# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/971349c5-0f84-4e32-863e-fbb85faebf50/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 Rb2CdCl4 / I4/mmm (139) / materials id 29873](https://mdr.nims.go.jp/datasets/c7e255e2-da8f-4a54-b77a-66b3386f6a25)

## 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:  - [    -2.597908205000000,     2.597908205000000,     8.040340755000001 ] # a  - [     2.597908205000000,    -2.597908205000000,     8.040340755000001 ] # b  - [     2.597908205000000,     2.597908205000000,    -8.040340755000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.360903540000000,  0.360903540000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.639096460000000,  0.639096460000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Cd # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000  - symbol: Cl # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.160184840000000,  0.160184840000000,  0.000000000000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.839815160000000,  0.839815160000000,  0.000000000000000 ]    mass: 35.453000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.192462535449747,     0.062186419112780 ] # a*  - [     0.192462535449747,     0.000000000000000,     0.062186419112780 ] # b*  - [     0.192462535449747,     0.192462535449747,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.195816410000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.195816410000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.080681510000002 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.139096460000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.639096460000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Cd # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 5  - symbol: Cd # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 5  - symbol: Cl # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.160184840000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.339815160000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 12    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 13    coordinates: [  0.500000000000000,  0.500000000000000,  0.660184840000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.839815160000000 ]    mass: 35.453000    reduced_to: 10supercell:  lattice:  - [    15.587449230000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.587449230000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.080681510000002 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.360903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 10    coordinates: [  0.166666666666667,  0.166666666666667,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 11    coordinates: [  0.500000000000000,  0.166666666666667,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 12    coordinates: [  0.833333333333333,  0.166666666666667,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 13    coordinates: [  0.166666666666667,  0.500000000000000,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 15    coordinates: [  0.833333333333333,  0.500000000000000,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 16    coordinates: [  0.166666666666667,  0.833333333333333,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 17    coordinates: [  0.500000000000000,  0.833333333333333,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 18    coordinates: [  0.833333333333333,  0.833333333333333,  0.139096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 19    coordinates: [  0.166666666666667,  0.166666666666667,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 20    coordinates: [  0.500000000000000,  0.166666666666667,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 21    coordinates: [  0.833333333333333,  0.166666666666667,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 22    coordinates: [  0.166666666666667,  0.500000000000000,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 24    coordinates: [  0.833333333333333,  0.500000000000000,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 25    coordinates: [  0.166666666666667,  0.833333333333333,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.500000000000000,  0.833333333333333,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 27    coordinates: [  0.833333333333333,  0.833333333333333,  0.860903540000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.639096460000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Cd # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 46    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 47    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 48    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 49    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 51    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 52    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 53    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cd # 54    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 112.411000    reduced_to: 37  - symbol: Cl # 55    coordinates: [  0.166666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 56    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 57    coordinates: [  0.833333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 58    coordinates: [  0.166666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 59    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 60    coordinates: [  0.833333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 61    coordinates: [  0.166666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 62    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 63    coordinates: [  0.833333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 64    coordinates: [  0.166666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 65    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 66    coordinates: [  0.833333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 67    coordinates: [  0.166666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 68    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 69    coordinates: [  0.833333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 70    coordinates: [  0.166666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 71    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 72    coordinates: [  0.833333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.160184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 82    coordinates: [  0.166666666666667,  0.166666666666667,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 83    coordinates: [  0.500000000000000,  0.166666666666667,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 84    coordinates: [  0.833333333333333,  0.166666666666667,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 85    coordinates: [  0.166666666666667,  0.500000000000000,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 86    coordinates: [  0.500000000000000,  0.500000000000000,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 87    coordinates: [  0.833333333333333,  0.500000000000000,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 88    coordinates: [  0.166666666666667,  0.833333333333333,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 89    coordinates: [  0.500000000000000,  0.833333333333333,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 90    coordinates: [  0.833333333333333,  0.833333333333333,  0.339815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 91    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 92    coordinates: [  0.333333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 93    coordinates: [  0.666666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 94    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 95    coordinates: [  0.333333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 96    coordinates: [  0.666666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 97    coordinates: [  0.000000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 98    coordinates: [  0.333333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 99    coordinates: [  0.666666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 100    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 101    coordinates: [  0.333333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 102    coordinates: [  0.666666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 104    coordinates: [  0.333333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 105    coordinates: [  0.666666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 106    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 107    coordinates: [  0.333333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 108    coordinates: [  0.666666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 35.453000    reduced_to: 64  - symbol: Cl # 109    coordinates: [  0.166666666666667,  0.166666666666667,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 110    coordinates: [  0.500000000000000,  0.166666666666667,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 111    coordinates: [  0.833333333333333,  0.166666666666667,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 112    coordinates: [  0.166666666666667,  0.500000000000000,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 113    coordinates: [  0.500000000000000,  0.500000000000000,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 114    coordinates: [  0.833333333333333,  0.500000000000000,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 115    coordinates: [  0.166666666666667,  0.833333333333333,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 116    coordinates: [  0.500000000000000,  0.833333333333333,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 117    coordinates: [  0.833333333333333,  0.833333333333333,  0.660184840000000 ]    mass: 35.453000    reduced_to: 73  - symbol: Cl # 118    coordinates: [  0.000000000000000,  0.000000000000000,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 119    coordinates: [  0.333333333333333,  0.000000000000000,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 120    coordinates: [  0.666666666666667,  0.000000000000000,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 121    coordinates: [  0.000000000000000,  0.333333333333333,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 122    coordinates: [  0.333333333333333,  0.333333333333333,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 123    coordinates: [  0.666666666666667,  0.333333333333333,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 124    coordinates: [  0.000000000000000,  0.666666666666667,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 125    coordinates: [  0.333333333333333,  0.666666666666667,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82  - symbol: Cl # 126    coordinates: [  0.666666666666667,  0.666666666666667,  0.839815160000000 ]    mass: 35.453000    reduced_to: 82born_effective_charge:- # 1 (Rb)  - [  1.219894610000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.219894610000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.283678660000000 ]- # 2 (Rb)  - [  1.219894610000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.219894610000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.283678660000000 ]- # 3 (Cd)  - [  2.608065730000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  2.608065730000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.123451120000000 ]- # 4 (Cl)  - [ -2.067930370000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.979706270000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.728349900000000 ]- # 5 (Cl)  - [ -0.979706270000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.067930370000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.728349900000000 ]- # 6 (Cl)  - [ -1.000109160000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.000109160000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -1.617054320000000 ]- # 7 (Cl)  - [ -1.000109160000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.000109160000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -1.617054320000000 ]dielectric_constant:  - [  2.905573830000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.905573830000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.796009010000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0073840800000000,  0.0000000000000000, -0.0004184300000000 ]  - [   0.0012684300000000,  0.0000000000000000, -0.0003513600000000 ]  - [   0.0012602200000000,  0.0000000000000000, -0.0003280600000000 ]  - [  -0.0006600600000000, -0.0000009200000000, -0.0003399800000000 ]  - [   0.0003381800000000,  0.0002754200000000, -0.0003203600000000 ]  - [   0.0003381700000000, -0.0002748800000000, -0.0003600200000000 ]  - [  -0.0006600600000000,  0.0000009200000000, -0.0003399800000000 ]  - [   0.0003381800000000, -0.0002754200000000, -0.0003203600000000 ]  - [   0.0003381700000000,  0.0002748800000000, -0.0003600200000000 ]  - [  -0.0000192500000000,  0.0002789300000000, -0.0004117600000000 ]  - [   0.0002400500000000,  0.0000001100000000,  0.0003394800000000 ]  - [  -0.0000163000000000, -0.0002790900000000,  0.0010900900000000 ]  - [  -0.0000664000000000,  0.0000000000000000,  0.0002730400000000 ]  - [   0.0001329000000000,  0.0000000000000000,  0.0003400300000000 ]  - [  -0.0000658200000000,  0.0000000000000000,  0.0004062600000000 ]  - [  -0.0000192500000000, -0.0002789300000000, -0.0004117600000000 ]  - [   0.0002400500000000, -0.0000001100000000,  0.0003394800000000 ]  - [  -0.0000163000000000,  0.0002790900000000,  0.0010900900000000 ]  - [  -0.0000566300000000,  0.0000164600000000, -0.0002748400000000 ]  - [   0.0001123900000000, -0.0000000200000000, -0.0003400300000000 ]  - [  -0.0000560800000000, -0.0000167200000000, -0.0004049700000000 ]  - [  -0.0000389200000000,  0.0000000000000000, -0.0003191200000000 ]  - [   0.0000778500000000,  0.0000000000000000, -0.0003400700000000 ]  - [  -0.0000385300000000,  0.0000000000000000, -0.0003609700000000 ]  - [  -0.0000566300000000, -0.0000164600000000, -0.0002748400000000 ]  - [   0.0001123900000000,  0.0000000200000000, -0.0003400300000000 ]  - [  -0.0000560800000000,  0.0000167200000000, -0.0004049700000000 ]  - [  -0.0008933200000000,  0.0000000000000000,  0.0003381800000000 ]  - [   0.0004082900000000,  0.0000000000000000,  0.0006570000000000 ]  - [   0.0004084200000000,  0.0000000000000000,  0.0000240800000000 ]  - [  -0.0002402200000000, -0.0000004100000000,  0.0003398700000000 ]  - [   0.0001230800000000,  0.0000826900000000,  0.0004207500000000 ]  - [   0.0001233600000000, -0.0000825000000000,  0.0002598600000000 ]  - [  -0.0002402200000000,  0.0000004100000000,  0.0003398700000000 ]  - [   0.0001230800000000, -0.0000826900000000,  0.0004207500000000 ]  - [   0.0001233600000000,  0.0000825000000000,  0.0002598600000000 ]  - [  -0.0002183000000000,  0.0000000000000000,  0.0000061400000000 ]  - [   0.0001355200000000,  0.0000000000000000, -0.0002645800000000 ]  - [   0.0001375100000000,  0.0000000000000000,  0.0002627000000000 ]  - [  -0.0001819200000000, -0.0000007000000000, -0.0000001400000000 ]  - [   0.0000905100000000,  0.0000545300000000, -0.0000924800000000 ]  - [   0.0000910700000000, -0.0000543600000000,  0.0000924100000000 ]  - [  -0.0001819200000000,  0.0000007000000000, -0.0000001400000000 ]  - [   0.0000905100000000, -0.0000545300000000, -0.0000924800000000 ]  - [   0.0000910700000000,  0.0000543600000000,  0.0000924100000000 ]  - [  -0.0001218500000000,  0.0018806200000000,  0.0017749100000000 ]  - [   0.0009790900000000,  0.0000003800000000,  0.0000001600000000 ]  - [  -0.0001176500000000, -0.0018727400000000, -0.0017675500000000 ]  - [  -0.0001436800000000,  0.0000000000000000,  0.0000444900000000 ]  - [   0.0002904500000000,  0.0000000000000000, -0.0000001200000000 ]  - [  -0.0001427000000000,  0.0000000000000000, -0.0000443700000000 ]  - [  -0.0001218500000000, -0.0018806200000000,  0.0017749100000000 ]  - [   0.0009790900000000, -0.0000003800000000,  0.0000001600000000 ]  - [  -0.0001176500000000,  0.0018727400000000, -0.0017675500000000 ]  - [   0.0002237900000000,  0.0000000000000000,  0.0000633500000000 ]  - [  -0.0003496500000000,  0.0000000000000000,  0.0000002200000000 ]  - [   0.0002189500000000,  0.0000000000000000, -0.0000639900000000 ]  - [   0.0001015500000000, -0.0000456300000000,  0.0000383700000000 ]  - [  -0.0002025900000000, -0.0000000300000000, -0.0000000800000000 ]  - [   0.0001005500000000,  0.0000458500000000, -0.0000382900000000 ]  - [   0.0001015500000000,  0.0000456300000000,  0.0000383700000000 ]  - [  -0.0002025900000000,  0.0000000300000000, -0.0000000800000000 ]  - [   0.0001005500000000, -0.0000458500000000, -0.0000382900000000 ]  - [   0.0018287400000000,  0.0000000000000000,  0.0009700800000000 ]  - [  -0.0004076800000000,  0.0000000000000000, -0.0000003100000000 ]  - [   0.0017479700000000,  0.0000000000000000, -0.0008959000000000 ]  - [   0.0001222300000000, -0.0004011900000000, -0.0001684500000000 ]  - [  -0.0002169900000000, -0.0000005700000000,  0.0000000600000000 ]  - [   0.0001214400000000,  0.0004004900000000,  0.0001678700000000 ]  - [   0.0001222300000000,  0.0004011900000000, -0.0001684500000000 ]  - [  -0.0002169900000000,  0.0000005700000000,  0.0000000600000000 ]  - [   0.0001214400000000, -0.0004004900000000,  0.0001678700000000 ]  - [   0.0006866600000000,  0.0000000000000000, -0.0002985800000000 ]  - [  -0.0002933900000000,  0.0000000000000000,  0.0001721300000000 ]  - [  -0.0002927700000000,  0.0000000000000000, -0.0007748200000000 ]  - [   0.0002157000000000,  0.0000001600000000, -0.0003028900000000 ]  - [  -0.0001080100000000, -0.0000767100000000, -0.0001395400000000 ]  - [  -0.0001079500000000,  0.0000764300000000, -0.0004662700000000 ]  - [   0.0002157000000000, -0.0000001600000000, -0.0003028900000000 ]  - [  -0.0001080100000000,  0.0000767100000000, -0.0001395400000000 ]  - [  -0.0001079500000000, -0.0000764300000000, -0.0004662700000000 ]  - [   0.0000169300000000, -0.0010005400000000, -0.0002808900000000 ]  - [  -0.0003947600000000, -0.0000003400000000,  0.0003031300000000 ]  - [  -0.0000100000000000,  0.0010185200000000,  0.0008845000000000 ]  - [   0.0000812900000000,  0.0000000000000000,  0.0003242200000000 ]  - [  -0.0001644300000000,  0.0000000000000000,  0.0003031200000000 ]  - [   0.0000813800000000,  0.0000000000000000,  0.0002815600000000 ]  - [   0.0000169300000000,  0.0010005400000000, -0.0002808900000000 ]  - [  -0.0003947600000000,  0.0000003400000000,  0.0003031300000000 ]  - [  -0.0000100000000000, -0.0010185200000000,  0.0008845000000000 ]  - [   0.0017599000000000, -0.0000031200000000, -0.0000026200000000 ]  - [  -0.0008181200000000, -0.0001993700000000, -0.0001713000000000 ]  - [  -0.0008173700000000,  0.0001984300000000,  0.0001706200000000 ]  - [   0.0004137800000000,  0.0000000000000000, -0.0000001400000000 ]  - [  -0.0002046400000000,  0.0000000000000000, -0.0000273700000000 ]  - [  -0.0002048300000000,  0.0000000000000000,  0.0000274900000000 ]  - [   0.0017599000000000,  0.0000031200000000, -0.0000026200000000 ]  - [  -0.0008181200000000,  0.0001993700000000, -0.0001713000000000 ]  - [  -0.0008173700000000, -0.0001984300000000,  0.0001706200000000 ]  - [   0.0001462800000000,  0.0000020300000000, -0.0000004800000000 ]  - [  -0.0000759600000000, -0.0000665100000000,  0.0000615100000000 ]  - [  -0.0000763600000000,  0.0000666100000000, -0.0000613600000000 ]  - [   0.0000659800000000,  0.0000000000000000,  0.0000000900000000 ]  - [  -0.0000329900000000,  0.0000000000000000,  0.0000223500000000 ]  - [  -0.0000330600000000,  0.0000000000000000, -0.0000226000000000 ]  - [   0.0001462800000000, -0.0000020300000000, -0.0000004800000000 ]  - [  -0.0000759600000000,  0.0000665100000000,  0.0000615100000000 ]  - [  -0.0000763600000000, -0.0000666100000000, -0.0000613600000000 ]  - [   0.0001437200000000, -0.0002512200000000, -0.0005726400000000 ]  - [  -0.0002565400000000,  0.0000000800000000, -0.0003033900000000 ]  - [   0.0001423700000000,  0.0002506800000000, -0.0000344200000000 ]  - [   0.0000510400000000,  0.0000000000000000, -0.0004129200000000 ]  - [  -0.0001013800000000,  0.0000000000000000, -0.0003030100000000 ]  - [   0.0000508000000000,  0.0000000000000000, -0.0001931700000000 ]  - [   0.0001437200000000,  0.0002512200000000, -0.0005726400000000 ]  - [  -0.0002565400000000, -0.0000000800000000, -0.0003033900000000 ]  - [   0.0001423700000000, -0.0002506800000000, -0.0000344200000000 ]  - [   0.0001242400000000,  0.0000000000000000,  0.0003032100000000 ]  - [  -0.0000598900000000,  0.0000000000000000,  0.0001901800000000 ]  - [  -0.0000605000000000,  0.0000000000000000,  0.0004149100000000 ]  - [   0.0000866300000000,  0.0000001000000000,  0.0003029400000000 ]  - [  -0.0000433800000000, -0.0000188200000000,  0.0002675500000000 ]  - [  -0.0000438300000000,  0.0000187500000000,  0.0003382100000000 ]  - [   0.0000866300000000, -0.0000001000000000,  0.0003029400000000 ]  - [  -0.0000433800000000,  0.0000188200000000,  0.0002675500000000 ]  - [  -0.0000438300000000, -0.0000187500000000,  0.0003382100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0192619300000000 ]  - [   0.0000105900000000,  0.0000000000000000, -0.0008826300000000 ]  - [  -0.0000105900000000,  0.0000000000000000, -0.0008826300000000 ]  - [   0.0000000000000000,  0.0000105900000000, -0.0008826300000000 ]  - [  -0.0000201800000000, -0.0000201800000000, -0.0005160500000000 ]  - [   0.0000201800000000, -0.0000201800000000, -0.0005160500000000 ]  - [   0.0000000000000000, -0.0000105900000000, -0.0008826300000000 ]  - [  -0.0000201800000000,  0.0000201800000000, -0.0005160500000000 ]  - [   0.0000201800000000,  0.0000201800000000, -0.0005160500000000 ]  - [  -0.0007481800000000, -0.0007481800000000,  0.0006575300000000 ]  - [   0.0000000000000000, -0.0000664000000000,  0.0002540000000000 ]  - [   0.0007481800000000, -0.0007481800000000,  0.0006575300000000 ]  - [  -0.0000664000000000,  0.0000000000000000,  0.0002540000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002783600000000 ]  - [   0.0000664000000000,  0.0000000000000000,  0.0002540000000000 ]  - [  -0.0007481800000000,  0.0007481800000000,  0.0006575300000000 ]  - [   0.0000000000000000,  0.0000664000000000,  0.0002540000000000 ]  - [   0.0007481800000000,  0.0007481800000000,  0.0006575300000000 ]  - [  -0.0000647400000000, -0.0000647400000000,  0.0000674200000000 ]  - [   0.0000000000000000, -0.0000209300000000, -0.0001796000000000 ]  - [   0.0000647400000000, -0.0000647400000000,  0.0000674200000000 ]  - [  -0.0000209300000000,  0.0000000000000000, -0.0001796000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002400200000000 ]  - [   0.0000209300000000,  0.0000000000000000, -0.0001796000000000 ]  - [  -0.0000647400000000,  0.0000647400000000,  0.0000674200000000 ]  - [   0.0000000000000000,  0.0000209300000000, -0.0001796000000000 ]  - [   0.0000647400000000,  0.0000647400000000,  0.0000674200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024995200000000 ]  - [   0.0003163800000000,  0.0000000000000000,  0.0006426000000000 ]  - [  -0.0003163800000000,  0.0000000000000000,  0.0006426000000000 ]  - [   0.0000000000000000,  0.0003163800000000,  0.0006426000000000 ]  - [   0.0000804500000000,  0.0000804500000000,  0.0004370300000000 ]  - [  -0.0000804500000000,  0.0000804500000000,  0.0004370300000000 ]  - [   0.0000000000000000, -0.0003163800000000,  0.0006426000000000 ]  - [   0.0000804500000000, -0.0000804500000000,  0.0004370300000000 ]  - [  -0.0000804500000000, -0.0000804500000000,  0.0004370300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032314600000000 ]  - [  -0.0004480700000000,  0.0000000000000000,  0.0002430700000000 ]  - [   0.0004480700000000,  0.0000000000000000,  0.0002430700000000 ]  - [   0.0000000000000000, -0.0004480700000000,  0.0002430700000000 ]  - [  -0.0001045000000000, -0.0001045000000000,  0.0001023200000000 ]  - [   0.0001045000000000, -0.0001045000000000,  0.0001023200000000 ]  - [   0.0000000000000000,  0.0004480700000000,  0.0002430700000000 ]  - [  -0.0001045000000000,  0.0001045000000000,  0.0001023200000000 ]  - [   0.0001045000000000,  0.0001045000000000,  0.0001023200000000 ]  - [   0.0015647800000000,  0.0015647800000000, -0.0004731100000000 ]  - [   0.0000000000000000,  0.0000507100000000, -0.0000850600000000 ]  - [  -0.0015647800000000,  0.0015647800000000, -0.0004731100000000 ]  - [   0.0000507100000000,  0.0000000000000000, -0.0000850600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000525500000000 ]  - [  -0.0000507100000000,  0.0000000000000000, -0.0000850600000000 ]  - [   0.0015647800000000, -0.0015647800000000, -0.0004731100000000 ]  - [   0.0000000000000000, -0.0000507100000000, -0.0000850600000000 ]  - [  -0.0015647800000000, -0.0015647800000000, -0.0004731100000000 ]  - [   0.0008148800000000,  0.0000000000000000, -0.0004541200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000708200000000 ]  - [  -0.0008148800000000,  0.0000000000000000, -0.0004541200000000 ]  - [   0.0001413400000000,  0.0001046200000000, -0.0000856800000000 ]  - [   0.0000000000000000,  0.0000294400000000, -0.0000304500000000 ]  - [  -0.0001413400000000,  0.0001046200000000, -0.0000856800000000 ]  - [   0.0001413400000000, -0.0001046200000000, -0.0000856800000000 ]  - [   0.0000000000000000, -0.0000294400000000, -0.0000304500000000 ]  - [  -0.0001413400000000, -0.0001046200000000, -0.0000856800000000 ]  - [   0.0007696100000000,  0.0000000000000000,  0.0015883100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000542200000000 ]  - [  -0.0007696100000000,  0.0000000000000000,  0.0015883100000000 ]  - [  -0.0001670800000000, -0.0002355200000000,  0.0001205100000000 ]  - [   0.0000000000000000, -0.0000847100000000,  0.0000303100000000 ]  - [   0.0001670800000000, -0.0002355200000000,  0.0001205100000000 ]  - [  -0.0001670800000000,  0.0002355200000000,  0.0001205100000000 ]  - [   0.0000000000000000,  0.0000847100000000,  0.0000303100000000 ]  - [   0.0001670800000000,  0.0002355200000000,  0.0001205100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0050277500000000 ]  - [   0.0002876900000000,  0.0000000000000000, -0.0002287300000000 ]  - [  -0.0002876900000000,  0.0000000000000000, -0.0002287300000000 ]  - [   0.0000000000000000,  0.0002876900000000, -0.0002287300000000 ]  - [   0.0000675800000000,  0.0000675800000000, -0.0002002100000000 ]  - [  -0.0000675800000000,  0.0000675800000000, -0.0002002100000000 ]  - [   0.0000000000000000, -0.0002876900000000, -0.0002287300000000 ]  - [   0.0000675800000000, -0.0000675800000000, -0.0002002100000000 ]  - [  -0.0000675800000000, -0.0000675800000000, -0.0002002100000000 ]  - [   0.0001606600000000,  0.0001606600000000,  0.0019432100000000 ]  - [   0.0000000000000000, -0.0000064000000000,  0.0005584100000000 ]  - [  -0.0001606600000000,  0.0001606600000000,  0.0019432100000000 ]  - [  -0.0000064000000000,  0.0000000000000000,  0.0005584100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004562600000000 ]  - [   0.0000064000000000,  0.0000000000000000,  0.0005584100000000 ]  - [   0.0001606600000000, -0.0001606600000000,  0.0019432100000000 ]  - [   0.0000000000000000,  0.0000064000000000,  0.0005584100000000 ]  - [  -0.0001606600000000, -0.0001606600000000,  0.0019432100000000 ]  - [   0.0000000000000000,  0.0007696100000000,  0.0015883100000000 ]  - [  -0.0002355200000000, -0.0001670800000000,  0.0001205100000000 ]  - [   0.0002355200000000, -0.0001670800000000,  0.0001205100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000542200000000 ]  - [  -0.0000847100000000,  0.0000000000000000,  0.0000303100000000 ]  - [   0.0000847100000000,  0.0000000000000000,  0.0000303100000000 ]  - [   0.0000000000000000, -0.0007696100000000,  0.0015883100000000 ]  - [  -0.0002355200000000,  0.0001670800000000,  0.0001205100000000 ]  - [   0.0002355200000000,  0.0001670800000000,  0.0001205100000000 ]  - [   0.0000000000000000,  0.0008148800000000, -0.0004541200000000 ]  - [   0.0001046200000000,  0.0001413400000000, -0.0000856800000000 ]  - [  -0.0001046200000000,  0.0001413400000000, -0.0000856800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000708200000000 ]  - [   0.0000294400000000,  0.0000000000000000, -0.0000304500000000 ]  - [  -0.0000294400000000,  0.0000000000000000, -0.0000304500000000 ]  - [   0.0000000000000000, -0.0008148800000000, -0.0004541200000000 ]  - [   0.0001046200000000, -0.0001413400000000, -0.0000856800000000 ]  - [  -0.0001046200000000, -0.0001413400000000, -0.0000856800000000 ]  - [  -0.0002411500000000, -0.0002411500000000, -0.0008526400000000 ]  - [   0.0000000000000000, -0.0000331800000000, -0.0004458400000000 ]  - [   0.0002411500000000, -0.0002411500000000, -0.0008526400000000 ]  - [  -0.0000331800000000,  0.0000000000000000, -0.0004458400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004036600000000 ]  - [   0.0000331800000000,  0.0000000000000000, -0.0004458400000000 ]  - [  -0.0002411500000000,  0.0002411500000000, -0.0008526400000000 ]  - [   0.0000000000000000,  0.0000331800000000, -0.0004458400000000 ]  - [   0.0002411500000000,  0.0002411500000000, -0.0008526400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004363000000000 ]  - [   0.0000649300000000,  0.0000000000000000, -0.0001025000000000 ]  - [  -0.0000649300000000,  0.0000000000000000, -0.0001025000000000 ]  - [   0.0000000000000000,  0.0000649300000000, -0.0001025000000000 ]  - [   0.0000080700000000,  0.0000080700000000,  0.0000906500000000 ]  - [  -0.0000080700000000,  0.0000080700000000,  0.0000906500000000 ]  - [   0.0000000000000000, -0.0000649300000000, -0.0001025000000000 ]  - [   0.0000080700000000, -0.0000080700000000,  0.0000906500000000 ]  - [  -0.0000080700000000, -0.0000080700000000,  0.0000906500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0187929300000000 ]  - [  -0.0000128400000000,  0.0000000000000000,  0.0002021600000000 ]  - [   0.0000128400000000,  0.0000000000000000,  0.0002021600000000 ]  - [   0.0000000000000000, -0.0000128400000000,  0.0002021600000000 ]  - [   0.0000194600000000,  0.0000194600000000, -0.0001648900000000 ]  - [  -0.0000194600000000,  0.0000194600000000, -0.0001648900000000 ]  - [   0.0000000000000000,  0.0000128400000000,  0.0002021600000000 ]  - [   0.0000194600000000, -0.0000194600000000, -0.0001648900000000 ]  - [  -0.0000194600000000, -0.0000194600000000, -0.0001648900000000 ]  - [   0.0007535800000000,  0.0007535800000000,  0.0000228200000000 ]  - [   0.0000000000000000,  0.0000665400000000,  0.0004270200000000 ]  - [  -0.0007535800000000,  0.0007535800000000,  0.0000228200000000 ]  - [   0.0000665400000000,  0.0000000000000000,  0.0004270200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004031900000000 ]  - [  -0.0000665400000000,  0.0000000000000000,  0.0004270200000000 ]  - [   0.0007535800000000, -0.0007535800000000,  0.0000228200000000 ]  - [   0.0000000000000000, -0.0000665400000000,  0.0004270200000000 ]  - [  -0.0007535800000000, -0.0007535800000000,  0.0000228200000000 ]  - [   0.0000653100000000,  0.0000653100000000, -0.0007493800000000 ]  - [   0.0000000000000000,  0.0000209900000000, -0.0005019600000000 ]  - [  -0.0000653100000000,  0.0000653100000000, -0.0007493800000000 ]  - [   0.0000209900000000,  0.0000000000000000, -0.0005019600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004414000000000 ]  - [  -0.0000209900000000,  0.0000000000000000, -0.0005019600000000 ]  - [   0.0000653100000000, -0.0000653100000000, -0.0007493800000000 ]  - [   0.0000000000000000, -0.0000209900000000, -0.0005019600000000 ]  - [  -0.0000653100000000, -0.0000653100000000, -0.0007493800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017999800000000 ]  - [  -0.0003165500000000,  0.0000000000000000,  0.0000374500000000 ]  - [   0.0003165500000000,  0.0000000000000000,  0.0000374500000000 ]  - [   0.0000000000000000, -0.0003165500000000,  0.0000374500000000 ]  - [  -0.0000804500000000, -0.0000804500000000,  0.0002434400000000 ]  - [   0.0000804500000000, -0.0000804500000000,  0.0002434400000000 ]  - [   0.0000000000000000,  0.0003165500000000,  0.0000374500000000 ]  - [  -0.0000804500000000,  0.0000804500000000,  0.0002434400000000 ]  - [   0.0000804500000000,  0.0000804500000000,  0.0002434400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032375900000000 ]  - [   0.0004498100000000,  0.0000000000000000, -0.0002437200000000 ]  - [  -0.0004498100000000,  0.0000000000000000, -0.0002437200000000 ]  - [   0.0000000000000000,  0.0004498100000000, -0.0002437200000000 ]  - [   0.0001050800000000,  0.0001050800000000, -0.0001020900000000 ]  - [  -0.0001050800000000,  0.0001050800000000, -0.0001020900000000 ]  - [   0.0000000000000000, -0.0004498100000000, -0.0002437200000000 ]  - [   0.0001050800000000, -0.0001050800000000, -0.0001020900000000 ]  - [  -0.0001050800000000, -0.0001050800000000, -0.0001020900000000 ]  - [  -0.0015626300000000, -0.0015626300000000,  0.0004675000000000 ]  - [   0.0000000000000000, -0.0000510500000000,  0.0000846000000000 ]  - [   0.0015626300000000, -0.0015626300000000,  0.0004675000000000 ]  - [  -0.0000510500000000,  0.0000000000000000,  0.0000846000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000519800000000 ]  - [   0.0000510500000000,  0.0000000000000000,  0.0000846000000000 ]  - [  -0.0015626300000000,  0.0015626300000000,  0.0004675000000000 ]  - [   0.0000000000000000,  0.0000510500000000,  0.0000846000000000 ]  - [   0.0015626300000000,  0.0015626300000000,  0.0004675000000000 ]  - [  -0.0008148900000000,  0.0000000000000000,  0.0004558800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000709400000000 ]  - [   0.0008148900000000,  0.0000000000000000,  0.0004558800000000 ]  - [  -0.0001417800000000, -0.0001050900000000,  0.0000858600000000 ]  - [   0.0000000000000000, -0.0000297200000000,  0.0000301900000000 ]  - [   0.0001417800000000, -0.0001050900000000,  0.0000858600000000 ]  - [  -0.0001417800000000,  0.0001050900000000,  0.0000858600000000 ]  - [   0.0000000000000000,  0.0000297200000000,  0.0000301900000000 ]  - [   0.0001417800000000,  0.0001050900000000,  0.0000858600000000 ]  - [  -0.0007060900000000,  0.0000000000000000, -0.0015383900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000541300000000 ]  - [   0.0007060900000000,  0.0000000000000000, -0.0015383900000000 ]  - [   0.0001669900000000,  0.0002361000000000, -0.0001200300000000 ]  - [   0.0000000000000000,  0.0000844800000000, -0.0000300200000000 ]  - [  -0.0001669900000000,  0.0002361000000000, -0.0001200300000000 ]  - [   0.0001669900000000, -0.0002361000000000, -0.0001200300000000 ]  - [   0.0000000000000000, -0.0000844800000000, -0.0000300200000000 ]  - [  -0.0001669900000000, -0.0002361000000000, -0.0001200300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060237900000000 ]  - [  -0.0002890700000000,  0.0000000000000000, -0.0003742400000000 ]  - [   0.0002890700000000,  0.0000000000000000, -0.0003742400000000 ]  - [   0.0000000000000000, -0.0002890700000000, -0.0003742400000000 ]  - [  -0.0000679600000000, -0.0000679600000000, -0.0004030200000000 ]  - [   0.0000679600000000, -0.0000679600000000, -0.0004030200000000 ]  - [   0.0000000000000000,  0.0002890700000000, -0.0003742400000000 ]  - [  -0.0000679600000000,  0.0000679600000000, -0.0004030200000000 ]  - [   0.0000679600000000,  0.0000679600000000, -0.0004030200000000 ]  - [  -0.0001577600000000, -0.0001577600000000, -0.0013425000000000 ]  - [   0.0000000000000000,  0.0000061900000000,  0.0000429200000000 ]  - [   0.0001577600000000, -0.0001577600000000, -0.0013425000000000 ]  - [   0.0000061900000000,  0.0000000000000000,  0.0000429200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001452900000000 ]  - [  -0.0000061900000000,  0.0000000000000000,  0.0000429200000000 ]  - [  -0.0001577600000000,  0.0001577600000000, -0.0013425000000000 ]  - [   0.0000000000000000, -0.0000061900000000,  0.0000429200000000 ]  - [   0.0001577600000000,  0.0001577600000000, -0.0013425000000000 ]  - [   0.0000000000000000, -0.0007060900000000, -0.0015383900000000 ]  - [   0.0002361000000000,  0.0001669900000000, -0.0001200300000000 ]  - [  -0.0002361000000000,  0.0001669900000000, -0.0001200300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000541300000000 ]  - [   0.0000844800000000,  0.0000000000000000, -0.0000300200000000 ]  - [  -0.0000844800000000,  0.0000000000000000, -0.0000300200000000 ]  - [   0.0000000000000000,  0.0007060900000000, -0.0015383900000000 ]  - [   0.0002361000000000, -0.0001669900000000, -0.0001200300000000 ]  - [  -0.0002361000000000, -0.0001669900000000, -0.0001200300000000 ]  - [   0.0000000000000000, -0.0008148900000000,  0.0004558800000000 ]  - [  -0.0001050900000000, -0.0001417800000000,  0.0000858600000000 ]  - [   0.0001050900000000, -0.0001417800000000,  0.0000858600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000709400000000 ]  - [  -0.0000297200000000,  0.0000000000000000,  0.0000301900000000 ]  - [   0.0000297200000000,  0.0000000000000000,  0.0000301900000000 ]  - [   0.0000000000000000,  0.0008148900000000,  0.0004558800000000 ]  - [  -0.0001050900000000,  0.0001417800000000,  0.0000858600000000 ]  - [   0.0001050900000000,  0.0001417800000000,  0.0000858600000000 ]  - [   0.0002406400000000,  0.0002406400000000,  0.0002514000000000 ]  - [   0.0000000000000000,  0.0000331500000000, -0.0001552800000000 ]  - [  -0.0002406400000000,  0.0002406400000000,  0.0002514000000000 ]  - [   0.0000331500000000,  0.0000000000000000, -0.0001552800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001976100000000 ]  - [  -0.0000331500000000,  0.0000000000000000, -0.0001552800000000 ]  - [   0.0002406400000000, -0.0002406400000000,  0.0002514000000000 ]  - [   0.0000000000000000, -0.0000331500000000, -0.0001552800000000 ]  - [  -0.0002406400000000, -0.0002406400000000,  0.0002514000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010377100000000 ]  - [  -0.0000652100000000,  0.0000000000000000,  0.0007053400000000 ]  - [   0.0000652100000000,  0.0000000000000000,  0.0007053400000000 ]  - [   0.0000000000000000, -0.0000652100000000,  0.0007053400000000 ]  - [  -0.0000082400000000, -0.0000082400000000,  0.0005120000000000 ]  - [   0.0000082400000000, -0.0000082400000000,  0.0005120000000000 ]  - [   0.0000000000000000,  0.0000652100000000,  0.0007053400000000 ]  - [  -0.0000082400000000,  0.0000082400000000,  0.0005120000000000 ]  - [   0.0000082400000000,  0.0000082400000000,  0.0005120000000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002184900000000,  0.0000000000000000, -0.0003447000000000 ]  - [   0.0001367500000000,  0.0000000000000000,  0.0001095200000000 ]  - [   0.0001382100000000,  0.0000000000000000, -0.0007884200000000 ]  - [  -0.0001816900000000, -0.0000001800000000, -0.0003411100000000 ]  - [   0.0000914000000000,  0.0000547200000000, -0.0002356300000000 ]  - [   0.0000922800000000, -0.0000545300000000, -0.0004451200000000 ]  - [  -0.0001816900000000,  0.0000001800000000, -0.0003411100000000 ]  - [   0.0000914000000000, -0.0000547200000000, -0.0002356300000000 ]  - [   0.0000922800000000,  0.0000545300000000, -0.0004451200000000 ]  - [  -0.0001226200000000,  0.0018818000000000,  0.0019098000000000 ]  - [   0.0009799400000000,  0.0000010600000000,  0.0003415400000000 ]  - [  -0.0001152100000000, -0.0018711400000000, -0.0012177600000000 ]  - [  -0.0001433300000000,  0.0000000000000000,  0.0003916500000000 ]  - [   0.0002912600000000,  0.0000000000000000,  0.0003409300000000 ]  - [  -0.0001410600000000,  0.0000000000000000,  0.0002895700000000 ]  - [  -0.0001226200000000, -0.0018818000000000,  0.0019098000000000 ]  - [   0.0009799400000000, -0.0000010600000000,  0.0003415400000000 ]  - [  -0.0001152100000000,  0.0018711400000000, -0.0012177600000000 ]  - [  -0.0001226200000000,  0.0018818000000000, -0.0019098000000000 ]  - [   0.0009799400000000,  0.0000010600000000, -0.0003415400000000 ]  - [  -0.0001152100000000, -0.0018711400000000,  0.0012177600000000 ]  - [  -0.0001433300000000,  0.0000000000000000, -0.0003916500000000 ]  - [   0.0002912600000000,  0.0000000000000000, -0.0003409300000000 ]  - [  -0.0001410600000000,  0.0000000000000000, -0.0002895700000000 ]  - [  -0.0001226200000000, -0.0018818000000000, -0.0019098000000000 ]  - [   0.0009799400000000, -0.0000010600000000, -0.0003415400000000 ]  - [  -0.0001152100000000,  0.0018711400000000,  0.0012177600000000 ]  - [  -0.0002184900000000,  0.0000000000000000,  0.0003447000000000 ]  - [   0.0001367500000000,  0.0000000000000000, -0.0001095200000000 ]  - [   0.0001382100000000,  0.0000000000000000,  0.0007884200000000 ]  - [  -0.0001816900000000, -0.0000001800000000,  0.0003411100000000 ]  - [   0.0000914000000000,  0.0000547200000000,  0.0002356300000000 ]  - [   0.0000922800000000, -0.0000545300000000,  0.0004451200000000 ]  - [  -0.0001816900000000,  0.0000001800000000,  0.0003411100000000 ]  - [   0.0000914000000000, -0.0000547200000000,  0.0002356300000000 ]  - [   0.0000922800000000,  0.0000545300000000,  0.0004451200000000 ]  - [  -0.0612751500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0094068100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0093711500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005005900000000, -0.0000117900000000,  0.0000000000000000 ]  - [   0.0003236500000000,  0.0011788400000000,  0.0000000000000000 ]  - [   0.0003277500000000, -0.0011729600000000,  0.0000000000000000 ]  - [  -0.0005005900000000,  0.0000117900000000,  0.0000000000000000 ]  - [   0.0003236500000000, -0.0011788400000000,  0.0000000000000000 ]  - [   0.0003277500000000,  0.0011729600000000,  0.0000000000000000 ]  - [  -0.0001615900000000,  0.0000831100000000,  0.0000000000000000 ]  - [   0.0003244300000000,  0.0000001900000000,  0.0000000000000000 ]  - [  -0.0001594600000000, -0.0000838300000000,  0.0000000000000000 ]  - [  -0.0000806000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001648900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000791300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001615900000000, -0.0000831100000000,  0.0000000000000000 ]  - [   0.0003244300000000, -0.0000001900000000,  0.0000000000000000 ]  - [  -0.0001594600000000,  0.0000838300000000,  0.0000000000000000 ]  - [   0.0237653800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0019209000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0222520800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006424700000000, -0.0002374100000000,  0.0000000000000000 ]  - [  -0.0010285500000000, -0.0000009400000000,  0.0000000000000000 ]  - [   0.0006332700000000,  0.0002373900000000,  0.0000000000000000 ]  - [   0.0006424700000000,  0.0002374100000000,  0.0000000000000000 ]  - [  -0.0010285500000000,  0.0000009400000000,  0.0000000000000000 ]  - [   0.0006332700000000, -0.0002373900000000,  0.0000000000000000 ]  - [   0.0001075300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002132400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001053200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000517100000000, -0.0001120900000000,  0.0000000000000000 ]  - [  -0.0001008300000000, -0.0000005000000000,  0.0000000000000000 ]  - [   0.0000511400000000,  0.0001120700000000,  0.0000000000000000 ]  - [   0.0000517100000000,  0.0001120900000000,  0.0000000000000000 ]  - [  -0.0001008300000000,  0.0000005000000000,  0.0000000000000000 ]  - [   0.0000511400000000, -0.0001120700000000,  0.0000000000000000 ]  - [   0.0022476900000000,  0.0000000000000000, -0.0003556900000000 ]  - [  -0.0015699100000000,  0.0000000000000000, -0.0021752300000000 ]  - [  -0.0015656200000000,  0.0000000000000000,  0.0015678500000000 ]  - [   0.0003381600000000,  0.0000015700000000, -0.0002990000000000 ]  - [  -0.0001806400000000, -0.0002842800000000, -0.0004904400000000 ]  - [  -0.0001816600000000,  0.0002827700000000, -0.0001136800000000 ]  - [   0.0003381600000000, -0.0000015700000000, -0.0002990000000000 ]  - [  -0.0001806400000000,  0.0002842800000000, -0.0004904400000000 ]  - [  -0.0001816600000000, -0.0002827700000000, -0.0001136800000000 ]  - [   0.0001336000000000, -0.0000531800000000, -0.0001336000000000 ]  - [  -0.0002484400000000, -0.0000003300000000,  0.0003007100000000 ]  - [   0.0001312100000000,  0.0000540300000000,  0.0007363900000000 ]  - [   0.0000579100000000,  0.0000000000000000,  0.0002411100000000 ]  - [  -0.0001130100000000,  0.0000000000000000,  0.0003012300000000 ]  - [   0.0000573300000000,  0.0000000000000000,  0.0003621200000000 ]  - [   0.0001336000000000,  0.0000531800000000, -0.0001336000000000 ]  - [  -0.0002484400000000,  0.0000003300000000,  0.0003007100000000 ]  - [   0.0001312100000000, -0.0000540300000000,  0.0007363900000000 ]  - [   0.0004384600000000,  0.0000006600000000,  0.0000000000000000 ]  - [  -0.0002161600000000, -0.0000575800000000,  0.0000000000000000 ]  - [  -0.0002177000000000,  0.0000573800000000,  0.0000000000000000 ]  - [   0.0002096300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001032700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001043500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004384600000000, -0.0000006600000000,  0.0000000000000000 ]  - [  -0.0002161600000000,  0.0000575800000000,  0.0000000000000000 ]  - [  -0.0002177000000000, -0.0000573800000000,  0.0000000000000000 ]  - [   0.0004808500000000, -0.0000511300000000,  0.0000000000000000 ]  - [  -0.0011826800000000, -0.0021666500000000,  0.0000000000000000 ]  - [  -0.0011785500000000,  0.0021592000000000,  0.0000000000000000 ]  - [   0.0002364500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000985300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001001000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004808500000000,  0.0000511300000000,  0.0000000000000000 ]  - [  -0.0011826800000000,  0.0021666500000000,  0.0000000000000000 ]  - [  -0.0011785500000000, -0.0021592000000000,  0.0000000000000000 ]  - [   0.0001336000000000, -0.0000531800000000,  0.0001336000000000 ]  - [  -0.0002484400000000, -0.0000003300000000, -0.0003007100000000 ]  - [   0.0001312100000000,  0.0000540300000000, -0.0007363900000000 ]  - [   0.0000579100000000,  0.0000000000000000, -0.0002411100000000 ]  - [  -0.0001130100000000,  0.0000000000000000, -0.0003012300000000 ]  - [   0.0000573300000000,  0.0000000000000000, -0.0003621200000000 ]  - [   0.0001336000000000,  0.0000531800000000,  0.0001336000000000 ]  - [  -0.0002484400000000,  0.0000003300000000, -0.0003007100000000 ]  - [   0.0001312100000000, -0.0000540300000000, -0.0007363900000000 ]  - [   0.0022476900000000,  0.0000000000000000,  0.0003556900000000 ]  - [  -0.0015699100000000,  0.0000000000000000,  0.0021752300000000 ]  - [  -0.0015656200000000,  0.0000000000000000, -0.0015678500000000 ]  - [   0.0003381600000000,  0.0000015700000000,  0.0002990000000000 ]  - [  -0.0001806400000000, -0.0002842800000000,  0.0004904400000000 ]  - [  -0.0001816600000000,  0.0002827700000000,  0.0001136800000000 ]  - [   0.0003381600000000, -0.0000015700000000,  0.0002990000000000 ]  - [  -0.0001806400000000,  0.0002842800000000,  0.0004904400000000 ]  - [  -0.0001816600000000, -0.0002827700000000,  0.0001136800000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0028994700000000 ]  - [   0.0002644200000000,  0.0000000000000000, -0.0000982300000000 ]  - [  -0.0002644200000000,  0.0000000000000000, -0.0000982300000000 ]  - [   0.0000000000000000,  0.0002644200000000, -0.0000982300000000 ]  - [   0.0000928900000000,  0.0000928900000000, -0.0002392100000000 ]  - [  -0.0000928900000000,  0.0000928900000000, -0.0002392100000000 ]  - [   0.0000000000000000, -0.0002644200000000, -0.0000982300000000 ]  - [   0.0000928900000000, -0.0000928900000000, -0.0002392100000000 ]  - [  -0.0000928900000000, -0.0000928900000000, -0.0002392100000000 ]  - [   0.0017757100000000,  0.0017757100000000, -0.0001338900000000 ]  - [   0.0000000000000000,  0.0000442100000000,  0.0002545800000000 ]  - [  -0.0017757100000000,  0.0017757100000000, -0.0001338900000000 ]  - [   0.0000442100000000,  0.0000000000000000,  0.0002545800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002879300000000 ]  - [  -0.0000442100000000,  0.0000000000000000,  0.0002545800000000 ]  - [   0.0017757100000000, -0.0017757100000000, -0.0001338900000000 ]  - [   0.0000000000000000, -0.0000442100000000,  0.0002545800000000 ]  - [  -0.0017757100000000, -0.0017757100000000, -0.0001338900000000 ]  - [  -0.0017672000000000, -0.0017672000000000, -0.0008074200000000 ]  - [   0.0000000000000000, -0.0000445900000000, -0.0004252100000000 ]  - [   0.0017672000000000, -0.0017672000000000, -0.0008074200000000 ]  - [  -0.0000445900000000,  0.0000000000000000, -0.0004252100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003924100000000 ]  - [   0.0000445900000000,  0.0000000000000000, -0.0004252100000000 ]  - [  -0.0017672000000000,  0.0017672000000000, -0.0008074200000000 ]  - [   0.0000000000000000,  0.0000445900000000, -0.0004252100000000 ]  - [   0.0017672000000000,  0.0017672000000000, -0.0008074200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035688500000000 ]  - [  -0.0002628700000000,  0.0000000000000000,  0.0005838100000000 ]  - [   0.0002628700000000,  0.0000000000000000,  0.0005838100000000 ]  - [   0.0000000000000000, -0.0002628700000000,  0.0005838100000000 ]  - [  -0.0000923300000000, -0.0000923300000000,  0.0004426300000000 ]  - [   0.0000923300000000, -0.0000923300000000,  0.0004426300000000 ]  - [   0.0000000000000000,  0.0002628700000000,  0.0005838100000000 ]  - [  -0.0000923300000000,  0.0000923300000000,  0.0004426300000000 ]  - [   0.0000923300000000,  0.0000923300000000,  0.0004426300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0646402400000000 ]  - [  -0.0000101600000000,  0.0000000000000000, -0.0003995000000000 ]  - [   0.0000101600000000,  0.0000000000000000, -0.0003995000000000 ]  - [   0.0000000000000000, -0.0000101600000000, -0.0003995000000000 ]  - [  -0.0000006600000000, -0.0000006600000000, -0.0003176100000000 ]  - [   0.0000006600000000, -0.0000006600000000, -0.0003176100000000 ]  - [   0.0000000000000000,  0.0000101600000000, -0.0003995000000000 ]  - [  -0.0000006600000000,  0.0000006600000000, -0.0003176100000000 ]  - [   0.0000006600000000,  0.0000006600000000, -0.0003176100000000 ]  - [   0.0000007000000000,  0.0000007000000000,  0.0013685700000000 ]  - [   0.0000000000000000,  0.0000001100000000,  0.0001863600000000 ]  - [  -0.0000007000000000,  0.0000007000000000,  0.0013685700000000 ]  - [   0.0000001100000000,  0.0000000000000000,  0.0001863600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001269800000000 ]  - [  -0.0000001100000000,  0.0000000000000000,  0.0001863600000000 ]  - [   0.0000007000000000, -0.0000007000000000,  0.0013685700000000 ]  - [   0.0000000000000000, -0.0000001100000000,  0.0001863600000000 ]  - [  -0.0000007000000000, -0.0000007000000000,  0.0013685700000000 ]  - [  -0.0000549100000000,  0.0000000000000000,  0.0002423200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001754700000000 ]  - [   0.0000549100000000,  0.0000000000000000,  0.0002423200000000 ]  - [   0.0000024200000000,  0.0000006100000000,  0.0002649000000000 ]  - [   0.0000000000000000,  0.0000002300000000,  0.0000867000000000 ]  - [  -0.0000024200000000,  0.0000006100000000,  0.0002649000000000 ]  - [   0.0000024200000000, -0.0000006100000000,  0.0002649000000000 ]  - [   0.0000000000000000, -0.0000002300000000,  0.0000867000000000 ]  - [  -0.0000024200000000, -0.0000006100000000,  0.0002649000000000 ]  - [  -0.0000006000000000,  0.0000000000000000, -0.0006280100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001037400000000 ]  - [   0.0000006000000000,  0.0000000000000000, -0.0006280100000000 ]  - [  -0.0000000700000000, -0.0000012700000000, -0.0002161800000000 ]  - [   0.0000000000000000, -0.0000002100000000, -0.0000663200000000 ]  - [   0.0000000700000000, -0.0000012700000000, -0.0002161800000000 ]  - [  -0.0000000700000000,  0.0000012700000000, -0.0002161800000000 ]  - [   0.0000000000000000,  0.0000002100000000, -0.0000663200000000 ]  - [   0.0000000700000000,  0.0000012700000000, -0.0002161800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0308807000000000 ]  - [  -0.0002310400000000,  0.0000000000000000,  0.0002591800000000 ]  - [   0.0002310400000000,  0.0000000000000000,  0.0002591800000000 ]  - [   0.0000000000000000, -0.0002310400000000,  0.0002591800000000 ]  - [  -0.0001129000000000, -0.0001129000000000, -0.0001633000000000 ]  - [   0.0001129000000000, -0.0001129000000000, -0.0001633000000000 ]  - [   0.0000000000000000,  0.0002310400000000,  0.0002591800000000 ]  - [  -0.0001129000000000,  0.0001129000000000, -0.0001633000000000 ]  - [   0.0001129000000000,  0.0001129000000000, -0.0001633000000000 ]  - [  -0.0004015400000000, -0.0004015400000000, -0.0006489600000000 ]  - [   0.0000000000000000, -0.0000211100000000,  0.0001766400000000 ]  - [   0.0004015400000000, -0.0004015400000000, -0.0006489600000000 ]  - [  -0.0000211100000000,  0.0000000000000000,  0.0001766400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002308600000000 ]  - [   0.0000211100000000,  0.0000000000000000,  0.0001766400000000 ]  - [  -0.0004015400000000,  0.0004015400000000, -0.0006489600000000 ]  - [   0.0000000000000000,  0.0000211100000000,  0.0001766400000000 ]  - [   0.0004015400000000,  0.0004015400000000, -0.0006489600000000 ]  - [   0.0000000000000000, -0.0000006000000000, -0.0006280100000000 ]  - [  -0.0000012700000000, -0.0000000700000000, -0.0002161800000000 ]  - [   0.0000012700000000, -0.0000000700000000, -0.0002161800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001037400000000 ]  - [  -0.0000002100000000,  0.0000000000000000, -0.0000663200000000 ]  - [   0.0000002100000000,  0.0000000000000000, -0.0000663200000000 ]  - [   0.0000000000000000,  0.0000006000000000, -0.0006280100000000 ]  - [  -0.0000012700000000,  0.0000000700000000, -0.0002161800000000 ]  - [   0.0000012700000000,  0.0000000700000000, -0.0002161800000000 ]  - [   0.0000000000000000, -0.0000549100000000,  0.0002423200000000 ]  - [   0.0000006100000000,  0.0000024200000000,  0.0002649000000000 ]  - [  -0.0000006100000000,  0.0000024200000000,  0.0002649000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001754700000000 ]  - [   0.0000002300000000,  0.0000000000000000,  0.0000867000000000 ]  - [  -0.0000002300000000,  0.0000000000000000,  0.0000867000000000 ]  - [   0.0000000000000000,  0.0000549100000000,  0.0002423200000000 ]  - [   0.0000006100000000, -0.0000024200000000,  0.0002649000000000 ]  - [  -0.0000006100000000, -0.0000024200000000,  0.0002649000000000 ]  - [   0.0003994900000000,  0.0003994900000000, -0.0012485300000000 ]  - [   0.0000000000000000,  0.0000209300000000, -0.0004260500000000 ]  - [  -0.0003994900000000,  0.0003994900000000, -0.0012485300000000 ]  - [   0.0000209300000000,  0.0000000000000000, -0.0004260500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003713600000000 ]  - [  -0.0000209300000000,  0.0000000000000000, -0.0004260500000000 ]  - [   0.0003994900000000, -0.0003994900000000, -0.0012485300000000 ]  - [   0.0000000000000000, -0.0000209300000000, -0.0004260500000000 ]  - [  -0.0003994900000000, -0.0003994900000000, -0.0012485300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0297253100000000 ]  - [   0.0002312900000000,  0.0000000000000000,  0.0008528300000000 ]  - [  -0.0002312900000000,  0.0000000000000000,  0.0008528300000000 ]  - [   0.0000000000000000,  0.0002312900000000,  0.0008528300000000 ]  - [   0.0001126100000000,  0.0001126100000000,  0.0004362900000000 ]  - [  -0.0001126100000000,  0.0001126100000000,  0.0004362900000000 ]  - [   0.0000000000000000, -0.0002312900000000,  0.0008528300000000 ]  - [   0.0001126100000000, -0.0001126100000000,  0.0004362900000000 ]  - [  -0.0001126100000000, -0.0001126100000000,  0.0004362900000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002208800000000,  0.0000000000000000,  0.0004735600000000 ]  - [   0.0002218800000000,  0.0000000000000000, -0.0011562400000000 ]  - [  -0.0003495000000000,  0.0000000000000000, -0.0003403500000000 ]  - [   0.0001008900000000,  0.0000668600000000, -0.0001989300000000 ]  - [   0.0001012700000000, -0.0000668100000000, -0.0004823000000000 ]  - [  -0.0002024800000000, -0.0000000600000000, -0.0003406700000000 ]  - [   0.0001008900000000, -0.0000668600000000, -0.0001989300000000 ]  - [   0.0001012700000000,  0.0000668100000000, -0.0004823000000000 ]  - [  -0.0002024800000000,  0.0000000600000000, -0.0003406700000000 ]  - [   0.0017598400000000,  0.0000031400000000,  0.0003442800000000 ]  - [  -0.0008185000000000, -0.0004006000000000,  0.0001055500000000 ]  - [  -0.0008172100000000,  0.0004012200000000,  0.0005772700000000 ]  - [   0.0004137900000000,  0.0000000000000000,  0.0003409000000000 ]  - [  -0.0002047700000000,  0.0000000000000000,  0.0002560500000000 ]  - [  -0.0002048500000000,  0.0000000000000000,  0.0004252600000000 ]  - [   0.0017598400000000, -0.0000031400000000,  0.0003442800000000 ]  - [  -0.0008185000000000,  0.0004006000000000,  0.0001055500000000 ]  - [  -0.0008172100000000, -0.0004012200000000,  0.0005772700000000 ]  - [   0.0017598400000000,  0.0000031400000000, -0.0003442800000000 ]  - [  -0.0008185000000000, -0.0004006000000000, -0.0001055500000000 ]  - [  -0.0008172100000000,  0.0004012200000000, -0.0005772700000000 ]  - [   0.0004137900000000,  0.0000000000000000, -0.0003409000000000 ]  - [  -0.0002047700000000,  0.0000000000000000, -0.0002560500000000 ]  - [  -0.0002048500000000,  0.0000000000000000, -0.0004252600000000 ]  - [   0.0017598400000000, -0.0000031400000000, -0.0003442800000000 ]  - [  -0.0008185000000000,  0.0004006000000000, -0.0001055500000000 ]  - [  -0.0008172100000000, -0.0004012200000000, -0.0005772700000000 ]  - [   0.0002208800000000,  0.0000000000000000, -0.0004735600000000 ]  - [   0.0002218800000000,  0.0000000000000000,  0.0011562400000000 ]  - [  -0.0003495000000000,  0.0000000000000000,  0.0003403500000000 ]  - [   0.0001008900000000,  0.0000668600000000,  0.0001989300000000 ]  - [   0.0001012700000000, -0.0000668100000000,  0.0004823000000000 ]  - [  -0.0002024800000000, -0.0000000600000000,  0.0003406700000000 ]  - [   0.0001008900000000, -0.0000668600000000,  0.0001989300000000 ]  - [   0.0001012700000000,  0.0000668100000000,  0.0004823000000000 ]  - [  -0.0002024800000000,  0.0000000600000000,  0.0003406700000000 ]  - [   0.0222122200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0238068400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0019229800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006351100000000,  0.0021594300000000,  0.0000000000000000 ]  - [   0.0006381700000000, -0.0021664900000000,  0.0000000000000000 ]  - [  -0.0010294400000000,  0.0000011600000000,  0.0000000000000000 ]  - [   0.0006351100000000, -0.0021594300000000,  0.0000000000000000 ]  - [   0.0006381700000000,  0.0021664900000000,  0.0000000000000000 ]  - [  -0.0010294400000000, -0.0000011600000000,  0.0000000000000000 ]  - [   0.0004378000000000, -0.0000002300000000,  0.0000000000000000 ]  - [  -0.0002176300000000, -0.0001123400000000,  0.0000000000000000 ]  - [  -0.0002168400000000,  0.0001120600000000,  0.0000000000000000 ]  - [   0.0002077300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001045200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001043800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004378000000000,  0.0000002300000000,  0.0000000000000000 ]  - [  -0.0002176300000000,  0.0001123400000000,  0.0000000000000000 ]  - [  -0.0002168400000000, -0.0001120600000000,  0.0000000000000000 ]  - [  -0.0732513200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007159700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007531000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014193500000000, -0.0000012200000000,  0.0000000000000000 ]  - [   0.0009152000000000,  0.0003771100000000,  0.0000000000000000 ]  - [   0.0009120100000000, -0.0003764500000000,  0.0000000000000000 ]  - [  -0.0014193500000000,  0.0000012200000000,  0.0000000000000000 ]  - [   0.0009152000000000, -0.0003771100000000,  0.0000000000000000 ]  - [   0.0009120100000000,  0.0003764500000000,  0.0000000000000000 ]  - [  -0.0003804800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001805900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001799200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001352600000000, -0.0000003800000000,  0.0000000000000000 ]  - [   0.0000672200000000,  0.0001119500000000,  0.0000000000000000 ]  - [   0.0000672900000000, -0.0001119800000000,  0.0000000000000000 ]  - [  -0.0001352600000000,  0.0000003800000000,  0.0000000000000000 ]  - [   0.0000672200000000, -0.0001119500000000,  0.0000000000000000 ]  - [   0.0000672900000000,  0.0001119800000000,  0.0000000000000000 ]  - [   0.0034497800000000,  0.0000000000000000, -0.0076538600000000 ]  - [   0.0034807900000000,  0.0000000000000000,  0.0071578600000000 ]  - [   0.0006682400000000,  0.0000000000000000, -0.0003033100000000 ]  - [  -0.0001893700000000, -0.0003903100000000, -0.0007730500000000 ]  - [  -0.0001907500000000,  0.0003903500000000,  0.0001726300000000 ]  - [   0.0003363300000000, -0.0000002600000000, -0.0003017500000000 ]  - [  -0.0001893700000000,  0.0003903100000000, -0.0007730500000000 ]  - [  -0.0001907500000000, -0.0003903500000000,  0.0001726300000000 ]  - [   0.0003363300000000,  0.0000002600000000, -0.0003017500000000 ]  - [  -0.0003775300000000,  0.0000002600000000,  0.0002998400000000 ]  - [   0.0002022400000000,  0.0001334000000000,  0.0006421000000000 ]  - [   0.0002018000000000, -0.0001330000000000, -0.0000389000000000 ]  - [  -0.0001554600000000,  0.0000000000000000,  0.0003014400000000 ]  - [   0.0000771200000000,  0.0000000000000000,  0.0003862100000000 ]  - [   0.0000772700000000,  0.0000000000000000,  0.0002166400000000 ]  - [  -0.0003775300000000, -0.0000002600000000,  0.0002998400000000 ]  - [   0.0002022400000000, -0.0001334000000000,  0.0006421000000000 ]  - [   0.0002018000000000,  0.0001330000000000, -0.0000389000000000 ]  - [  -0.0002344400000000, -0.0001148600000000,  0.0000000000000000 ]  - [  -0.0002355000000000,  0.0001154200000000,  0.0000000000000000 ]  - [   0.0004785000000000, -0.0000001000000000,  0.0000000000000000 ]  - [  -0.0001281700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001286900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002574300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002344400000000,  0.0001148600000000,  0.0000000000000000 ]  - [  -0.0002355000000000, -0.0001154200000000,  0.0000000000000000 ]  - [   0.0004785000000000,  0.0000001000000000,  0.0000000000000000 ]  - [   0.0023410500000000, -0.0069428000000000,  0.0000000000000000 ]  - [   0.0023605200000000,  0.0070276500000000,  0.0000000000000000 ]  - [   0.0005700400000000, -0.0000018100000000,  0.0000000000000000 ]  - [  -0.0001561200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001566300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003341100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023410500000000,  0.0069428000000000,  0.0000000000000000 ]  - [   0.0023605200000000, -0.0070276500000000,  0.0000000000000000 ]  - [   0.0005700400000000,  0.0000018100000000,  0.0000000000000000 ]  - [  -0.0003775300000000,  0.0000002600000000, -0.0002998400000000 ]  - [   0.0002022400000000,  0.0001334000000000, -0.0006421000000000 ]  - [   0.0002018000000000, -0.0001330000000000,  0.0000389000000000 ]  - [  -0.0001554600000000,  0.0000000000000000, -0.0003014400000000 ]  - [   0.0000771200000000,  0.0000000000000000, -0.0003862100000000 ]  - [   0.0000772700000000,  0.0000000000000000, -0.0002166400000000 ]  - [  -0.0003775300000000, -0.0000002600000000, -0.0002998400000000 ]  - [   0.0002022400000000, -0.0001334000000000, -0.0006421000000000 ]  - [   0.0002018000000000,  0.0001330000000000,  0.0000389000000000 ]  - [   0.0034497800000000,  0.0000000000000000,  0.0076538600000000 ]  - [   0.0034807900000000,  0.0000000000000000, -0.0071578600000000 ]  - [   0.0006682400000000,  0.0000000000000000,  0.0003033100000000 ]  - [  -0.0001893700000000, -0.0003903100000000,  0.0007730500000000 ]  - [  -0.0001907500000000,  0.0003903500000000, -0.0001726300000000 ]  - [   0.0003363300000000, -0.0000002600000000,  0.0003017500000000 ]  - [  -0.0001893700000000,  0.0003903100000000,  0.0007730500000000 ]  - [  -0.0001907500000000, -0.0003903500000000, -0.0001726300000000 ]  - [   0.0003363300000000,  0.0000002600000000,  0.0003017500000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000002600000000,  0.0001462900000000, -0.0003398300000000 ]  - [  -0.0000002600000000,  0.0001462900000000, -0.0003398300000000 ]  - [   0.0000000000000000,  0.0000659400000000, -0.0003406100000000 ]  - [   0.0000461900000000, -0.0000759900000000, -0.0004458500000000 ]  - [  -0.0000461900000000, -0.0000759900000000, -0.0004458500000000 ]  - [   0.0000000000000000, -0.0000325800000000, -0.0003703500000000 ]  - [  -0.0000457800000000, -0.0000761900000000, -0.0002359100000000 ]  - [   0.0000457800000000, -0.0000761900000000, -0.0002359100000000 ]  - [   0.0000000000000000, -0.0000328400000000, -0.0003112000000000 ]  - [   0.0000000000000000,  0.0018285400000000,  0.0011163900000000 ]  - [  -0.0001988700000000,  0.0001225600000000,  0.0001731900000000 ]  - [   0.0001988700000000,  0.0001225600000000,  0.0001731900000000 ]  - [   0.0000000000000000, -0.0004080500000000,  0.0003405700000000 ]  - [  -0.0000001800000000, -0.0002170100000000,  0.0003406700000000 ]  - [   0.0000001800000000, -0.0002170100000000,  0.0003406700000000 ]  - [   0.0000000000000000,  0.0017490100000000, -0.0003595800000000 ]  - [   0.0001991900000000,  0.0001211600000000,  0.0005077500000000 ]  - [  -0.0001991900000000,  0.0001211600000000,  0.0005077500000000 ]  - [   0.0000000000000000,  0.0018285400000000, -0.0011163900000000 ]  - [  -0.0001988700000000,  0.0001225600000000, -0.0001731900000000 ]  - [   0.0001988700000000,  0.0001225600000000, -0.0001731900000000 ]  - [   0.0000000000000000, -0.0004080500000000, -0.0003405700000000 ]  - [  -0.0000001800000000, -0.0002170100000000, -0.0003406700000000 ]  - [   0.0000001800000000, -0.0002170100000000, -0.0003406700000000 ]  - [   0.0000000000000000,  0.0017490100000000,  0.0003595800000000 ]  - [   0.0001991900000000,  0.0001211600000000, -0.0005077500000000 ]  - [  -0.0001991900000000,  0.0001211600000000, -0.0005077500000000 ]  - [   0.0000002600000000,  0.0001462900000000,  0.0003398300000000 ]  - [  -0.0000002600000000,  0.0001462900000000,  0.0003398300000000 ]  - [   0.0000000000000000,  0.0000659400000000,  0.0003406100000000 ]  - [   0.0000461900000000, -0.0000759900000000,  0.0004458500000000 ]  - [  -0.0000461900000000, -0.0000759900000000,  0.0004458500000000 ]  - [   0.0000000000000000, -0.0000325800000000,  0.0003703500000000 ]  - [  -0.0000457800000000, -0.0000761900000000,  0.0002359100000000 ]  - [   0.0000457800000000, -0.0000761900000000,  0.0002359100000000 ]  - [   0.0000000000000000, -0.0000328400000000,  0.0003112000000000 ]  - [   0.0000627600000000,  0.0004809600000000,  0.0000000000000000 ]  - [  -0.0000627600000000,  0.0004809600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002363100000000,  0.0000000000000000 ]  - [   0.0002379400000000, -0.0011815200000000,  0.0000000000000000 ]  - [  -0.0002379400000000, -0.0011815200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000992300000000,  0.0000000000000000 ]  - [  -0.0002369300000000, -0.0011819700000000,  0.0000000000000000 ]  - [   0.0002369300000000, -0.0011819700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001001800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001063500000000,  0.0000000000000000 ]  - [  -0.0000578700000000,  0.0000510700000000,  0.0000000000000000 ]  - [   0.0000578700000000,  0.0000510700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002142500000000,  0.0000000000000000 ]  - [  -0.0000003000000000, -0.0001016800000000,  0.0000000000000000 ]  - [   0.0000003000000000, -0.0001016800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001059900000000,  0.0000000000000000 ]  - [   0.0000574000000000,  0.0000506500000000,  0.0000000000000000 ]  - [  -0.0000574000000000,  0.0000506500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0128026000000000,  0.0000000000000000 ]  - [   0.0000009800000000, -0.0002812400000000,  0.0000000000000000 ]  - [  -0.0000009800000000, -0.0002812400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005454300000000,  0.0000000000000000 ]  - [   0.0003774500000000,  0.0002147300000000,  0.0000000000000000 ]  - [  -0.0003774500000000,  0.0002147300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005452300000000,  0.0000000000000000 ]  - [  -0.0003765500000000,  0.0002146600000000,  0.0000000000000000 ]  - [   0.0003765500000000,  0.0002146600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003804200000000,  0.0000000000000000 ]  - [   0.0000000300000000, -0.0001347700000000,  0.0000000000000000 ]  - [  -0.0000000300000000, -0.0001347700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001801600000000,  0.0000000000000000 ]  - [   0.0000184400000000,  0.0000667700000000,  0.0000000000000000 ]  - [  -0.0000184400000000,  0.0000667700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001803000000000,  0.0000000000000000 ]  - [  -0.0000182900000000,  0.0000674800000000,  0.0000000000000000 ]  - [   0.0000182900000000,  0.0000674800000000,  0.0000000000000000 ]  - [   0.0000068100000000, -0.0010323400000000, -0.0003099400000000 ]  - [  -0.0000068100000000, -0.0010323400000000, -0.0003099400000000 ]  - [   0.0000000000000000, -0.0001054700000000, -0.0003012400000000 ]  - [  -0.0001430500000000,  0.0002980800000000, -0.0001275400000000 ]  - [   0.0001430500000000,  0.0002980800000000, -0.0001275400000000 ]  - [   0.0000000000000000,  0.0000515200000000, -0.0002379400000000 ]  - [   0.0001421100000000,  0.0002981400000000, -0.0004756400000000 ]  - [  -0.0001421100000000,  0.0002981400000000, -0.0004756400000000 ]  - [   0.0000000000000000,  0.0000518700000000, -0.0003647500000000 ]  - [   0.0000000000000000, -0.0000801900000000,  0.0008058900000000 ]  - [   0.0000244400000000, -0.0000361000000000,  0.0003628100000000 ]  - [  -0.0000244400000000, -0.0000361000000000,  0.0003628100000000 ]  - [   0.0000000000000000,  0.0001251000000000,  0.0003014500000000 ]  - [   0.0000000100000000,  0.0000694800000000,  0.0003013400000000 ]  - [  -0.0000000100000000,  0.0000694800000000,  0.0003013400000000 ]  - [   0.0000000000000000, -0.0000792700000000, -0.0002007000000000 ]  - [  -0.0000244600000000, -0.0000356700000000,  0.0002395300000000 ]  - [   0.0000244600000000, -0.0000356700000000,  0.0002395300000000 ]  - [  -0.0001158300000000, -0.0000370400000000,  0.0000000000000000 ]  - [   0.0001158300000000, -0.0000370400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000199600000000,  0.0000000000000000 ]  - [  -0.0000002400000000,  0.0000757500000000,  0.0000000000000000 ]  - [   0.0000002400000000,  0.0000757500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000398500000000,  0.0000000000000000 ]  - [   0.0001147000000000, -0.0000366400000000,  0.0000000000000000 ]  - [  -0.0001147000000000, -0.0000366400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000196600000000,  0.0000000000000000 ]  - [  -0.0025095000000000,  0.0023565700000000,  0.0000000000000000 ]  - [   0.0025095000000000,  0.0023565700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001567200000000,  0.0000000000000000 ]  - [  -0.0000001300000000,  0.0005705200000000,  0.0000000000000000 ]  - [   0.0000001300000000,  0.0005705200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003343900000000,  0.0000000000000000 ]  - [   0.0024795800000000,  0.0023447800000000,  0.0000000000000000 ]  - [  -0.0024795800000000,  0.0023447800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001561100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000801900000000, -0.0008058900000000 ]  - [   0.0000244400000000, -0.0000361000000000, -0.0003628100000000 ]  - [  -0.0000244400000000, -0.0000361000000000, -0.0003628100000000 ]  - [   0.0000000000000000,  0.0001251000000000, -0.0003014500000000 ]  - [   0.0000000100000000,  0.0000694800000000, -0.0003013400000000 ]  - [  -0.0000000100000000,  0.0000694800000000, -0.0003013400000000 ]  - [   0.0000000000000000, -0.0000792700000000,  0.0002007000000000 ]  - [  -0.0000244600000000, -0.0000356700000000, -0.0002395300000000 ]  - [   0.0000244600000000, -0.0000356700000000, -0.0002395300000000 ]  - [   0.0000068100000000, -0.0010323400000000,  0.0003099400000000 ]  - [  -0.0000068100000000, -0.0010323400000000,  0.0003099400000000 ]  - [   0.0000000000000000, -0.0001054700000000,  0.0003012400000000 ]  - [  -0.0001430500000000,  0.0002980800000000,  0.0001275400000000 ]  - [   0.0001430500000000,  0.0002980800000000,  0.0001275400000000 ]  - [   0.0000000000000000,  0.0000515200000000,  0.0002379400000000 ]  - [   0.0001421100000000,  0.0002981400000000,  0.0004756400000000 ]  - [  -0.0001421100000000,  0.0002981400000000,  0.0004756400000000 ]  - [   0.0000000000000000,  0.0000518700000000,  0.0003647500000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000639500000000,  0.0000000000000000, -0.0007952200000000 ]  - [  -0.0000639500000000,  0.0000000000000000, -0.0007952200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004107200000000 ]  - [   0.0000386400000000, -0.0000616200000000, -0.0004257000000000 ]  - [  -0.0000386400000000, -0.0000616200000000, -0.0004257000000000 ]  - [   0.0000000000000000, -0.0000225200000000, -0.0003701000000000 ]  - [   0.0000386400000000,  0.0000616200000000, -0.0004257000000000 ]  - [  -0.0000386400000000,  0.0000616200000000, -0.0004257000000000 ]  - [   0.0000000000000000,  0.0000225200000000, -0.0003701000000000 ]  - [   0.0000000000000000,  0.0009658700000000,  0.0019268800000000 ]  - [  -0.0001709400000000, -0.0001686300000000,  0.0004607800000000 ]  - [   0.0001709400000000, -0.0001686300000000,  0.0004607800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003944900000000 ]  - [  -0.0000275800000000,  0.0000000000000000,  0.0003702500000000 ]  - [   0.0000275800000000,  0.0000000000000000,  0.0003702500000000 ]  - [   0.0000000000000000, -0.0009658700000000,  0.0019268800000000 ]  - [  -0.0001709400000000,  0.0001686300000000,  0.0004607800000000 ]  - [   0.0001709400000000,  0.0001686300000000,  0.0004607800000000 ]  - [   0.0000000000000000, -0.0008999500000000,  0.0012006100000000 ]  - [   0.0001712800000000,  0.0001682200000000, -0.0002201700000000 ]  - [  -0.0001712800000000,  0.0001682200000000, -0.0002201700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002859400000000 ]  - [   0.0000275100000000,  0.0000000000000000, -0.0003101900000000 ]  - [  -0.0000275100000000,  0.0000000000000000, -0.0003101900000000 ]  - [   0.0000000000000000,  0.0008999500000000,  0.0012006100000000 ]  - [   0.0001712800000000, -0.0001682200000000, -0.0002201700000000 ]  - [  -0.0001712800000000, -0.0001682200000000, -0.0002201700000000 ]  - [  -0.0000636500000000,  0.0000000000000000, -0.0001149800000000 ]  - [   0.0000636500000000,  0.0000000000000000, -0.0001149800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002693100000000 ]  - [  -0.0000384000000000,  0.0000614600000000,  0.0002543600000000 ]  - [   0.0000384000000000,  0.0000614600000000,  0.0002543600000000 ]  - [   0.0000000000000000,  0.0000224600000000,  0.0003099100000000 ]  - [  -0.0000384000000000, -0.0000614600000000,  0.0002543600000000 ]  - [   0.0000384000000000, -0.0000614600000000,  0.0002543600000000 ]  - [   0.0000000000000000, -0.0000224600000000,  0.0003099100000000 ]  - [   0.0000684400000000,  0.0000000000000000,  0.0002434900000000 ]  - [  -0.0000684400000000,  0.0000000000000000,  0.0002434900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001754300000000 ]  - [   0.0000002800000000,  0.0000016800000000,  0.0002654900000000 ]  - [  -0.0000002800000000,  0.0000016800000000,  0.0002654900000000 ]  - [   0.0000000000000000,  0.0000000200000000,  0.0000869800000000 ]  - [   0.0000002800000000, -0.0000016800000000,  0.0002654900000000 ]  - [  -0.0000002800000000, -0.0000016800000000,  0.0002654900000000 ]  - [   0.0000000000000000, -0.0000000200000000,  0.0000869800000000 ]  - [   0.0000000000000000, -0.0000000500000000, -0.0006275000000000 ]  - [  -0.0000005900000000,  0.0000000100000000, -0.0002155000000000 ]  - [   0.0000005900000000,  0.0000000100000000, -0.0002155000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001033200000000 ]  - [  -0.0000002200000000,  0.0000000000000000, -0.0000659800000000 ]  - [   0.0000002200000000,  0.0000000000000000, -0.0000659800000000 ]  - [   0.0000000000000000,  0.0000000500000000, -0.0006275000000000 ]  - [  -0.0000005900000000, -0.0000000100000000, -0.0002155000000000 ]  - [   0.0000005900000000, -0.0000000100000000, -0.0002155000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0119877700000000 ]  - [   0.0000015700000000,  0.0000000000000000, -0.0002912000000000 ]  - [  -0.0000015700000000,  0.0000000000000000, -0.0002912000000000 ]  - [   0.0000000000000000, -0.0000003300000000, -0.0002401200000000 ]  - [  -0.0000004200000000, -0.0000002500000000, -0.0000641500000000 ]  - [   0.0000004200000000, -0.0000002500000000, -0.0000641500000000 ]  - [   0.0000000000000000,  0.0000003300000000, -0.0002401200000000 ]  - [  -0.0000004200000000,  0.0000002500000000, -0.0000641500000000 ]  - [   0.0000004200000000,  0.0000002500000000, -0.0000641500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002332100000000 ]  - [   0.0000000900000000,  0.0000000000000000,  0.0000992200000000 ]  - [  -0.0000000900000000,  0.0000000000000000,  0.0000992200000000 ]  - [   0.0000000000000000, -0.0000000400000000,  0.0000991500000000 ]  - [   0.0000000800000000, -0.0000001000000000,  0.0000464100000000 ]  - [  -0.0000000800000000, -0.0000001000000000,  0.0000464100000000 ]  - [   0.0000000000000000,  0.0000000400000000,  0.0000991500000000 ]  - [   0.0000000800000000,  0.0000001000000000,  0.0000464100000000 ]  - [  -0.0000000800000000,  0.0000001000000000,  0.0000464100000000 ]  - [  -0.0029790100000000,  0.0000000000000000,  0.0018034600000000 ]  - [   0.0029790100000000,  0.0000000000000000,  0.0018034600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004211400000000 ]  - [  -0.0001032900000000,  0.0001118800000000, -0.0004417200000000 ]  - [   0.0001032900000000,  0.0001118800000000, -0.0004417200000000 ]  - [   0.0000000000000000,  0.0000224700000000, -0.0003455700000000 ]  - [  -0.0001032900000000, -0.0001118800000000, -0.0004417200000000 ]  - [   0.0001032900000000, -0.0001118800000000, -0.0004417200000000 ]  - [   0.0000000000000000, -0.0000224700000000, -0.0003455700000000 ]  - [   0.0000000000000000,  0.0000918500000000,  0.0008343100000000 ]  - [   0.0000572800000000,  0.0000550600000000,  0.0004513000000000 ]  - [  -0.0000572800000000,  0.0000550600000000,  0.0004513000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003752100000000 ]  - [   0.0000103900000000,  0.0000000000000000,  0.0003445300000000 ]  - [  -0.0000103900000000,  0.0000000000000000,  0.0003445300000000 ]  - [   0.0000000000000000, -0.0000918500000000,  0.0008343100000000 ]  - [   0.0000572800000000, -0.0000550600000000,  0.0004513000000000 ]  - [  -0.0000572800000000, -0.0000550600000000,  0.0004513000000000 ]  - [  -0.0000002000000000,  0.0000000100000000,  0.0001411700000000 ]  - [   0.0000002000000000,  0.0000000100000000,  0.0001411700000000 ]  - [   0.0000000000000000, -0.0000000200000000,  0.0000616900000000 ]  - [  -0.0000001000000000,  0.0000000000000000,  0.0000392300000000 ]  - [   0.0000001000000000,  0.0000000000000000,  0.0000392300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000240300000000 ]  - [  -0.0000002000000000, -0.0000000100000000,  0.0001411700000000 ]  - [   0.0000002000000000, -0.0000000100000000,  0.0001411700000000 ]  - [   0.0000000000000000,  0.0000000200000000,  0.0000616900000000 ]  - [   0.0000046100000000, -0.0000063400000000, -0.0006831400000000 ]  - [  -0.0000046100000000, -0.0000063400000000, -0.0006831400000000 ]  - [   0.0000000000000000,  0.0000001400000000, -0.0000684900000000 ]  - [   0.0000001900000000,  0.0000000000000000, -0.0000684800000000 ]  - [  -0.0000001900000000,  0.0000000000000000, -0.0000684800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000282700000000 ]  - [   0.0000046100000000,  0.0000063400000000, -0.0006831400000000 ]  - [  -0.0000046100000000,  0.0000063400000000, -0.0006831400000000 ]  - [   0.0000000000000000, -0.0000001400000000, -0.0000684900000000 ]  - [   0.0000000000000000, -0.0000917100000000,  0.0002258900000000 ]  - [  -0.0000571300000000, -0.0000549900000000, -0.0001559500000000 ]  - [   0.0000571300000000, -0.0000549900000000, -0.0001559500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002316600000000 ]  - [  -0.0000104200000000,  0.0000000000000000, -0.0002625900000000 ]  - [   0.0000104200000000,  0.0000000000000000, -0.0002625900000000 ]  - [   0.0000000000000000,  0.0000917100000000,  0.0002258900000000 ]  - [  -0.0000571300000000,  0.0000549900000000, -0.0001559500000000 ]  - [   0.0000571300000000,  0.0000549900000000, -0.0001559500000000 ]  - [   0.0029454500000000,  0.0000000000000000,  0.0023975800000000 ]  - [  -0.0029454500000000,  0.0000000000000000,  0.0023975800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001862700000000 ]  - [   0.0001025500000000, -0.0001120000000000,  0.0001669700000000 ]  - [  -0.0001025500000000, -0.0001120000000000,  0.0001669700000000 ]  - [   0.0000000000000000, -0.0000225900000000,  0.0002623600000000 ]  - [   0.0001025500000000,  0.0001120000000000,  0.0001669700000000 ]  - [  -0.0001025500000000,  0.0001120000000000,  0.0001669700000000 ]  - [   0.0000000000000000,  0.0000225900000000,  0.0002623600000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006867400000000,  0.0000000000000000, -0.0003520900000000 ]  - [  -0.0002938100000000,  0.0000000000000000, -0.0006290900000000 ]  - [  -0.0002930100000000,  0.0000000000000000, -0.0000520100000000 ]  - [   0.0002156800000000, -0.0000000300000000, -0.0003395100000000 ]  - [  -0.0001082200000000, -0.0000768500000000, -0.0004078400000000 ]  - [  -0.0001082400000000,  0.0000765400000000, -0.0002720700000000 ]  - [   0.0002156800000000,  0.0000000300000000, -0.0003395100000000 ]  - [  -0.0001082200000000,  0.0000768500000000, -0.0004078400000000 ]  - [  -0.0001082400000000, -0.0000765400000000, -0.0002720700000000 ]  - [   0.0000163900000000, -0.0009998600000000,  0.0004985100000000 ]  - [  -0.0003949000000000, -0.0000003800000000,  0.0003400200000000 ]  - [  -0.0000084100000000,  0.0010191600000000,  0.0001799900000000 ]  - [   0.0000818300000000,  0.0000000000000000,  0.0003337400000000 ]  - [  -0.0001642100000000,  0.0000000000000000,  0.0003400400000000 ]  - [   0.0000810000000000,  0.0000000000000000,  0.0003465100000000 ]  - [   0.0000163900000000,  0.0009998600000000,  0.0004985100000000 ]  - [  -0.0003949000000000,  0.0000003800000000,  0.0003400200000000 ]  - [  -0.0000084100000000, -0.0010191600000000,  0.0001799900000000 ]  - [   0.0001441200000000, -0.0002515100000000, -0.0000992500000000 ]  - [  -0.0002570500000000, -0.0000001800000000, -0.0003397500000000 ]  - [   0.0001419100000000,  0.0002507300000000, -0.0005813400000000 ]  - [   0.0000509700000000,  0.0000000000000000, -0.0003067800000000 ]  - [  -0.0001017700000000,  0.0000000000000000, -0.0003398600000000 ]  - [   0.0000502500000000,  0.0000000000000000, -0.0003731200000000 ]  - [   0.0001441200000000,  0.0002515100000000, -0.0000992500000000 ]  - [  -0.0002570500000000,  0.0000001800000000, -0.0003397500000000 ]  - [   0.0001419100000000, -0.0002507300000000, -0.0005813400000000 ]  - [   0.0001240100000000,  0.0000000000000000,  0.0003395800000000 ]  - [  -0.0000600900000000,  0.0000000000000000,  0.0004048600000000 ]  - [  -0.0000601900000000,  0.0000000000000000,  0.0002747400000000 ]  - [   0.0000868200000000, -0.0000000500000000,  0.0003394200000000 ]  - [  -0.0000433800000000, -0.0000188900000000,  0.0003479300000000 ]  - [  -0.0000434900000000,  0.0000187400000000,  0.0003315800000000 ]  - [   0.0000868200000000,  0.0000000500000000,  0.0003394200000000 ]  - [  -0.0000433800000000,  0.0000188900000000,  0.0003479300000000 ]  - [  -0.0000434900000000, -0.0000187400000000,  0.0003315800000000 ]  - [   0.0022487900000000,  0.0000000000000000,  0.0000496700000000 ]  - [  -0.0015682100000000,  0.0000000000000000,  0.0002325300000000 ]  - [  -0.0015696200000000,  0.0000000000000000, -0.0002311300000000 ]  - [   0.0003375700000000,  0.0000047200000000,  0.0000005500000000 ]  - [  -0.0001812200000000, -0.0002841600000000,  0.0001133400000000 ]  - [  -0.0001826000000000,  0.0002832900000000, -0.0001122700000000 ]  - [   0.0003375700000000, -0.0000047200000000,  0.0000005500000000 ]  - [  -0.0001812200000000,  0.0002841600000000,  0.0001133400000000 ]  - [  -0.0001826000000000, -0.0002832900000000, -0.0001122700000000 ]  - [   0.0001320100000000, -0.0000541000000000, -0.0004014000000000 ]  - [  -0.0002492300000000, -0.0000001100000000, -0.0000004300000000 ]  - [   0.0001317600000000,  0.0000539900000000,  0.0004004300000000 ]  - [   0.0000566400000000,  0.0000000000000000, -0.0000212000000000 ]  - [  -0.0001144100000000,  0.0000000000000000, -0.0000003500000000 ]  - [   0.0000569500000000,  0.0000000000000000,  0.0000209000000000 ]  - [   0.0001320100000000,  0.0000541000000000, -0.0004014000000000 ]  - [  -0.0002492300000000,  0.0000001100000000, -0.0000004300000000 ]  - [   0.0001317600000000, -0.0000539900000000,  0.0004004300000000 ]  - [   0.0034703900000000,  0.0000000000000000, -0.0029817700000000 ]  - [   0.0006684900000000,  0.0000000000000000, -0.0000002900000000 ]  - [   0.0034600500000000,  0.0000000000000000,  0.0029428000000000 ]  - [  -0.0001917200000000,  0.0001426000000000, -0.0001033400000000 ]  - [   0.0003363900000000,  0.0000000700000000, -0.0000002000000000 ]  - [  -0.0001883600000000, -0.0001426400000000,  0.0001026100000000 ]  - [  -0.0001917200000000, -0.0001426000000000, -0.0001033400000000 ]  - [   0.0003363900000000, -0.0000000700000000, -0.0000002000000000 ]  - [  -0.0001883600000000,  0.0001426400000000,  0.0001026100000000 ]  - [  -0.0000797200000000,  0.0000000000000000,  0.0000919700000000 ]  - [   0.0001251300000000,  0.0000000000000000,  0.0000002100000000 ]  - [  -0.0000797700000000,  0.0000000000000000, -0.0000916200000000 ]  - [  -0.0000360300000000,  0.0001334600000000,  0.0000551700000000 ]  - [   0.0000694000000000, -0.0000001300000000,  0.0000001900000000 ]  - [  -0.0000357400000000, -0.0001330400000000, -0.0000549700000000 ]  - [  -0.0000360300000000, -0.0001334600000000,  0.0000551700000000 ]  - [   0.0000694000000000,  0.0000001300000000,  0.0000001900000000 ]  - [  -0.0000357400000000,  0.0001330400000000, -0.0000549700000000 ]  - [  -0.0073021100000000,  0.0000000000000000, -0.0003094600000000 ]  - [   0.0007093400000000,  0.0000000000000000, -0.0003657000000000 ]  - [   0.0007074800000000,  0.0000000000000000, -0.0002421900000000 ]  - [  -0.0003084100000000, -0.0000007600000000, -0.0003041100000000 ]  - [   0.0001728500000000,  0.0001705500000000, -0.0003196800000000 ]  - [   0.0001727900000000, -0.0001698200000000, -0.0002874200000000 ]  - [  -0.0003084100000000,  0.0000007600000000, -0.0003041100000000 ]  - [   0.0001728500000000, -0.0001705500000000, -0.0003196800000000 ]  - [   0.0001727900000000,  0.0001698200000000, -0.0002874200000000 ]  - [   0.0000233100000000,  0.0002738200000000,  0.0010349300000000 ]  - [   0.0001635800000000,  0.0000000600000000,  0.0003032200000000 ]  - [   0.0000240200000000, -0.0002729800000000, -0.0004273100000000 ]  - [  -0.0000402900000000,  0.0000000000000000,  0.0003354900000000 ]  - [   0.0000804000000000,  0.0000000000000000,  0.0003030700000000 ]  - [  -0.0000395500000000,  0.0000000000000000,  0.0002698500000000 ]  - [   0.0000233100000000, -0.0002738200000000,  0.0010349300000000 ]  - [   0.0001635800000000, -0.0000000600000000,  0.0003032200000000 ]  - [   0.0000240200000000,  0.0002729800000000, -0.0004273100000000 ]  - [  -0.0003775700000000,  0.0000000700000000,  0.0000000000000000 ]  - [   0.0002022300000000,  0.0000245000000000,  0.0000574500000000 ]  - [   0.0002018500000000, -0.0000245200000000, -0.0000571200000000 ]  - [  -0.0001552900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000768800000000,  0.0000000000000000,  0.0000105700000000 ]  - [   0.0000773700000000,  0.0000000000000000, -0.0000103100000000 ]  - [  -0.0003775700000000, -0.0000000700000000,  0.0000000000000000 ]  - [   0.0002022300000000, -0.0000245000000000,  0.0000574500000000 ]  - [   0.0002018500000000,  0.0000245200000000, -0.0000571200000000 ]  - [  -0.0010324000000000, -0.0000169600000000,  0.0000071800000000 ]  - [   0.0002980400000000,  0.0003907400000000, -0.0001123600000000 ]  - [   0.0002981600000000, -0.0003901700000000,  0.0001116400000000 ]  - [  -0.0001052800000000,  0.0000000000000000, -0.0000000400000000 ]  - [   0.0000512500000000,  0.0000000000000000, -0.0000227500000000 ]  - [   0.0000518900000000,  0.0000000000000000,  0.0000223500000000 ]  - [  -0.0010324000000000,  0.0000169600000000,  0.0000071800000000 ]  - [   0.0002980400000000, -0.0003907400000000, -0.0001123600000000 ]  - [   0.0002981600000000,  0.0003901700000000,  0.0001116400000000 ]  - [  -0.0000491500000000,  0.0000235500000000, -0.0003689800000000 ]  - [   0.0001002800000000,  0.0000000900000000, -0.0003028700000000 ]  - [  -0.0000492300000000, -0.0000232500000000, -0.0002364800000000 ]  - [  -0.0000252100000000,  0.0000000000000000, -0.0002943000000000 ]  - [   0.0000516800000000,  0.0000000000000000, -0.0003027400000000 ]  - [  -0.0000247500000000,  0.0000000000000000, -0.0003106600000000 ]  - [  -0.0000491500000000, -0.0000235500000000, -0.0003689800000000 ]  - [   0.0001002800000000, -0.0000000900000000, -0.0003028700000000 ]  - [  -0.0000492300000000,  0.0000232500000000, -0.0002364800000000 ]  - [  -0.0004978600000000,  0.0000000000000000,  0.0003005600000000 ]  - [   0.0003775900000000,  0.0000000000000000, -0.0001137500000000 ]  - [   0.0003770600000000,  0.0000000000000000,  0.0007189700000000 ]  - [  -0.0001109600000000, -0.0000010100000000,  0.0003046600000000 ]  - [   0.0000567100000000,  0.0000584300000000,  0.0002439600000000 ]  - [   0.0000569100000000, -0.0000583300000000,  0.0003623200000000 ]  - [  -0.0001109600000000,  0.0000010100000000,  0.0003046600000000 ]  - [   0.0000567100000000, -0.0000584300000000,  0.0002439600000000 ]  - [   0.0000569100000000,  0.0000583300000000,  0.0003623200000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0053823900000000 ]  - [  -0.0004744900000000,  0.0000000000000000, -0.0002660700000000 ]  - [   0.0004744900000000,  0.0000000000000000, -0.0002660700000000 ]  - [   0.0000000000000000, -0.0004744900000000, -0.0002660700000000 ]  - [  -0.0001636600000000, -0.0001636600000000, -0.0002376700000000 ]  - [   0.0001636600000000, -0.0001636600000000, -0.0002376700000000 ]  - [   0.0000000000000000,  0.0004744900000000, -0.0002660700000000 ]  - [  -0.0001636600000000,  0.0001636600000000, -0.0002376700000000 ]  - [   0.0001636600000000,  0.0001636600000000, -0.0002376700000000 ]  - [  -0.0005776700000000, -0.0005776700000000,  0.0019845800000000 ]  - [   0.0000000000000000,  0.0000215200000000,  0.0005977500000000 ]  - [   0.0005776700000000, -0.0005776700000000,  0.0019845800000000 ]  - [   0.0000215200000000,  0.0000000000000000,  0.0005977500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004953100000000 ]  - [  -0.0000215200000000,  0.0000000000000000,  0.0005977500000000 ]  - [  -0.0005776700000000,  0.0005776700000000,  0.0019845800000000 ]  - [   0.0000000000000000, -0.0000215200000000,  0.0005977500000000 ]  - [   0.0005776700000000,  0.0005776700000000,  0.0019845800000000 ]  - [   0.0002701100000000,  0.0002701100000000, -0.0008923400000000 ]  - [   0.0000000000000000,  0.0001101100000000, -0.0004856400000000 ]  - [  -0.0002701100000000,  0.0002701100000000, -0.0008923400000000 ]  - [   0.0001101100000000,  0.0000000000000000, -0.0004856400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004433700000000 ]  - [  -0.0001101100000000,  0.0000000000000000, -0.0004856400000000 ]  - [   0.0002701100000000, -0.0002701100000000, -0.0008923400000000 ]  - [   0.0000000000000000, -0.0001101100000000, -0.0004856400000000 ]  - [  -0.0002701100000000, -0.0002701100000000, -0.0008923400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004017800000000 ]  - [  -0.0001128000000000,  0.0000000000000000, -0.0000644600000000 ]  - [   0.0001128000000000,  0.0000000000000000, -0.0000644600000000 ]  - [   0.0000000000000000, -0.0001128000000000, -0.0000644600000000 ]  - [  -0.0000353900000000, -0.0000353900000000,  0.0001290100000000 ]  - [   0.0000353900000000, -0.0000353900000000,  0.0001290100000000 ]  - [   0.0000000000000000,  0.0001128000000000, -0.0000644600000000 ]  - [  -0.0000353900000000,  0.0000353900000000,  0.0001290100000000 ]  - [   0.0000353900000000,  0.0000353900000000,  0.0001290100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0293914500000000 ]  - [   0.0018697700000000,  0.0000000000000000,  0.0005546800000000 ]  - [  -0.0018697700000000,  0.0000000000000000,  0.0005546800000000 ]  - [   0.0000000000000000,  0.0018697700000000,  0.0005546800000000 ]  - [   0.0001886100000000,  0.0001886100000000,  0.0001369200000000 ]  - [  -0.0001886100000000,  0.0001886100000000,  0.0001369200000000 ]  - [   0.0000000000000000, -0.0018697700000000,  0.0005546800000000 ]  - [   0.0001886100000000, -0.0001886100000000,  0.0001369200000000 ]  - [  -0.0001886100000000, -0.0001886100000000,  0.0001369200000000 ]  - [  -0.0004369200000000, -0.0004369200000000, -0.0009494600000000 ]  - [   0.0000000000000000, -0.0000609500000000, -0.0001237300000000 ]  - [   0.0004369200000000, -0.0004369200000000, -0.0009494600000000 ]  - [  -0.0000609500000000,  0.0000000000000000, -0.0001237300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000702900000000 ]  - [   0.0000609500000000,  0.0000000000000000, -0.0001237300000000 ]  - [  -0.0004369200000000,  0.0004369200000000, -0.0009494600000000 ]  - [   0.0000000000000000,  0.0000609500000000, -0.0001237300000000 ]  - [   0.0004369200000000,  0.0004369200000000, -0.0009494600000000 ]  - [  -0.0073628600000000,  0.0000000000000000,  0.0020920400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001170100000000 ]  - [   0.0073628600000000,  0.0000000000000000,  0.0020920400000000 ]  - [  -0.0004719400000000, -0.0001745200000000, -0.0001368300000000 ]  - [   0.0000000000000000, -0.0000631400000000, -0.0000417100000000 ]  - [   0.0004719400000000, -0.0001745200000000, -0.0001368300000000 ]  - [  -0.0004719400000000,  0.0001745200000000, -0.0001368300000000 ]  - [   0.0000000000000000,  0.0000631400000000, -0.0000417100000000 ]  - [   0.0004719400000000,  0.0001745200000000, -0.0001368300000000 ]  - [   0.0005052900000000,  0.0000000000000000,  0.0005312900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000719100000000 ]  - [  -0.0005052900000000,  0.0000000000000000,  0.0005312900000000 ]  - [   0.0000617000000000,  0.0003409400000000,  0.0001477400000000 ]  - [   0.0000000000000000,  0.0000849500000000,  0.0000414700000000 ]  - [  -0.0000617000000000,  0.0003409400000000,  0.0001477400000000 ]  - [   0.0000617000000000, -0.0003409400000000,  0.0001477400000000 ]  - [   0.0000000000000000, -0.0000849500000000,  0.0000414700000000 ]  - [  -0.0000617000000000, -0.0003409400000000,  0.0001477400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0498960400000000 ]  - [   0.0000598100000000,  0.0000000000000000, -0.0012921900000000 ]  - [  -0.0000598100000000,  0.0000000000000000, -0.0012921900000000 ]  - [   0.0000000000000000,  0.0000598100000000, -0.0012921900000000 ]  - [   0.0000155800000000,  0.0000155800000000, -0.0006938100000000 ]  - [  -0.0000155800000000,  0.0000155800000000, -0.0006938100000000 ]  - [   0.0000000000000000, -0.0000598100000000, -0.0012921900000000 ]  - [   0.0000155800000000, -0.0000155800000000, -0.0006938100000000 ]  - [  -0.0000155800000000, -0.0000155800000000, -0.0006938100000000 ]  - [   0.0007320100000000,  0.0007320100000000,  0.0008924900000000 ]  - [   0.0000000000000000,  0.0000326700000000,  0.0001237000000000 ]  - [  -0.0007320100000000,  0.0007320100000000,  0.0008924900000000 ]  - [   0.0000326700000000,  0.0000000000000000,  0.0001237000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001709200000000 ]  - [  -0.0000326700000000,  0.0000000000000000,  0.0001237000000000 ]  - [   0.0007320100000000, -0.0007320100000000,  0.0008924900000000 ]  - [   0.0000000000000000, -0.0000326700000000,  0.0001237000000000 ]  - [  -0.0007320100000000, -0.0007320100000000,  0.0008924900000000 ]  - [   0.0000000000000000,  0.0005052900000000,  0.0005312900000000 ]  - [   0.0003409400000000,  0.0000617000000000,  0.0001477400000000 ]  - [  -0.0003409400000000,  0.0000617000000000,  0.0001477400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000719100000000 ]  - [   0.0000849500000000,  0.0000000000000000,  0.0000414700000000 ]  - [  -0.0000849500000000,  0.0000000000000000,  0.0000414700000000 ]  - [   0.0000000000000000, -0.0005052900000000,  0.0005312900000000 ]  - [   0.0003409400000000, -0.0000617000000000,  0.0001477400000000 ]  - [  -0.0003409400000000, -0.0000617000000000,  0.0001477400000000 ]  - [   0.0000000000000000, -0.0073628600000000,  0.0020920400000000 ]  - [  -0.0001745200000000, -0.0004719400000000, -0.0001368300000000 ]  - [   0.0001745200000000, -0.0004719400000000, -0.0001368300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001170100000000 ]  - [  -0.0000631400000000,  0.0000000000000000, -0.0000417100000000 ]  - [   0.0000631400000000,  0.0000000000000000, -0.0000417100000000 ]  - [   0.0000000000000000,  0.0073628600000000,  0.0020920400000000 ]  - [  -0.0001745200000000,  0.0004719400000000, -0.0001368300000000 ]  - [   0.0001745200000000,  0.0004719400000000, -0.0001368300000000 ]  - [   0.0000663400000000,  0.0000663400000000,  0.0002600800000000 ]  - [   0.0000000000000000, -0.0000077000000000,  0.0000404800000000 ]  - [  -0.0000663400000000,  0.0000663400000000,  0.0002600800000000 ]  - [  -0.0000077000000000,  0.0000000000000000,  0.0000404800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000989600000000 ]  - [   0.0000077000000000,  0.0000000000000000,  0.0000404800000000 ]  - [   0.0000663400000000, -0.0000663400000000,  0.0002600800000000 ]  - [   0.0000000000000000,  0.0000077000000000,  0.0000404800000000 ]  - [  -0.0000663400000000, -0.0000663400000000,  0.0002600800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003794900000000 ]  - [  -0.0004161000000000,  0.0000000000000000,  0.0010886100000000 ]  - [   0.0004161000000000,  0.0000000000000000,  0.0010886100000000 ]  - [   0.0000000000000000, -0.0004161000000000,  0.0010886100000000 ]  - [  -0.0000590300000000, -0.0000590300000000,  0.0005371500000000 ]  - [   0.0000590300000000, -0.0000590300000000,  0.0005371500000000 ]  - [   0.0000000000000000,  0.0004161000000000,  0.0010886100000000 ]  - [  -0.0000590300000000,  0.0000590300000000,  0.0005371500000000 ]  - [   0.0000590300000000,  0.0000590300000000,  0.0005371500000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0056706700000000 ]  - [   0.0004731200000000,  0.0000000000000000, -0.0004125300000000 ]  - [  -0.0004731200000000,  0.0000000000000000, -0.0004125300000000 ]  - [   0.0000000000000000,  0.0004731200000000, -0.0004125300000000 ]  - [   0.0001632900000000,  0.0001632900000000, -0.0004418300000000 ]  - [  -0.0001632900000000,  0.0001632900000000, -0.0004418300000000 ]  - [   0.0000000000000000, -0.0004731200000000, -0.0004125300000000 ]  - [   0.0001632900000000, -0.0001632900000000, -0.0004418300000000 ]  - [  -0.0001632900000000, -0.0001632900000000, -0.0004418300000000 ]  - [   0.0005878400000000,  0.0005878400000000, -0.0013014300000000 ]  - [   0.0000000000000000, -0.0000211600000000,  0.0000833200000000 ]  - [  -0.0005878400000000,  0.0005878400000000, -0.0013014300000000 ]  - [  -0.0000211600000000,  0.0000000000000000,  0.0000833200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001857400000000 ]  - [   0.0000211600000000,  0.0000000000000000,  0.0000833200000000 ]  - [   0.0005878400000000, -0.0005878400000000, -0.0013014300000000 ]  - [   0.0000000000000000,  0.0000211600000000,  0.0000833200000000 ]  - [  -0.0005878400000000, -0.0005878400000000, -0.0013014300000000 ]  - [  -0.0002681300000000, -0.0002681300000000,  0.0002108000000000 ]  - [   0.0000000000000000, -0.0001102400000000, -0.0001954300000000 ]  - [   0.0002681300000000, -0.0002681300000000,  0.0002108000000000 ]  - [  -0.0001102400000000,  0.0000000000000000, -0.0001954300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002374600000000 ]  - [   0.0001102400000000,  0.0000000000000000, -0.0001954300000000 ]  - [  -0.0002681300000000,  0.0002681300000000,  0.0002108000000000 ]  - [   0.0000000000000000,  0.0001102400000000, -0.0001954300000000 ]  - [   0.0002681300000000,  0.0002681300000000,  0.0002108000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010748500000000 ]  - [   0.0001122900000000,  0.0000000000000000,  0.0007441400000000 ]  - [  -0.0001122900000000,  0.0000000000000000,  0.0007441400000000 ]  - [   0.0000000000000000,  0.0001122900000000,  0.0007441400000000 ]  - [   0.0000352100000000,  0.0000352100000000,  0.0005512500000000 ]  - [  -0.0000352100000000,  0.0000352100000000,  0.0005512500000000 ]  - [   0.0000000000000000, -0.0001122900000000,  0.0007441400000000 ]  - [   0.0000352100000000, -0.0000352100000000,  0.0005512500000000 ]  - [  -0.0000352100000000, -0.0000352100000000,  0.0005512500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0312197100000000 ]  - [  -0.0018742500000000,  0.0000000000000000, -0.0005579700000000 ]  - [   0.0018742500000000,  0.0000000000000000, -0.0005579700000000 ]  - [   0.0000000000000000, -0.0018742500000000, -0.0005579700000000 ]  - [  -0.0001882200000000, -0.0001882200000000, -0.0001372300000000 ]  - [   0.0001882200000000, -0.0001882200000000, -0.0001372300000000 ]  - [   0.0000000000000000,  0.0018742500000000, -0.0005579700000000 ]  - [  -0.0001882200000000,  0.0001882200000000, -0.0001372300000000 ]  - [   0.0001882200000000,  0.0001882200000000, -0.0001372300000000 ]  - [   0.0004335600000000,  0.0004335600000000,  0.0009481200000000 ]  - [   0.0000000000000000,  0.0000605500000000,  0.0001239800000000 ]  - [  -0.0004335600000000,  0.0004335600000000,  0.0009481200000000 ]  - [   0.0000605500000000,  0.0000000000000000,  0.0001239800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000701500000000 ]  - [  -0.0000605500000000,  0.0000000000000000,  0.0001239800000000 ]  - [   0.0004335600000000, -0.0004335600000000,  0.0009481200000000 ]  - [   0.0000000000000000, -0.0000605500000000,  0.0001239800000000 ]  - [  -0.0004335600000000, -0.0004335600000000,  0.0009481200000000 ]  - [   0.0074493600000000,  0.0000000000000000, -0.0021092900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001177600000000 ]  - [  -0.0074493600000000,  0.0000000000000000, -0.0021092900000000 ]  - [   0.0004737400000000,  0.0001736300000000,  0.0001380100000000 ]  - [   0.0000000000000000,  0.0000631500000000,  0.0000417200000000 ]  - [  -0.0004737400000000,  0.0001736300000000,  0.0001380100000000 ]  - [   0.0004737400000000, -0.0001736300000000,  0.0001380100000000 ]  - [   0.0000000000000000, -0.0000631500000000,  0.0000417200000000 ]  - [  -0.0004737400000000, -0.0001736300000000,  0.0001380100000000 ]  - [  -0.0005006700000000,  0.0000000000000000, -0.0005283900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000716600000000 ]  - [   0.0005006700000000,  0.0000000000000000, -0.0005283900000000 ]  - [  -0.0000614100000000, -0.0003400300000000, -0.0001474400000000 ]  - [   0.0000000000000000, -0.0000848900000000, -0.0000409200000000 ]  - [   0.0000614100000000, -0.0003400300000000, -0.0001474400000000 ]  - [  -0.0000614100000000,  0.0003400300000000, -0.0001474400000000 ]  - [   0.0000000000000000,  0.0000848900000000, -0.0000409200000000 ]  - [   0.0000614100000000,  0.0003400300000000, -0.0001474400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0507321000000000 ]  - [  -0.0000629000000000,  0.0000000000000000,  0.0006881700000000 ]  - [   0.0000629000000000,  0.0000000000000000,  0.0006881700000000 ]  - [   0.0000000000000000, -0.0000629000000000,  0.0006881700000000 ]  - [  -0.0000165800000000, -0.0000165800000000,  0.0000872700000000 ]  - [   0.0000165800000000, -0.0000165800000000,  0.0000872700000000 ]  - [   0.0000000000000000,  0.0000629000000000,  0.0006881700000000 ]  - [  -0.0000165800000000,  0.0000165800000000,  0.0000872700000000 ]  - [   0.0000165800000000,  0.0000165800000000,  0.0000872700000000 ]  - [  -0.0007297500000000, -0.0007297500000000, -0.0002893900000000 ]  - [   0.0000000000000000, -0.0000328700000000,  0.0004819100000000 ]  - [   0.0007297500000000, -0.0007297500000000, -0.0002893900000000 ]  - [  -0.0000328700000000,  0.0000000000000000,  0.0004819100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004350100000000 ]  - [   0.0000328700000000,  0.0000000000000000,  0.0004819100000000 ]  - [  -0.0007297500000000,  0.0007297500000000, -0.0002893900000000 ]  - [   0.0000000000000000,  0.0000328700000000,  0.0004819100000000 ]  - [   0.0007297500000000,  0.0007297500000000, -0.0002893900000000 ]  - [   0.0000000000000000, -0.0005006700000000, -0.0005283900000000 ]  - [  -0.0003400300000000, -0.0000614100000000, -0.0001474400000000 ]  - [   0.0003400300000000, -0.0000614100000000, -0.0001474400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000716600000000 ]  - [  -0.0000848900000000,  0.0000000000000000, -0.0000409200000000 ]  - [   0.0000848900000000,  0.0000000000000000, -0.0000409200000000 ]  - [   0.0000000000000000,  0.0005006700000000, -0.0005283900000000 ]  - [  -0.0003400300000000,  0.0000614100000000, -0.0001474400000000 ]  - [   0.0003400300000000,  0.0000614100000000, -0.0001474400000000 ]  - [   0.0000000000000000,  0.0074493600000000, -0.0021092900000000 ]  - [   0.0001736300000000,  0.0004737400000000,  0.0001380100000000 ]  - [  -0.0001736300000000,  0.0004737400000000,  0.0001380100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001177600000000 ]  - [   0.0000631500000000,  0.0000000000000000,  0.0000417200000000 ]  - [  -0.0000631500000000,  0.0000000000000000,  0.0000417200000000 ]  - [   0.0000000000000000, -0.0074493600000000, -0.0021092900000000 ]  - [   0.0001736300000000, -0.0004737400000000,  0.0001380100000000 ]  - [  -0.0001736300000000, -0.0004737400000000,  0.0001380100000000 ]  - [  -0.0000660600000000, -0.0000660600000000, -0.0008638200000000 ]  - [   0.0000000000000000,  0.0000079600000000, -0.0006458400000000 ]  - [   0.0000660600000000, -0.0000660600000000, -0.0008638200000000 ]  - [   0.0000079600000000,  0.0000000000000000, -0.0006458400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005061600000000 ]  - [  -0.0000079600000000,  0.0000000000000000, -0.0006458400000000 ]  - [  -0.0000660600000000,  0.0000660600000000, -0.0008638200000000 ]  - [   0.0000000000000000, -0.0000079600000000, -0.0006458400000000 ]  - [   0.0000660600000000,  0.0000660600000000, -0.0008638200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010319400000000 ]  - [   0.0004167200000000,  0.0000000000000000, -0.0004844600000000 ]  - [  -0.0004167200000000,  0.0000000000000000, -0.0004844600000000 ]  - [   0.0000000000000000,  0.0004167200000000, -0.0004844600000000 ]  - [   0.0000591300000000,  0.0000591300000000,  0.0000696900000000 ]  - [  -0.0000591300000000,  0.0000591300000000,  0.0000696900000000 ]  - [   0.0000000000000000, -0.0004167200000000, -0.0004844600000000 ]  - [   0.0000591300000000, -0.0000591300000000,  0.0000696900000000 ]  - [  -0.0000591300000000, -0.0000591300000000,  0.0000696900000000 ]