558700000000 ]  - [  -0.0001126000000000,  0.0000000000000000,  0.0009393100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007213900000000 ]  - [   0.0001126000000000,  0.0000000000000000,  0.0009393100000000 ]  - [  -0.0000455400000000,  0.0000455400000000,  0.0023558700000000 ]  - [   0.0000000000000000,  0.0001126000000000,  0.0009393100000000 ]  - [   0.0000455400000000,  0.0000455400000000,  0.0023558700000000 ]  - [   0.0075183900000000,  0.0075183900000000,  0.0000732800000000 ]  - [   0.0000000000000000, -0.0000398800000000, -0.0033162100000000 ]  - [  -0.0075183900000000,  0.0075183900000000,  0.0000732800000000 ]  - [  -0.0000398800000000,  0.0000000000000000, -0.0033162100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035800600000000 ]  - [   0.0000398800000000,  0.0000000000000000, -0.0033162100000000 ]  - [   0.0075183900000000, -0.0075183900000000,  0.0000732800000000 ]  - [   0.0000000000000000,  0.0000398800000000, -0.0033162100000000 ]  - [  -0.0075183900000000, -0.0075183900000000,  0.0000732800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0081138700000000 ]  - [   0.0006560600000000,  0.0000000000000000,  0.0037622800000000 ]  - [  -0.0006560600000000,  0.0000000000000000,  0.0037622800000000 ]  - [   0.0000000000000000,  0.0006560600000000,  0.0037622800000000 ]  - [  -0.0031757200000000, -0.0031757200000000,  0.0008067100000000 ]  - [   0.0031757200000000, -0.0031757200000000,  0.0008067100000000 ]  - [   0.0000000000000000, -0.0006560600000000,  0.0037622800000000 ]  - [  -0.0031757200000000,  0.0031757200000000,  0.0008067100000000 ]  - [   0.0031757200000000,  0.0031757200000000,  0.0008067100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013602600000000 ]  - [  -0.0003837200000000,  0.0000000000000000, -0.0022099400000000 ]  - [   0.0003837200000000,  0.0000000000000000, -0.0022099400000000 ]  - [   0.0000000000000000, -0.0003837200000000, -0.0022099400000000 ]  - [  -0.0035679700000000, -0.0035679700000000,  0.0001142500000000 ]  - [   0.0035679700000000, -0.0035679700000000,  0.0001142500000000 ]  - [   0.0000000000000000,  0.0003837200000000, -0.0022099400000000 ]  - [  -0.0035679700000000,  0.0035679700000000,  0.0001142500000000 ]  - [   0.0035679700000000,  0.0035679700000000,  0.0001142500000000 ]  - [  -0.0007566900000000, -0.0007566900000000,  0.0007936100000000 ]  - [   0.0000000000000000,  0.0001798000000000,  0.0021938500000000 ]  - [   0.0007566900000000, -0.0007566900000000,  0.0007936100000000 ]  - [   0.0001798000000000,  0.0000000000000000,  0.0021938500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031488200000000 ]  - [  -0.0001798000000000,  0.0000000000000000,  0.0021938500000000 ]  - [  -0.0007566900000000,  0.0007566900000000,  0.0007936100000000 ]  - [   0.0000000000000000, -0.0001798000000000,  0.0021938500000000 ]  - [   0.0007566900000000,  0.0007566900000000,  0.0007936100000000 ]- atom:   91  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0012616000000000,  0.0000000000000000, -0.0006125300000000 ]  - [   0.0013595000000000,  0.0000000000000000,  0.0005468200000000 ]  - [  -0.0009307500000000,  0.0000000000000000,  0.0000096800000000 ]  - [   0.0002126400000000,  0.0007816000000000, -0.0002164300000000 ]  - [   0.0002003600000000, -0.0008053000000000,  0.0002262900000000 ]  - [  -0.0003370300000000, -0.0000203900000000,  0.0000058800000000 ]  - [   0.0002126400000000, -0.0007816000000000, -0.0002164300000000 ]  - [   0.0002003600000000,  0.0008053000000000,  0.0002262900000000 ]  - [  -0.0003370300000000,  0.0000203900000000,  0.0000058800000000 ]  - [   0.0028066700000000, -0.0000034400000000,  0.0000024000000000 ]  - [  -0.0009817300000000,  0.0004209600000000,  0.0004105700000000 ]  - [  -0.0009663400000000, -0.0003957700000000, -0.0003947500000000 ]  - [   0.0028066700000000,  0.0000034400000000,  0.0000024000000000 ]  - [  -0.0009817300000000, -0.0004209600000000,  0.0004105700000000 ]  - [  -0.0009663400000000,  0.0003957700000000, -0.0003947500000000 ]  - [   0.0003710500000000,  0.0000000000000000,  0.0000050400000000 ]  - [  -0.0001648600000000,  0.0000000000000000,  0.0001048600000000 ]  - [  -0.0001367400000000,  0.0000000000000000, -0.0000946200000000 ]  - [   0.0016261100000000,  0.0000000000000000,  0.0002447200000000 ]  - [  -0.0005910400000000,  0.0000000000000000, -0.0005192000000000 ]  - [  -0.0005603000000000,  0.0000000000000000,  0.0009705400000000 ]  - [   0.0005627800000000, -0.0000145900000000,  0.0002359000000000 ]  - [  -0.0002466800000000, -0.0001643800000000,  0.0000615900000000 ]  - [  -0.0002495100000000,  0.0001655400000000,  0.0004104200000000 ]  - [   0.0005627800000000,  0.0000145900000000,  0.0002359000000000 ]  - [  -0.0002466800000000,  0.0001643800000000,  0.0000615900000000 ]  - [  -0.0002495100000000, -0.0001655400000000,  0.0004104200000000 ]  - [   0.0007411000000000, -0.0010466300000000, -0.0001999700000000 ]  - [   0.0008142000000000,  0.0009873800000000, -0.0002534600000000 ]  - [  -0.0009632800000000, -0.0000075400000000, -0.0002254700000000 ]  - [   0.0007411000000000,  0.0010466300000000, -0.0001999700000000 ]  - [   0.0008142000000000, -0.0009873800000000, -0.0002534600000000 ]  - [  -0.0009632800000000,  0.0000075400000000, -0.0002254700000000 ]  - [   0.0002656000000000,  0.0000000000000000, -0.0001927500000000 ]  - [   0.0002969700000000,  0.0000000000000000, -0.0002614100000000 ]  - [  -0.0004828600000000,  0.0000000000000000, -0.0002308700000000 ]  - [   0.0005278800000000, -0.0000186300000000,  0.0000034500000000 ]  - [  -0.0002321200000000,  0.0000896000000000, -0.0001800800000000 ]  - [  -0.0002460300000000, -0.0001057700000000,  0.0001851400000000 ]  - [   0.0005278800000000,  0.0000186300000000,  0.0000034500000000 ]  - [  -0.0002321200000000, -0.0000896000000000, -0.0001800800000000 ]  - [  -0.0002460300000000,  0.0001057700000000,  0.0001851400000000 ]  - [   0.0001804000000000,  0.0000000000000000,  0.0000030800000000 ]  - [  -0.0000588600000000,  0.0000000000000000, -0.0000338500000000 ]  - [  -0.0000490200000000,  0.0000000000000000,  0.0000405200000000 ]  - [   0.0002354600000000,  0.0000000000000000,  0.0003220000000000 ]  - [   0.0002710300000000,  0.0000000000000000, -0.0003157100000000 ]  - [  -0.0004453300000000,  0.0000000000000000,  0.0000018500000000 ]  - [   0.0001534500000000,  0.0002055000000000,  0.0001851800000000 ]  - [   0.0001655600000000, -0.0001880100000000, -0.0001780200000000 ]  - [  -0.0002385000000000, -0.0000037200000000,  0.0000032700000000 ]  - [   0.0001534500000000, -0.0002055000000000,  0.0001851800000000 ]  - [   0.0001655600000000,  0.0001880100000000, -0.0001780200000000 ]  - [  -0.0002385000000000,  0.0000037200000000,  0.0000032700000000 ]  - [   0.0002208400000000, -0.0002138100000000, -0.0005774200000000 ]  - [   0.0002211200000000,  0.0002200400000000,  0.0010518900000000 ]  - [  -0.0003673600000000, -0.0000124400000000,  0.0002397000000000 ]  - [   0.0002208400000000,  0.0002138100000000, -0.0005774200000000 ]  - [   0.0002211200000000, -0.0002200400000000,  0.0010518900000000 ]  - [  -0.0003673600000000,  0.0000124400000000,  0.0002397000000000 ]  - [   0.0001337200000000,  0.0000000000000000,  0.0001179500000000 ]  - [   0.0001640100000000,  0.0000000000000000,  0.0003513100000000 ]  - [  -0.0002241800000000,  0.0000000000000000,  0.0002435200000000 ]  - [   0.0002023000000000,  0.0000000000000000, -0.0002341600000000 ]  - [  -0.0000807100000000,  0.0000000000000000, -0.0001818800000000 ]  - [  -0.0000499300000000,  0.0000000000000000, -0.0002771600000000 ]  - [   0.0001864400000000, -0.0000142600000000, -0.0002272700000000 ]  - [  -0.0000569100000000, -0.0000109300000000, -0.0002237800000000 ]  - [  -0.0000571100000000,  0.0000130800000000, -0.0002320900000000 ]  - [   0.0001864400000000,  0.0000142600000000, -0.0002272700000000 ]  - [  -0.0000569100000000,  0.0000109300000000, -0.0002237800000000 ]  - [  -0.0000571100000000, -0.0000130800000000, -0.0002320900000000 ]  - [   0.0007799400000000,  0.0040237800000000,  0.0041262700000000 ]  - [   0.0008461300000000, -0.0041412000000000, -0.0041492500000000 ]  - [   0.0014925200000000, -0.0000336100000000, -0.0000031600000000 ]  - [   0.0007799400000000, -0.0040237800000000,  0.0041262700000000 ]  - [   0.0008461300000000,  0.0041412000000000, -0.0041492500000000 ]  - [   0.0014925200000000,  0.0000336100000000, -0.0000031600000000 ]  - [  -0.0002604400000000,  0.0000000000000000,  0.0001178200000000 ]  - [  -0.0002209900000000,  0.0000000000000000, -0.0001139200000000 ]  - [   0.0005597000000000,  0.0000000000000000,  0.0000012700000000 ]  - [  -0.0009270300000000,  0.0000000000000000, -0.0000030800000000 ]  - [   0.0004709900000000,  0.0000000000000000,  0.0005130400000000 ]  - [   0.0005200700000000,  0.0000000000000000, -0.0004940600000000 ]  - [  -0.0006098200000000, -0.0000272400000000,  0.0000042300000000 ]  - [   0.0003065600000000,  0.0001122600000000,  0.0002051700000000 ]  - [   0.0003798200000000, -0.0001944500000000, -0.0001915000000000 ]  - [  -0.0006098200000000,  0.0000272400000000,  0.0000042300000000 ]  - [   0.0003065600000000, -0.0001122600000000,  0.0002051700000000 ]  - [   0.0003798200000000,  0.0001944500000000, -0.0001915000000000 ]  - [  -0.0175455700000000,  0.0000000000000000, -0.0002403400000000 ]  - [   0.0031482000000000,  0.0000000000000000, -0.0028954500000000 ]  - [  -0.0002234000000000,  0.0000000000000000, -0.0004155800000000 ]  - [   0.0003660200000000,  0.0016968600000000, -0.0016567900000000 ]  - [   0.0005596100000000,  0.0004124200000000, -0.0032287700000000 ]  - [  -0.0010606700000000,  0.0012193400000000, -0.0016621200000000 ]  - [   0.0003660200000000, -0.0016968600000000, -0.0016567900000000 ]  - [   0.0005596100000000, -0.0004124200000000, -0.0032287700000000 ]  - [  -0.0010606700000000, -0.0012193400000000, -0.0016621200000000 ]  - [   0.0001378100000000,  0.0008333900000000,  0.0014864000000000 ]  - [  -0.0014932900000000,  0.0007918700000000,  0.0034268000000000 ]  - [   0.0022397100000000,  0.0016971800000000,  0.0016648900000000 ]  - [   0.0001378100000000, -0.0008333900000000,  0.0014864000000000 ]  - [  -0.0014932900000000, -0.0007918700000000,  0.0034268000000000 ]  - [   0.0022397100000000, -0.0016971800000000,  0.0016648900000000 ]  - [  -0.0000996500000000,  0.0000000000000000,  0.0024630600000000 ]  - [  -0.0034858200000000,  0.0000000000000000,  0.0004274200000000 ]  - [   0.0036712600000000,  0.0000000000000000,  0.0003466600000000 ]  - [  -0.0000931300000000, -0.0000298900000000, -0.0032200900000000 ]  - [  -0.0017147100000000,  0.0016556800000000, -0.0016676600000000 ]  - [   0.0018796600000000,  0.0016989100000000, -0.0016535300000000 ]  - [  -0.0000931300000000,  0.0000298900000000, -0.0032200900000000 ]  - [  -0.0017147100000000, -0.0016556800000000, -0.0016676600000000 ]  - [   0.0018796600000000, -0.0016989100000000, -0.0016535300000000 ]  - [  -0.0000399400000000,  0.0000000000000000, -0.0027327500000000 ]  - [  -0.0034208400000000,  0.0000000000000000, -0.0003320800000000 ]  - [   0.0035438500000000,  0.0000000000000000, -0.0003376900000000 ]  - [   0.0020850700000000,  0.0000000000000000,  0.0003499900000000 ]  - [   0.0005124400000000,  0.0000000000000000,  0.0021323100000000 ]  - [  -0.0027996200000000,  0.0000000000000000,  0.0008783600000000 ]  - [   0.0012726300000000,  0.0016990300000000,  0.0016643600000000 ]  - [   0.0002111000000000,  0.0000623900000000,  0.0030897200000000 ]  - [  -0.0014110900000000,  0.0015672300000000,  0.0018157200000000 ]  - [   0.0012726300000000, -0.0016990300000000,  0.0016643600000000 ]  - [   0.0002111000000000, -0.0000623900000000,  0.0030897200000000 ]  - [  -0.0014110900000000, -0.0015672300000000,  0.0018157200000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0007123100000000,  0.0000000000000000,  0.0012690200000000 ]  - [   0.0007123100000000,  0.0000000000000000,  0.0012690200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002518800000000 ]  - [  -0.0002228800000000,  0.0007345500000000,  0.0002417700000000 ]  - [   0.0002228800000000,  0.0007345500000000,  0.0002417700000000 ]  - [   0.0000000000000000,  0.0000962500000000,  0.0001493400000000 ]  - [  -0.0002228800000000, -0.0007345500000000,  0.0002417700000000 ]  - [   0.0002228800000000, -0.0007345500000000,  0.0002417700000000 ]  - [   0.0000000000000000, -0.0000962500000000,  0.0001493400000000 ]  - [   0.0000000000000000, -0.0007123100000000,  0.0012690200000000 ]  - [   0.0007345500000000, -0.0002228800000000,  0.0002417700000000 ]  - [  -0.0007345500000000, -0.0002228800000000,  0.0002417700000000 ]  - [   0.0000000000000000,  0.0007123100000000,  0.0012690200000000 ]  - [   0.0007345500000000,  0.0002228800000000,  0.0002417700000000 ]  - [  -0.0007345500000000,  0.0002228800000000,  0.0002417700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002518800000000 ]  - [   0.0000962500000000,  0.0000000000000000,  0.0001493400000000 ]  - [  -0.0000962500000000,  0.0000000000000000,  0.0001493400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0059667200000000 ]  - [  -0.0006598100000000,  0.0000000000000000,  0.0003679400000000 ]  - [   0.0006598100000000,  0.0000000000000000,  0.0003679400000000 ]  - [   0.0000000000000000, -0.0006598100000000,  0.0003679400000000 ]  - [  -0.0002843500000000, -0.0002843500000000,  0.0003719900000000 ]  - [   0.0002843500000000, -0.0002843500000000,  0.0003719900000000 ]  - [   0.0000000000000000,  0.0006598100000000,  0.0003679400000000 ]  - [  -0.0002843500000000,  0.0002843500000000,  0.0003719900000000 ]  - [   0.0002843500000000,  0.0002843500000000,  0.0003719900000000 ]  - [   0.0000576100000000,  0.0000576100000000,  0.0023524000000000 ]  - [  -0.0000576100000000,  0.0000576100000000,  0.0023524000000000 ]  - [   0.0000000000000000, -0.0000435700000000,  0.0001809300000000 ]  - [   0.0000576100000000, -0.0000576100000000,  0.0023524000000000 ]  - [  -0.0000576100000000, -0.0000576100000000,  0.0023524000000000 ]  - [   0.0000000000000000,  0.0000435700000000,  0.0001809300000000 ]  - [  -0.0000435700000000,  0.0000000000000000,  0.0001809300000000 ]  - [   0.0000435700000000,  0.0000000000000000,  0.0001809300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000200500000000 ]  - [   0.0000000000000000,  0.0007193100000000, -0.0009087100000000 ]  - [  -0.0002552700000000,  0.0001061500000000, -0.0003565200000000 ]  - [   0.0002552700000000,  0.0001061500000000, -0.0003565200000000 ]  - [   0.0000000000000000, -0.0007193100000000, -0.0009087100000000 ]  - [  -0.0002552700000000, -0.0001061500000000, -0.0003565200000000 ]  - [   0.0002552700000000, -0.0001061500000000, -0.0003565200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001671100000000 ]  - [  -0.0000482600000000,  0.0000000000000000, -0.0001098700000000 ]  - [   0.0000482600000000,  0.0000000000000000, -0.0001098700000000 ]  - [   0.0007193100000000,  0.0000000000000000, -0.0009087100000000 ]  - [  -0.0007193100000000,  0.0000000000000000, -0.0009087100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001671100000000 ]  - [   0.0001061500000000, -0.0002552700000000, -0.0003565200000000 ]  - [  -0.0001061500000000, -0.0002552700000000, -0.0003565200000000 ]  - [   0.0000000000000000, -0.0000482600000000, -0.0001098700000000 ]  - [   0.0001061500000000,  0.0002552700000000, -0.0003565200000000 ]  - [  -0.0001061500000000,  0.0002552700000000, -0.0003565200000000 ]  - [   0.0000000000000000,  0.0000482600000000, -0.0001098700000000 ]  - [  -0.0004767200000000, -0.0004767200000000, -0.0005953700000000 ]  - [   0.0004767200000000, -0.0004767200000000, -0.0005953700000000 ]  - [   0.0000000000000000, -0.0001442900000000,  0.0000856300000000 ]  - [  -0.0004767200000000,  0.0004767200000000, -0.0005953700000000 ]  - [   0.0004767200000000,  0.0004767200000000, -0.0005953700000000 ]  - [   0.0000000000000000,  0.0001442900000000,  0.0000856300000000 ]  - [  -0.0001442900000000,  0.0000000000000000,  0.0000856300000000 ]  - [   0.0001442900000000,  0.0000000000000000,  0.0000856300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001718000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021011700000000 ]  - [  -0.0000560800000000,  0.0000000000000000, -0.0008160600000000 ]  - [   0.0000560800000000,  0.0000000000000000, -0.0008160600000000 ]  - [   0.0000000000000000, -0.0000560800000000, -0.0008160600000000 ]  - [  -0.0000112300000000, -0.0000112300000000, -0.0005511400000000 ]  - [   0.0000112300000000, -0.0000112300000000, -0.0005511400000000 ]  - [   0.0000000000000000,  0.0000560800000000, -0.0008160600000000 ]  - [  -0.0000112300000000,  0.0000112300000000, -0.0005511400000000 ]  - [   0.0000112300000000,  0.0000112300000000, -0.0005511400000000 ]  - [   0.0039573200000000,  0.0039573200000000,  0.0004492100000000 ]  - [  -0.0039573200000000,  0.0039573200000000,  0.0004492100000000 ]  - [   0.0000000000000000,  0.0001320600000000, -0.0003052800000000 ]  - [   0.0039573200000000, -0.0039573200000000,  0.0004492100000000 ]  - [  -0.0039573200000000, -0.0039573200000000,  0.0004492100000000 ]  - [   0.0000000000000000, -0.0001320600000000, -0.0003052800000000 ]  - [   0.0001320600000000,  0.0000000000000000, -0.0003052800000000 ]  - [  -0.0001320600000000,  0.0000000000000000, -0.0003052800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002073700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047854400000000 ]  - [   0.0006006800000000,  0.0000000000000000,  0.0007719600000000 ]  - [  -0.0006006800000000,  0.0000000000000000,  0.0007719600000000 ]  - [   0.0000000000000000,  0.0006006800000000,  0.0007719600000000 ]  - [   0.0002033900000000,  0.0002033900000000,  0.0004672300000000 ]  - [  -0.0002033900000000,  0.0002033900000000,  0.0004672300000000 ]  - [   0.0000000000000000, -0.0006006800000000,  0.0007719600000000 ]  - [   0.0002033900000000, -0.0002033900000000,  0.0004672300000000 ]  - [  -0.0002033900000000, -0.0002033900000000,  0.0004672300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0295199500000000 ]  - [   0.0016192200000000,  0.0000000000000000, -0.0028543700000000 ]  - [  -0.0016192200000000,  0.0000000000000000, -0.0028543700000000 ]  - [   0.0000000000000000,  0.0016192200000000, -0.0028543700000000 ]  - [   0.0008043900000000,  0.0008043900000000, -0.0029004600000000 ]  - [  -0.0008043900000000,  0.0008043900000000, -0.0029004600000000 ]  - [   0.0000000000000000, -0.0016192200000000, -0.0028543700000000 ]  - [   0.0008043900000000, -0.0008043900000000, -0.0029004600000000 ]  - [  -0.0008043900000000, -0.0008043900000000, -0.0029004600000000 ]  - [  -0.0009551100000000, -0.0009551100000000,  0.0034172200000000 ]  - [   0.0009551100000000, -0.0009551100000000,  0.0034172200000000 ]  - [   0.0000000000000000,  0.0016211800000000,  0.0015400900000000 ]  - [  -0.0009551100000000,  0.0009551100000000,  0.0034172200000000 ]  - [   0.0009551100000000,  0.0009551100000000,  0.0034172200000000 ]  - [   0.0000000000000000, -0.0016211800000000,  0.0015400900000000 ]  - [   0.0016211800000000,  0.0000000000000000,  0.0015400900000000 ]  - [  -0.0016211800000000,  0.0000000000000000,  0.0015400900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002836200000000 ]  - [   0.0007948700000000,  0.0007948700000000, -0.0016464400000000 ]  - [  -0.0007948700000000,  0.0007948700000000, -0.0016464400000000 ]  - [   0.0000000000000000,  0.0017062600000000, -0.0012745500000000 ]  - [   0.0007948700000000, -0.0007948700000000, -0.0016464400000000 ]  - [  -0.0007948700000000, -0.0007948700000000, -0.0016464400000000 ]  - [   0.0000000000000000, -0.0017062600000000, -0.0012745500000000 ]  - [   0.0017062600000000,  0.0000000000000000, -0.0012745500000000 ]  - [  -0.0017062600000000,  0.0000000000000000, -0.0012745500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000912500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038843000000000 ]  - [   0.0011702700000000,  0.0000000000000000,  0.0022313700000000 ]  - [  -0.0011702700000000,  0.0000000000000000,  0.0022313700000000 ]  - [   0.0000000000000000,  0.0011702700000000,  0.0022313700000000 ]  - [   0.0006598700000000,  0.0006598700000000,  0.0026970000000000 ]  - [  -0.0006598700000000,  0.0006598700000000,  0.0026970000000000 ]  - [   0.0000000000000000, -0.0011702700000000,  0.0022313700000000 ]  - [   0.0006598700000000, -0.0006598700000000,  0.0026970000000000 ]  - [  -0.0006598700000000, -0.0006598700000000,  0.0026970000000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0006133900000000,  0.0000000000000000, -0.0013456700000000 ]  - [  -0.0006133900000000,  0.0000000000000000, -0.0013456700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002393000000000 ]  - [   0.0002350000000000, -0.0007525800000000, -0.0002294800000000 ]  - [  -0.0002350000000000, -0.0007525800000000, -0.0002294800000000 ]  - [   0.0000000000000000, -0.0001292600000000, -0.0001363900000000 ]  - [   0.0002350000000000,  0.0007525800000000, -0.0002294800000000 ]  - [  -0.0002350000000000,  0.0007525800000000, -0.0002294800000000 ]  - [   0.0000000000000000,  0.0001292600000000, -0.0001363900000000 ]  - [   0.0000000000000000,  0.0006133900000000, -0.0013456700000000 ]  - [  -0.0007525800000000,  0.0002350000000000, -0.0002294800000000 ]  - [   0.0007525800000000,  0.0002350000000000, -0.0002294800000000 ]  - [   0.0000000000000000, -0.0006133900000000, -0.0013456700000000 ]  - [  -0.0007525800000000, -0.0002350000000000, -0.0002294800000000 ]  - [   0.0007525800000000, -0.0002350000000000, -0.0002294800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002393000000000 ]  - [  -0.0001292600000000,  0.0000000000000000, -0.0001363900000000 ]  - [   0.0001292600000000,  0.0000000000000000, -0.0001363900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0050343400000000 ]  - [   0.0006228400000000,  0.0000000000000000,  0.0001247700000000 ]  - [  -0.0006228400000000,  0.0000000000000000,  0.0001247700000000 ]  - [   0.0000000000000000,  0.0006228400000000,  0.0001247700000000 ]  - [   0.0002829900000000,  0.0002829900000000,  0.0001150300000000 ]  - [  -0.0002829900000000,  0.0002829900000000,  0.0001150300000000 ]  - [   0.0000000000000000, -0.0006228400000000,  0.0001247700000000 ]  - [   0.0002829900000000, -0.0002829900000000,  0.0001150300000000 ]  - [  -0.0002829900000000, -0.0002829900000000,  0.0001150300000000 ]  - [  -0.0000660300000000, -0.0000660300000000, -0.0028067400000000 ]  - [   0.0000660300000000, -0.0000660300000000, -0.0028067400000000 ]  - [   0.0000000000000000,  0.0000105600000000, -0.0006406100000000 ]  - [  -0.0000660300000000,  0.0000660300000000, -0.0028067400000000 ]  - [   0.0000660300000000,  0.0000660300000000, -0.0028067400000000 ]  - [   0.0000000000000000, -0.0000105600000000, -0.0006406100000000 ]  - [   0.0000105600000000,  0.0000000000000000, -0.0006406100000000 ]  - [  -0.0000105600000000,  0.0000000000000000, -0.0006406100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004908600000000 ]  - [   0.0000000000000000, -0.0007449500000000,  0.0009135300000000 ]  - [   0.0002653400000000, -0.0001216900000000,  0.0003667800000000 ]  - [  -0.0002653400000000, -0.0001216900000000,  0.0003667800000000 ]  - [   0.0000000000000000,  0.0007449500000000,  0.0009135300000000 ]  - [   0.0002653400000000,  0.0001216900000000,  0.0003667800000000 ]  - [  -0.0002653400000000,  0.0001216900000000,  0.0003667800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001789200000000 ]  - [   0.0000391900000000,  0.0000000000000000,  0.0001224300000000 ]  - [  -0.0000391900000000,  0.0000000000000000,  0.0001224300000000 ]  - [  -0.0007449500000000,  0.0000000000000000,  0.0009135300000000 ]  - [   0.0007449500000000,  0.0000000000000000,  0.0009135300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001789200000000 ]  - [  -0.0001216900000000,  0.0002653400000000,  0.0003667800000000 ]  - [   0.0001216900000000,  0.0002653400000000,  0.0003667800000000 ]  - [   0.0000000000000000,  0.0000391900000000,  0.0001224300000000 ]  - [  -0.0001216900000000, -0.0002653400000000,  0.0003667800000000 ]  - [   0.0001216900000000, -0.0002653400000000,  0.0003667800000000 ]  - [   0.0000000000000000, -0.0000391900000000,  0.0001224300000000 ]  - [   0.0004794500000000,  0.0004794500000000,  0.0010752700000000 ]  - [  -0.0004794500000000,  0.0004794500000000,  0.0010752700000000 ]  - [   0.0000000000000000,  0.0001118600000000,  0.0003985200000000 ]  - [   0.0004794500000000, -0.0004794500000000,  0.0010752700000000 ]  - [  -0.0004794500000000, -0.0004794500000000,  0.0010752700000000 ]  - [   0.0000000000000000, -0.0001118600000000,  0.0003985200000000 ]  - [   0.0001118600000000,  0.0000000000000000,  0.0003985200000000 ]  - [  -0.0001118600000000,  0.0000000000000000,  0.0003985200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003224500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016198200000000 ]  - [   0.0000235300000000,  0.0000000000000000,  0.0003477300000000 ]  - [  -0.0000235300000000,  0.0000000000000000,  0.0003477300000000 ]  - [   0.0000000000000000,  0.0000235300000000,  0.0003477300000000 ]  - [   0.0000121900000000,  0.0000121900000000,  0.0000885700000000 ]  - [  -0.0000121900000000,  0.0000121900000000,  0.0000885700000000 ]  - [   0.0000000000000000, -0.0000235300000000,  0.0003477300000000 ]  - [   0.0000121900000000, -0.0000121900000000,  0.0000885700000000 ]  - [  -0.0000121900000000, -0.0000121900000000,  0.0000885700000000 ]  - [  -0.0040500700000000, -0.0040500700000000, -0.0004183500000000 ]  - [   0.0040500700000000, -0.0040500700000000, -0.0004183500000000 ]  - [   0.0000000000000000, -0.0001773000000000,  0.0003200300000000 ]  - [  -0.0040500700000000,  0.0040500700000000, -0.0004183500000000 ]  - [   0.0040500700000000,  0.0040500700000000, -0.0004183500000000 ]  - [   0.0000000000000000,  0.0001773000000000,  0.0003200300000000 ]  - [  -0.0001773000000000,  0.0000000000000000,  0.0003200300000000 ]  - [   0.0001773000000000,  0.0000000000000000,  0.0003200300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002165300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047194700000000 ]  - [  -0.0006455300000000,  0.0000000000000000, -0.0007561700000000 ]  - [   0.0006455300000000,  0.0000000000000000, -0.0007561700000000 ]  - [   0.0000000000000000, -0.0006455300000000, -0.0007561700000000 ]  - [  -0.0002847900000000, -0.0002847900000000, -0.0004533900000000 ]  - [   0.0002847900000000, -0.0002847900000000, -0.0004533900000000 ]  - [   0.0000000000000000,  0.0006455300000000, -0.0007561700000000 ]  - [  -0.0002847900000000,  0.0002847900000000, -0.0004533900000000 ]  - [   0.0002847900000000,  0.0002847900000000, -0.0004533900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0270743900000000 ]  - [   0.0017697500000000,  0.0000000000000000, -0.0004904000000000 ]  - [  -0.0017697500000000,  0.0000000000000000, -0.0004904000000000 ]  - [   0.0000000000000000,  0.0017697500000000, -0.0004904000000000 ]  - [   0.0008188700000000,  0.0008188700000000, -0.0020393700000000 ]  - [  -0.0008188700000000,  0.0008188700000000, -0.0020393700000000 ]  - [   0.0000000000000000, -0.0017697500000000, -0.0004904000000000 ]  - [   0.0008188700000000, -0.0008188700000000, -0.0020393700000000 ]  - [  -0.0008188700000000, -0.0008188700000000, -0.0020393700000000 ]  - [   0.0025632800000000,  0.0025632800000000,  0.0015460700000000 ]  - [  -0.0025632800000000,  0.0025632800000000,  0.0015460700000000 ]  - [   0.0000000000000000,  0.0017792800000000,  0.0018268600000000 ]  - [   0.0025632800000000, -0.0025632800000000,  0.0015460700000000 ]  - [  -0.0025632800000000, -0.0025632800000000,  0.0015460700000000 ]  - [   0.0000000000000000, -0.0017792800000000,  0.0018268600000000 ]  - [   0.0017792800000000,  0.0000000000000000,  0.0018268600000000 ]  - [  -0.0017792800000000,  0.0000000000000000,  0.0018268600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004573300000000 ]  - [   0.0008262700000000,  0.0008262700000000, -0.0032949500000000 ]  - [  -0.0008262700000000,  0.0008262700000000, -0.0032949500000000 ]  - [   0.0000000000000000,  0.0016931000000000, -0.0020657200000000 ]  - [   0.0008262700000000, -0.0008262700000000, -0.0032949500000000 ]  - [  -0.0008262700000000, -0.0008262700000000, -0.0032949500000000 ]  - [   0.0000000000000000, -0.0016931000000000, -0.0020657200000000 ]  - [   0.0016931000000000,  0.0000000000000000, -0.0020657200000000 ]  - [  -0.0016931000000000,  0.0000000000000000, -0.0020657200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006225300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031621600000000 ]  - [   0.0022325000000000,  0.0000000000000000,  0.0011400700000000 ]  - [  -0.0022325000000000,  0.0000000000000000,  0.0011400700000000 ]  - [   0.0000000000000000,  0.0022325000000000,  0.0011400700000000 ]  - [   0.0009664900000000,  0.0009664900000000,  0.0022691800000000 ]  - [  -0.0009664900000000,  0.0009664900000000,  0.0022691800000000 ]  - [   0.0000000000000000, -0.0022325000000000,  0.0011400700000000 ]  - [   0.0009664900000000, -0.0009664900000000,  0.0022691800000000 ]  - [  -0.0009664900000000, -0.0009664900000000,  0.0022691800000000 ]