# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d24af422-55ba-46f2-9c04-56e49cd70f9c/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 YbOF / C2/m (12) / materials id 7028](https://mdr.nims.go.jp/datasets/5407d780-1a9b-42b8-9324-617d19807fb1)

## 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: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     2.712375905000000,    -2.396914835000000,    -0.014849870000000 ] # a  - [     2.712375905000000,     2.396914835000000,    -0.014849870000000 ] # b  - [    -0.729524310000000,     0.000000000000000,     5.454544970000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.344121770000000,  0.655878230000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.655878230000000,  0.344121770000000,  0.500000000000000 ]    mass: 15.999400  - symbol: F  # 3    coordinates: [  0.246854120000000,  0.753145880000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.753145880000000,  0.246854120000000,  0.000000000000000 ]    mass: 18.998403  - symbol: Yb # 5    coordinates: [  0.772594970000000,  0.772594970000000,  0.242753600000000 ]    mass: 173.054000  - symbol: Yb # 6    coordinates: [  0.227405030000000,  0.227405030000000,  0.757246400000000 ]    mass: 173.054000  reciprocal_lattice: # without 2pi  - [     0.184475311051119,    -0.208601487503414,     0.024672859926316 ] # a*  - [     0.184475311051118,     0.208601487503414,     0.024672859926316 ] # b*  - [     0.001004459364580,     0.000000000000000,     0.183467692177606 ] # c*unit_cell:  lattice:  - [     5.424751810000000,     0.000000000000000,    -0.029699740000000 ] # a  - [     0.000000000000000,     4.793829670000000,     0.000000000000000 ] # b  - [    -0.729524310000000,     0.000000000000000,     5.454544970000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.155878230000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.844121770000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.655878230000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.344121770000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: F  # 5    coordinates: [  0.500000000000000,  0.253145880000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.746854120000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.000000000000000,  0.753145880000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 8    coordinates: [  0.000000000000000,  0.246854120000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 6  - symbol: Yb # 9    coordinates: [  0.772594970000000,  0.000000000000000,  0.242753600000000 ]    mass: 173.054000    reduced_to: 9  - symbol: Yb # 10    coordinates: [  0.227405030000000,  0.000000000000000,  0.757246400000000 ]    mass: 173.054000    reduced_to: 10  - symbol: Yb # 11    coordinates: [  0.272594970000000,  0.500000000000000,  0.242753600000000 ]    mass: 173.054000    reduced_to: 9  - symbol: Yb # 12    coordinates: [  0.727405030000000,  0.500000000000000,  0.757246400000000 ]    mass: 173.054000    reduced_to: 10supercell:  lattice:  - [    10.849503620000000,     0.000000000000000,    -0.059399480000000 ] # a  - [     0.000000000000000,    14.381489009999999,     0.000000000000000 ] # b  - [    -1.459048620000000,     0.000000000000000,    10.909089939999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.250000000000000,  0.051959410000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.750000000000000,  0.051959410000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.250000000000000,  0.385292743333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.750000000000000,  0.385292743333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.250000000000000,  0.718626076666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.750000000000000,  0.718626076666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.250000000000000,  0.051959410000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.051959410000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.250000000000000,  0.385292743333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.750000000000000,  0.385292743333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.250000000000000,  0.718626076666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.750000000000000,  0.718626076666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.250000000000000,  0.281373923333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.750000000000000,  0.281373923333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.250000000000000,  0.614707256666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.750000000000000,  0.614707256666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.250000000000000,  0.948040590000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 18    coordinates: [  0.750000000000000,  0.948040590000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 19    coordinates: [  0.250000000000000,  0.281373923333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 20    coordinates: [  0.750000000000000,  0.281373923333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 21    coordinates: [  0.250000000000000,  0.614707256666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 22    coordinates: [  0.750000000000000,  0.614707256666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 23    coordinates: [  0.250000000000000,  0.948040590000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 24    coordinates: [  0.750000000000000,  0.948040590000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.218626076666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.500000000000000,  0.218626076666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.551959410000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.500000000000000,  0.551959410000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.885292743333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 30    coordinates: [  0.500000000000000,  0.885292743333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.218626076666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.218626076666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.551959410000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.551959410000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.885292743333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 36    coordinates: [  0.500000000000000,  0.885292743333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.114707256666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.500000000000000,  0.114707256666667,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.448040590000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 40    coordinates: [  0.500000000000000,  0.448040590000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.781373923333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.781373923333333,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.114707256666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.114707256666667,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 45    coordinates: [  0.000000000000000,  0.448040590000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.500000000000000,  0.448040590000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 47    coordinates: [  0.000000000000000,  0.781373923333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 48    coordinates: [  0.500000000000000,  0.781373923333333,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: F  # 49    coordinates: [  0.250000000000000,  0.084381960000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.750000000000000,  0.084381960000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 51    coordinates: [  0.250000000000000,  0.417715293333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 52    coordinates: [  0.750000000000000,  0.417715293333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 53    coordinates: [  0.250000000000000,  0.751048626666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 54    coordinates: [  0.750000000000000,  0.751048626666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 55    coordinates: [  0.250000000000000,  0.084381960000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 56    coordinates: [  0.750000000000000,  0.084381960000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 57    coordinates: [  0.250000000000000,  0.417715293333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 58    coordinates: [  0.750000000000000,  0.417715293333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 59    coordinates: [  0.250000000000000,  0.751048626666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 60    coordinates: [  0.750000000000000,  0.751048626666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 61    coordinates: [  0.250000000000000,  0.248951373333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 62    coordinates: [  0.750000000000000,  0.248951373333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 63    coordinates: [  0.250000000000000,  0.582284706666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 64    coordinates: [  0.750000000000000,  0.582284706666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 65    coordinates: [  0.250000000000000,  0.915618040000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 66    coordinates: [  0.750000000000000,  0.915618040000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 67    coordinates: [  0.250000000000000,  0.248951373333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 68    coordinates: [  0.750000000000000,  0.248951373333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 69    coordinates: [  0.250000000000000,  0.582284706666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 70    coordinates: [  0.750000000000000,  0.582284706666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 71    coordinates: [  0.250000000000000,  0.915618040000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 72    coordinates: [  0.750000000000000,  0.915618040000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 73    coordinates: [  0.000000000000000,  0.251048626666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 74    coordinates: [  0.500000000000000,  0.251048626666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 75    coordinates: [  0.000000000000000,  0.584381960000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 76    coordinates: [  0.500000000000000,  0.584381960000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 77    coordinates: [  0.000000000000000,  0.917715293333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 78    coordinates: [  0.500000000000000,  0.917715293333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 79    coordinates: [  0.000000000000000,  0.251048626666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 80    coordinates: [  0.500000000000000,  0.251048626666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 81    coordinates: [  0.000000000000000,  0.584381960000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 82    coordinates: [  0.500000000000000,  0.584381960000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 83    coordinates: [  0.000000000000000,  0.917715293333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 84    coordinates: [  0.500000000000000,  0.917715293333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 85    coordinates: [  0.000000000000000,  0.082284706666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 86    coordinates: [  0.500000000000000,  0.082284706666667,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 87    coordinates: [  0.000000000000000,  0.415618040000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 88    coordinates: [  0.500000000000000,  0.415618040000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 89    coordinates: [  0.000000000000000,  0.748951373333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 90    coordinates: [  0.500000000000000,  0.748951373333333,  0.000000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 91    coordinates: [  0.000000000000000,  0.082284706666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 92    coordinates: [  0.500000000000000,  0.082284706666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 93    coordinates: [  0.000000000000000,  0.415618040000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 94    coordinates: [  0.500000000000000,  0.415618040000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 95    coordinates: [  0.000000000000000,  0.748951373333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: F  # 96    coordinates: [  0.500000000000000,  0.748951373333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 61  - symbol: Yb # 97    coordinates: [  0.386297485000000,  0.000000000000000,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 98    coordinates: [  0.886297485000000,  0.000000000000000,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 99    coordinates: [  0.386297485000000,  0.333333333333333,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 100    coordinates: [  0.886297485000000,  0.333333333333333,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 101    coordinates: [  0.386297485000000,  0.666666666666667,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 102    coordinates: [  0.886297485000000,  0.666666666666667,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 103    coordinates: [  0.386297485000000,  0.000000000000000,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 104    coordinates: [  0.886297485000000,  0.000000000000000,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 105    coordinates: [  0.386297485000000,  0.333333333333333,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 106    coordinates: [  0.886297485000000,  0.333333333333333,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 107    coordinates: [  0.386297485000000,  0.666666666666667,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 108    coordinates: [  0.886297485000000,  0.666666666666667,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 109    coordinates: [  0.113702515000000,  0.000000000000000,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 110    coordinates: [  0.613702515000000,  0.000000000000000,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 111    coordinates: [  0.113702515000000,  0.333333333333333,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 112    coordinates: [  0.613702515000000,  0.333333333333333,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 113    coordinates: [  0.113702515000000,  0.666666666666667,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 114    coordinates: [  0.613702515000000,  0.666666666666667,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 115    coordinates: [  0.113702515000000,  0.000000000000000,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 116    coordinates: [  0.613702515000000,  0.000000000000000,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 117    coordinates: [  0.113702515000000,  0.333333333333333,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 118    coordinates: [  0.613702515000000,  0.333333333333333,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 119    coordinates: [  0.113702515000000,  0.666666666666667,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 120    coordinates: [  0.613702515000000,  0.666666666666667,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 121    coordinates: [  0.136297485000000,  0.166666666666667,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 122    coordinates: [  0.636297485000000,  0.166666666666667,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 123    coordinates: [  0.136297485000000,  0.500000000000000,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 124    coordinates: [  0.636297485000000,  0.500000000000000,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 125    coordinates: [  0.136297485000000,  0.833333333333333,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 126    coordinates: [  0.636297485000000,  0.833333333333333,  0.121376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 127    coordinates: [  0.136297485000000,  0.166666666666667,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 128    coordinates: [  0.636297485000000,  0.166666666666667,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 129    coordinates: [  0.136297485000000,  0.500000000000000,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 130    coordinates: [  0.636297485000000,  0.500000000000000,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 131    coordinates: [  0.136297485000000,  0.833333333333333,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 132    coordinates: [  0.636297485000000,  0.833333333333333,  0.621376800000000 ]    mass: 173.054000    reduced_to: 97  - symbol: Yb # 133    coordinates: [  0.363702515000000,  0.166666666666667,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 134    coordinates: [  0.863702515000000,  0.166666666666667,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 135    coordinates: [  0.363702515000000,  0.500000000000000,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 136    coordinates: [  0.863702515000000,  0.500000000000000,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 137    coordinates: [  0.363702515000000,  0.833333333333333,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 138    coordinates: [  0.863702515000000,  0.833333333333333,  0.378623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 139    coordinates: [  0.363702515000000,  0.166666666666667,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 140    coordinates: [  0.863702515000000,  0.166666666666667,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 141    coordinates: [  0.363702515000000,  0.500000000000000,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 142    coordinates: [  0.863702515000000,  0.500000000000000,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 143    coordinates: [  0.363702515000000,  0.833333333333333,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109  - symbol: Yb # 144    coordinates: [  0.863702515000000,  0.833333333333333,  0.878623200000000 ]    mass: 173.054000    reduced_to: 109born_effective_charge:- # 1 (O)  - [ -1.229478950000000,  0.000000000000000,  0.130912730000000 ]  - [  0.000000000000000, -1.236991060000000,  0.000000000000000 ]  - [  0.169146860000000,  0.000000000000000, -1.123032370000000 ]- # 2 (O)  - [ -1.229478950000000,  0.000000000000000,  0.130912730000000 ]  - [  0.000000000000000, -1.236991060000000,  0.000000000000000 ]  - [  0.169146860000000,  0.000000000000000, -1.123032370000000 ]- # 3 (F)  - [ -1.315091780000000, -0.000000000000000,  0.019179370000000 ]  - [ -0.000000000000000, -1.202971630000000,  0.000000000000000 ]  - [ -0.034016590000000, -0.000000000000000, -1.400876570000000 ]- # 4 (F)  - [ -1.315091780000000, -0.000000000000000,  0.019179370000000 ]  - [ -0.000000000000000, -1.202971630000000,  0.000000000000000 ]  - [ -0.034016590000000, -0.000000000000000, -1.400876570000000 ]- # 5 (Yb)  - [  2.544570730000000, -0.000000000000000, -0.150092100000000 ]  - [  0.000000000000000,  2.439962690000000, -0.000000000000000 ]  - [ -0.135130270000000,  0.000000000000000,  2.523908930000000 ]- # 6 (Yb)  - [  2.544570730000000, -0.000000000000000, -0.150092100000000 ]  - [  0.000000000000000,  2.439962690000000, -0.000000000000000 ]  - [ -0.135130270000000,  0.000000000000000,  2.523908930000000 ]dielectric_constant:  - [  2.802381880000000,  0.000000000000000, -0.032955070000000 ]  - [  0.000000000000000,  3.056707540000000,  0.000000000000000 ]  - [ -0.032954900000000,  0.000000000000000,  2.760757780000000 ]displacements:- atom:    1  displacement:    [   0.0099998501330775,  0.0000000000000000, -0.0000547477487254 ]  forces:  - [  -0.0545252200000000, -0.0002040200000000,  0.0312598100000000 ]  - [   0.0018180800000000,  0.0004067400000000,  0.0001167300000000 ]  - [  -0.0001709800000000,  0.0004138100000000, -0.0000114700000000 ]  - [   0.0004168300000000,  0.0004059400000000, -0.0001865300000000 ]  - [  -0.0001710300000000,  0.0004097700000000, -0.0000334400000000 ]  - [   0.0004186700000000,  0.0004040300000000,  0.0001424500000000 ]  - [  -0.0002910400000000,  0.0004072300000000, -0.0003017800000000 ]  - [   0.0004666800000000,  0.0004069900000000, -0.0000773700000000 ]  - [  -0.0002039700000000,  0.0004060100000000,  0.0000443900000000 ]  - [   0.0001615100000000,  0.0004045100000000,  0.0000222900000000 ]  - [  -0.0002050800000000,  0.0004049800000000, -0.0001669600000000 ]  - [   0.0001614500000000,  0.0004050700000000,  0.0000179000000000 ]  - [  -0.0019316600000000, -0.0004217400000000, -0.0008510000000000 ]  - [   0.0011841500000000, -0.0004060100000000,  0.0002402900000000 ]  - [  -0.0004815400000000, -0.0004080000000000,  0.0001493100000000 ]  - [   0.0002224800000000, -0.0004074700000000, -0.0000147600000000 ]  - [  -0.0131566800000000,  0.0003600700000000, -0.0046134400000000 ]  - [   0.0012161900000000, -0.0004044600000000, -0.0001397800000000 ]  - [  -0.0002477100000000, -0.0004053600000000,  0.0000190900000000 ]  - [   0.0002285400000000, -0.0004065700000000,  0.0000927400000000 ]  - [  -0.0001185800000000, -0.0004063000000000, -0.0000506600000000 ]  - [   0.0001310500000000, -0.0004064000000000, -0.0000142800000000 ]  - [  -0.0003681800000000, -0.0004038100000000, -0.0003811600000000 ]  - [   0.0004004300000000, -0.0004046700000000, -0.0001084600000000 ]  - [   0.0018214100000000, -0.0028476400000000, -0.0007704300000000 ]  - [   0.0018648800000000,  0.0036970400000000, -0.0007692400000000 ]  - [  -0.0000070300000000,  0.0003413200000000,  0.0000017500000000 ]  - [  -0.0000072900000000,  0.0004715700000000,  0.0000018500000000 ]  - [   0.0018767600000000,  0.0009789100000000,  0.0013657900000000 ]  - [   0.0018327400000000, -0.0001751600000000,  0.0013725600000000 ]  - [   0.0000134600000000,  0.0003482100000000,  0.0000261600000000 ]  - [   0.0000116200000000,  0.0004659200000000,  0.0000260100000000 ]  - [  -0.0000080200000000,  0.0003899000000000, -0.0000002200000000 ]  - [  -0.0000082200000000,  0.0004214400000000, -0.0000003600000000 ]  - [   0.0000108300000000,  0.0004680500000000, -0.0003128100000000 ]  - [   0.0000104900000000,  0.0003436600000000, -0.0003167200000000 ]  - [   0.0095132900000000, -0.0058643700000000,  0.0000527000000000 ]  - [   0.0095364000000000,  0.0051966800000000,  0.0000294100000000 ]  - [   0.0000132500000000, -0.0005482100000000, -0.0000195200000000 ]  - [   0.0000136900000000, -0.0002625600000000, -0.0000195100000000 ]  - [  -0.0003050100000000,  0.0000150700000000,  0.0000851100000000 ]  - [  -0.0003056300000000, -0.0008251900000000,  0.0000879000000000 ]  - [  -0.0000490800000000, -0.0004469400000000, -0.0000560300000000 ]  - [  -0.0000512500000000, -0.0003619200000000, -0.0000576000000000 ]  - [   0.0000068100000000, -0.0004417500000000,  0.0000178500000000 ]  - [   0.0000062200000000, -0.0003707700000000,  0.0000173500000000 ]  - [   0.0000757500000000, -0.0003130500000000, -0.0001195200000000 ]  - [   0.0000760600000000, -0.0005009000000000, -0.0001209200000000 ]  - [  -0.0027274700000000,  0.0005819200000000, -0.0013410600000000 ]  - [   0.0009948100000000, -0.0002932100000000,  0.0001313500000000 ]  - [  -0.0003069700000000, -0.0001327000000000, -0.0001639500000000 ]  - [   0.0003224400000000, -0.0002551800000000,  0.0001794900000000 ]  - [  -0.0004809200000000, -0.0003158300000000,  0.0000408900000000 ]  - [   0.0003622900000000, -0.0002353100000000, -0.0000473400000000 ]  - [  -0.0026954200000000, -0.0008830400000000, -0.0014295700000000 ]  - [   0.0009931000000000, -0.0000010400000000,  0.0001304000000000 ]  - [  -0.0003069200000000, -0.0001654100000000, -0.0001629400000000 ]  - [   0.0003225600000000, -0.0000410700000000,  0.0001801000000000 ]  - [  -0.0004768800000000,  0.0000197100000000,  0.0000376500000000 ]  - [   0.0003615000000000, -0.0000619100000000, -0.0000476800000000 ]  - [  -0.0011745100000000, -0.0001073200000000,  0.0005070400000000 ]  - [   0.0007155600000000,  0.0003553600000000, -0.0001242500000000 ]  - [  -0.0001762800000000,  0.0000722300000000, -0.0000658300000000 ]  - [   0.0001752200000000,  0.0001488500000000,  0.0000626600000000 ]  - [  -0.0019422200000000, -0.0006992500000000, -0.0014618000000000 ]  - [   0.0009022800000000,  0.0003587200000000,  0.0002860600000000 ]  - [  -0.0011685000000000,  0.0003947700000000,  0.0005041700000000 ]  - [   0.0007146600000000, -0.0000589100000000, -0.0001236700000000 ]  - [  -0.0001763900000000,  0.0002236300000000, -0.0000656800000000 ]  - [   0.0001748000000000,  0.0001467400000000,  0.0000626200000000 ]  - [  -0.0019258300000000,  0.0009862100000000, -0.0014592200000000 ]  - [   0.0008992500000000, -0.0000632900000000,  0.0002853900000000 ]  - [   0.0008341600000000, -0.0006849000000000,  0.0012172300000000 ]  - [  -0.0000530300000000,  0.0002452300000000, -0.0004721800000000 ]  - [  -0.0000314100000000, -0.0001109200000000,  0.0000398700000000 ]  - [   0.0000330500000000, -0.0002426200000000, -0.0000424700000000 ]  - [  -0.0001308700000000,  0.0001264600000000,  0.0004381000000000 ]  - [   0.0034144900000000, -0.0029475300000000, -0.0031356400000000 ]  - [  -0.0000508500000000, -0.0005401900000000, -0.0004707600000000 ]  - [   0.0008193500000000,  0.0003855200000000,  0.0012078500000000 ]  - [   0.0000334300000000, -0.0000543300000000, -0.0000422900000000 ]  - [  -0.0000311600000000, -0.0001849400000000,  0.0000402900000000 ]  - [   0.0033648500000000,  0.0026084100000000, -0.0031015200000000 ]  - [  -0.0001294700000000, -0.0004262700000000,  0.0004404700000000 ]  - [   0.0005287800000000,  0.0002190100000000,  0.0015436100000000 ]  - [   0.0007621200000000,  0.0009174200000000, -0.0012515300000000 ]  - [  -0.0000550600000000, -0.0000814400000000,  0.0000873300000000 ]  - [   0.0000531900000000,  0.0002830700000000, -0.0000838000000000 ]  - [   0.0003824100000000,  0.0005616500000000,  0.0004370900000000 ]  - [   0.0000491800000000, -0.0003160100000000, -0.0001163200000000 ]  - [   0.0007553400000000, -0.0006016800000000, -0.0012455400000000 ]  - [   0.0005299500000000,  0.0000814900000000,  0.0015512800000000 ]  - [   0.0000536800000000,  0.0000126300000000, -0.0000834200000000 ]  - [  -0.0000556500000000,  0.0003762900000000,  0.0000881100000000 ]  - [   0.0000496700000000,  0.0006075700000000, -0.0001171900000000 ]  - [   0.0003763200000000, -0.0002645000000000,  0.0004315500000000 ]  - [   0.0163652100000000, -0.0047319600000000, -0.0092846600000000 ]  - [  -0.0032329400000000, -0.0012331300000000, -0.0019250800000000 ]  - [   0.0010711300000000, -0.0008644100000000,  0.0003756400000000 ]  - [  -0.0013094900000000,  0.0010492500000000, -0.0009655000000000 ]  - [   0.0002531200000000,  0.0005979900000000, -0.0002462200000000 ]  - [  -0.0006157500000000, -0.0002956700000000, -0.0006203300000000 ]  - [   0.0012528100000000,  0.0005029600000000, -0.0006239000000000 ]  - [  -0.0015593400000000,  0.0001800600000000,  0.0004772000000000 ]  - [   0.0003175600000000, -0.0003989800000000, -0.0007753200000000 ]  - [  -0.0005514300000000,  0.0002306800000000, -0.0003382500000000 ]  - [   0.0002064800000000,  0.0000635500000000, -0.0003772800000000 ]  - [  -0.0004501000000000, -0.0002073400000000, -0.0003150500000000 ]  - [   0.0158781800000000,  0.0042790800000000, -0.0076776200000000 ]  - [  -0.0029838300000000,  0.0012286000000000, -0.0011119500000000 ]  - [   0.0013423000000000,  0.0008688600000000,  0.0011839300000000 ]  - [  -0.0010336900000000, -0.0010482600000000, -0.0001573700000000 ]  - [   0.0005253800000000, -0.0005985700000000,  0.0005672200000000 ]  - [  -0.0003397500000000,  0.0002948500000000,  0.0001909600000000 ]  - [   0.0015175000000000, -0.0005163100000000,  0.0001853700000000 ]  - [  -0.0012939400000000, -0.0001853800000000,  0.0012985400000000 ]  - [   0.0005901900000000,  0.0004036600000000,  0.0000336000000000 ]  - [  -0.0002772900000000, -0.0002309400000000,  0.0004743900000000 ]  - [   0.0004810000000000, -0.0000631100000000,  0.0004325900000000 ]  - [  -0.0001770600000000,  0.0002098700000000,  0.0004975500000000 ]  - [   0.0062640000000000,  0.0006483100000000, -0.0021589200000000 ]  - [  -0.0031263800000000, -0.0006987100000000,  0.0008448300000000 ]  - [   0.0001961700000000,  0.0001211400000000, -0.0004452300000000 ]  - [  -0.0004688600000000, -0.0000366300000000, -0.0003347700000000 ]  - [   0.0023502200000000,  0.0003986600000000, -0.0011793200000000 ]  - [  -0.0018716100000000,  0.0008504300000000, -0.0005511900000000 ]  - [   0.0006107600000000,  0.0007000400000000,  0.0003940100000000 ]  - [  -0.0010249900000000, -0.0001593500000000, -0.0010565700000000 ]  - [   0.0000189900000000,  0.0000030000000000, -0.0003224300000000 ]  - [  -0.0002947600000000, -0.0000796800000000, -0.0005226700000000 ]  - [   0.0004146700000000, -0.0009345500000000,  0.0008091500000000 ]  - [  -0.0006523500000000,  0.0001137700000000, -0.0005727600000000 ]  - [   0.0066268100000000, -0.0004531300000000, -0.0012094400000000 ]  - [  -0.0028541900000000,  0.0006987100000000,  0.0016661500000000 ]  - [   0.0004692900000000, -0.0001213100000000,  0.0003643500000000 ]  - [  -0.0001953000000000,  0.0000370300000000,  0.0004762900000000 ]  - [   0.0026419700000000, -0.0004194100000000, -0.0003261700000000 ]  - [  -0.0015927600000000, -0.0008432800000000,  0.0002721000000000 ]  - [   0.0008996600000000, -0.0007011300000000,  0.0012024600000000 ]  - [  -0.0007539400000000,  0.0001548600000000, -0.0002459300000000 ]  - [   0.0002932800000000, -0.0000016400000000,  0.0004897400000000 ]  - [  -0.0000215500000000,  0.0000807700000000,  0.0002893600000000 ]  - [   0.0006951100000000,  0.0009441500000000,  0.0016297600000000 ]  - [  -0.0003795600000000, -0.0001111100000000,  0.0002383300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.2507835300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005571700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0021228400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0007490300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0021093100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0007508500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001288900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000835200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006744800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006133600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006764700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006159400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0015191400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001683000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0008613500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000050600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.2179439800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0011227500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002605600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002396100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000736600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001577100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0009062400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0008067400000000,  0.0000000000000000 ]  - [  -0.0005796300000000, -0.0002750200000000,  0.0008107000000000 ]  - [   0.0005796300000000, -0.0002750200000000, -0.0008107000000000 ]  - [   0.0000641500000000,  0.0010188200000000,  0.0000561200000000 ]  - [  -0.0000641500000000,  0.0010188200000000, -0.0000561200000000 ]  - [   0.0032733700000000, -0.0002706300000000,  0.0006427000000000 ]  - [  -0.0032733700000000, -0.0002706300000000, -0.0006427000000000 ]  - [  -0.0000634100000000,  0.0001932600000000, -0.0001666900000000 ]  - [   0.0000634100000000,  0.0001932600000000,  0.0001666900000000 ]  - [   0.0000162500000000,  0.0007988200000000,  0.0000224400000000 ]  - [  -0.0000162500000000,  0.0007988200000000, -0.0000224400000000 ]  - [   0.0000593500000000,  0.0001959400000000, -0.0000552300000000 ]  - [  -0.0000593500000000,  0.0001959400000000,  0.0000552300000000 ]  - [  -0.0055304000000000, -0.0012303500000000, -0.0001782100000000 ]  - [   0.0055304000000000, -0.0012303500000000,  0.0001782100000000 ]  - [  -0.0001452200000000,  0.0002450200000000, -0.0000517700000000 ]  - [   0.0001452200000000,  0.0002450200000000,  0.0000517700000000 ]  - [   0.0004090500000000, -0.0001726600000000, -0.0005301200000000 ]  - [  -0.0004090500000000, -0.0001726600000000,  0.0005301200000000 ]  - [  -0.0000422600000000, -0.0007179200000000, -0.0001046600000000 ]  - [   0.0000422600000000, -0.0007179200000000,  0.0001046600000000 ]  - [  -0.0000369500000000, -0.0000171600000000, -0.0000486800000000 ]  - [   0.0000369500000000, -0.0000171600000000,  0.0000486800000000 ]  - [   0.0000939800000000, -0.0004932600000000,  0.0000503900000000 ]  - [  -0.0000939800000000, -0.0004932600000000, -0.0000503900000000 ]  - [   0.0004607700000000, -0.0023931200000000, -0.0019434700000000 ]  - [  -0.0000539600000000, -0.0006417500000000, -0.0000639100000000 ]  - [  -0.0000389500000000,  0.0004718400000000, -0.0002236600000000 ]  - [  -0.0001052900000000,  0.0001997300000000, -0.0000988900000000 ]  - [  -0.0004714500000000,  0.0004743200000000,  0.0007498900000000 ]  - [   0.0000565200000000, -0.0000075500000000,  0.0001691500000000 ]  - [  -0.0004607700000000, -0.0023931200000000,  0.0019434700000000 ]  - [   0.0000539600000000, -0.0006417500000000,  0.0000639100000000 ]  - [   0.0000389500000000,  0.0004718400000000,  0.0002236600000000 ]  - [   0.0001052900000000,  0.0001997300000000,  0.0000988900000000 ]  - [   0.0004714500000000,  0.0004743200000000, -0.0007498900000000 ]  - [  -0.0000565200000000, -0.0000075500000000, -0.0001691500000000 ]  - [   0.0008276700000000,  0.0007779300000000, -0.0010776300000000 ]  - [  -0.0001559000000000,  0.0001980700000000, -0.0001610200000000 ]  - [   0.0000688500000000,  0.0007563200000000,  0.0001485100000000 ]  - [   0.0000813200000000,  0.0005241100000000,  0.0000901200000000 ]  - [   0.0003602500000000, -0.0010582300000000,  0.0018901700000000 ]  - [  -0.0001241400000000, -0.0002653800000000,  0.0000663900000000 ]  - [  -0.0008276700000000,  0.0007779300000000,  0.0010776300000000 ]  - [   0.0001559000000000,  0.0001980700000000,  0.0001610200000000 ]  - [  -0.0000688500000000,  0.0007563200000000, -0.0001485100000000 ]  - [  -0.0000813200000000,  0.0005241100000000, -0.0000901200000000 ]  - [  -0.0003602500000000, -0.0010582300000000, -0.0018901700000000 ]  - [   0.0001241400000000, -0.0002653800000000, -0.0000663900000000 ]  - [  -0.0026764500000000,  0.0018248400000000, -0.0025981100000000 ]  - [   0.0002498900000000, -0.0001943900000000, -0.0002953000000000 ]  - [  -0.0000473600000000,  0.0004694100000000, -0.0000187100000000 ]  - [  -0.0001144300000000,  0.0002967000000000,  0.0001052300000000 ]  - [   0.0006202900000000, -0.0011938900000000,  0.0006721200000000 ]  - [  -0.0011504000000000,  0.0002377400000000,  0.0012093100000000 ]  - [  -0.0002498900000000, -0.0001943900000000,  0.0002953000000000 ]  - [   0.0026764500000000,  0.0018248400000000,  0.0025981100000000 ]  - [   0.0001144300000000,  0.0002967000000000, -0.0001052300000000 ]  - [   0.0000473600000000,  0.0004694100000000,  0.0000187100000000 ]  - [   0.0011504000000000,  0.0002377400000000, -0.0012093100000000 ]  - [  -0.0006202900000000, -0.0011938900000000, -0.0006721200000000 ]  - [  -0.0007820400000000, -0.0012269600000000, -0.0008280300000000 ]  - [  -0.0001078700000000, -0.0004904900000000, -0.0000024900000000 ]  - [  -0.0000270500000000,  0.0007958900000000, -0.0000345500000000 ]  - [   0.0001709400000000,  0.0005702600000000, -0.0001420600000000 ]  - [   0.0013956700000000,  0.0011300400000000,  0.0014031800000000 ]  - [  -0.0001842900000000,  0.0003535400000000,  0.0002535300000000 ]  - [   0.0001078700000000, -0.0004904900000000,  0.0000024900000000 ]  - [   0.0007820400000000, -0.0012269600000000,  0.0008280300000000 ]  - [  -0.0001709400000000,  0.0005702600000000,  0.0001420600000000 ]  - [   0.0000270500000000,  0.0007958900000000,  0.0000345500000000 ]  - [   0.0001842900000000,  0.0003535400000000, -0.0002535300000000 ]  - [  -0.0013956700000000,  0.0011300400000000, -0.0014031800000000 ]  - [  -0.0012529400000000,  0.0094320600000000, -0.0000310400000000 ]  - [  -0.0000501900000000,  0.0022956300000000, -0.0005572700000000 ]  - [  -0.0012795800000000, -0.0015805300000000,  0.0003830100000000 ]  - [   0.0005898500000000, -0.0010700600000000, -0.0004741500000000 ]  - [   0.0005208600000000, -0.0014911300000000, -0.0009596800000000 ]  - [  -0.0006122500000000, -0.0010721800000000, -0.0004603400000000 ]  - [   0.0000661300000000,  0.0018969200000000, -0.0003932600000000 ]  - [  -0.0003882000000000,  0.0009814400000000, -0.0001604700000000 ]  - [  -0.0001340800000000, -0.0009870100000000, -0.0013500100000000 ]  - [  -0.0001251500000000, -0.0003882600000000, -0.0005732200000000 ]  - [  -0.0001099400000000, -0.0009278500000000,  0.0002202700000000 ]  - [  -0.0001824000000000, -0.0005300900000000, -0.0002193100000000 ]  - [   0.0012529400000000,  0.0094320600000000,  0.0000310400000000 ]  - [   0.0000501900000000,  0.0022956300000000,  0.0005572700000000 ]  - [   0.0012795800000000, -0.0015805300000000, -0.0003830100000000 ]  - [  -0.0005898500000000, -0.0010700600000000,  0.0004741500000000 ]  - [  -0.0005208600000000, -0.0014911300000000,  0.0009596800000000 ]  - [   0.0006122500000000, -0.0010721800000000,  0.0004603400000000 ]  - [  -0.0000661300000000,  0.0018969200000000,  0.0003932600000000 ]  - [   0.0003882000000000,  0.0009814400000000,  0.0001604700000000 ]  - [   0.0001340800000000, -0.0009870100000000,  0.0013500100000000 ]  - [   0.0001251500000000, -0.0003882600000000,  0.0005732200000000 ]  - [   0.0001099400000000, -0.0009278500000000, -0.0002202700000000 ]  - [   0.0001824000000000, -0.0005300900000000,  0.0002193100000000 ]  - [  -0.0033317200000000,  0.0109723900000000, -0.0056021200000000 ]  - [  -0.0008572300000000,  0.0005427100000000,  0.0003400200000000 ]  - [  -0.0000702600000000, -0.0016756900000000, -0.0003472700000000 ]  - [  -0.0001681900000000, -0.0008760200000000, -0.0003991200000000 ]  - [  -0.0048928400000000, -0.0030991500000000, -0.0063237500000000 ]  - [   0.0008470300000000,  0.0000168700000000, -0.0008710100000000 ]  - [   0.0004383900000000,  0.0006380700000000, -0.0010938000000000 ]  - [  -0.0008082500000000,  0.0006619300000000, -0.0011826100000000 ]  - [  -0.0001085500000000, -0.0009019900000000, -0.0004391000000000 ]  - [  -0.0001772800000000, -0.0008020000000000, -0.0004383600000000 ]  - [  -0.0004284900000000, -0.0000050300000000,  0.0005435200000000 ]  - [   0.0003479600000000,  0.0004135800000000,  0.0001774600000000 ]  - [   0.0033317200000000,  0.0109723900000000,  0.0056021200000000 ]  - [   0.0008572300000000,  0.0005427100000000, -0.0003400200000000 ]  - [   0.0000702600000000, -0.0016756900000000,  0.0003472700000000 ]  - [   0.0001681900000000, -0.0008760200000000,  0.0003991200000000 ]  - [   0.0048928400000000, -0.0030991500000000,  0.0063237500000000 ]  - [  -0.0008470300000000,  0.0000168700000000,  0.0008710100000000 ]  - [  -0.0004383900000000,  0.0006380700000000,  0.0010938000000000 ]  - [   0.0008082500000000,  0.0006619300000000,  0.0011826100000000 ]  - [   0.0001085500000000, -0.0009019900000000,  0.0004391000000000 ]  - [   0.0001772800000000, -0.0008020000000000,  0.0004383600000000 ]  - [   0.0004284900000000, -0.0000050300000000, -0.0005435200000000 ]  - [  -0.0003479600000000,  0.0004135800000000, -0.0001774600000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.2634197000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013667400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0012917200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000641800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0013082000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000640500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009421600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0008962300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001397400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001975900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001403500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001998600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0023226100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006475300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0016837700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0008077000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.2313321800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003087400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005542500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005767600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0007381300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006553400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000928700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000056400000000,  0.0000000000000000 ]  - [   0.0005643000000000,  0.0010817500000000, -0.0008042400000000 ]  - [  -0.0005643000000000,  0.0010817500000000,  0.0008042400000000 ]  - [  -0.0000672100000000, -0.0002025700000000, -0.0000561800000000 ]  - [   0.0000672100000000, -0.0002025700000000,  0.0000561800000000 ]  - [  -0.0032810400000000,  0.0010864700000000, -0.0006393100000000 ]  - [   0.0032810400000000,  0.0010864700000000,  0.0006393100000000 ]  - [   0.0000636900000000,  0.0006177200000000,  0.0001642200000000 ]  - [  -0.0000636900000000,  0.0006177200000000, -0.0001642200000000 ]  - [  -0.0000170800000000,  0.0000163000000000, -0.0000229300000000 ]  - [   0.0000170800000000,  0.0000163000000000,  0.0000229300000000 ]  - [  -0.0000590800000000,  0.0006201600000000,  0.0000548600000000 ]  - [   0.0000590800000000,  0.0006201600000000, -0.0000548600000000 ]  - [   0.0055281500000000,  0.0003774300000000,  0.0001766800000000 ]  - [  -0.0055281500000000,  0.0003774300000000, -0.0001766800000000 ]  - [   0.0001422800000000, -0.0010564700000000,  0.0000518100000000 ]  - [  -0.0001422800000000, -0.0010564700000000, -0.0000518100000000 ]  - [  -0.0004242400000000, -0.0006122100000000,  0.0005271500000000 ]  - [   0.0004242400000000, -0.0006122100000000, -0.0005271500000000 ]  - [   0.0000428700000000, -0.0000980800000000,  0.0001034000000000 ]  - [  -0.0000428700000000, -0.0000980800000000, -0.0001034000000000 ]  - [   0.0000362700000000, -0.0007963600000000,  0.0000483000000000 ]  - [  -0.0000362700000000, -0.0007963600000000, -0.0000483000000000 ]  - [  -0.0000940800000000, -0.0003183400000000, -0.0000516300000000 ]  - [   0.0000940800000000, -0.0003183400000000,  0.0000516300000000 ]  - [  -0.0004618600000000,  0.0020612900000000,  0.0019728600000000 ]  - [   0.0000536800000000,  0.0003410500000000,  0.0000660800000000 ]  - [   0.0000393200000000, -0.0007672900000000,  0.0002206600000000 ]  - [   0.0001046500000000, -0.0004965000000000,  0.0000980300000000 ]  - [   0.0004781600000000, -0.0007721000000000, -0.0007606500000000 ]  - [  -0.0000580400000000, -0.0002863200000000, -0.0001683800000000 ]  - [   0.0004618600000000,  0.0020612900000000, -0.0019728600000000 ]  - [  -0.0000536800000000,  0.0003410500000000, -0.0000660800000000 ]  - [  -0.0000393200000000, -0.0007672900000000, -0.0002206600000000 ]  - [  -0.0001046500000000, -0.0004965000000000, -0.0000980300000000 ]  - [  -0.0004781600000000, -0.0007721000000000,  0.0007606500000000 ]  - [   0.0000580400000000, -0.0002863200000000,  0.0001683800000000 ]  - [  -0.0008173400000000, -0.0004801600000000,  0.0010653500000000 ]  - [   0.0001537600000000,  0.0000958100000000,  0.0001604000000000 ]  - [  -0.0000681200000000, -0.0004590800000000, -0.0001509300000000 ]  - [  -0.0000812700000000, -0.0002257300000000, -0.0000901500000000 ]  - [  -0.0003676500000000,  0.0013912700000000, -0.0018906400000000 ]  - [   0.0001237800000000,  0.0005635700000000, -0.0000641800000000 ]  - [   0.0008173400000000, -0.0004801600000000, -0.0010653500000000 ]  - [  -0.0001537600000000,  0.0000958100000000, -0.0001604000000000 ]  - [   0.0000681200000000, -0.0004590800000000,  0.0001509300000000 ]  - [   0.0000812700000000, -0.0002257300000000,  0.0000901500000000 ]  - [   0.0003676500000000,  0.0013912700000000,  0.0018906400000000 ]  - [  -0.0001237800000000,  0.0005635700000000,  0.0000641800000000 ]  - [   0.0026422500000000, -0.0020982900000000,  0.0025668400000000 ]  - [  -0.0002468100000000, -0.0001077000000000,  0.0002931800000000 ]  - [   0.0000447400000000, -0.0007645100000000,  0.0000171200000000 ]  - [   0.0001162200000000, -0.0005924600000000, -0.0001064900000000 ]  - [  -0.0006215100000000,  0.0009092200000000, -0.0006690000000000 ]  - [   0.0011420600000000, -0.0005238300000000, -0.0011999000000000 ]  - [   0.0002468100000000, -0.0001077000000000, -0.0002931800000000 ]  - [  -0.0026422500000000, -0.0020982900000000, -0.0025668400000000 ]  - [  -0.0001162200000000, -0.0005924600000000,  0.0001064900000000 ]  - [  -0.0000447400000000, -0.0007645100000000, -0.0000171200000000 ]  - [  -0.0011420600000000, -0.0005238300000000,  0.0011999000000000 ]  - [   0.0006215100000000,  0.0009092200000000,  0.0006690000000000 ]  - [   0.0007789600000000,  0.0015088400000000,  0.0008266600000000 ]  - [   0.0000929700000000,  0.0007655500000000,  0.0000167100000000 ]  - [   0.0000247600000000, -0.0004982800000000,  0.0000325900000000 ]  - [  -0.0001688700000000, -0.0002728000000000,  0.0001404500000000 ]  - [  -0.0014128400000000, -0.0008400200000000, -0.0014185200000000 ]  - [   0.0001874700000000, -0.0000517100000000, -0.0002538300000000 ]  - [  -0.0000929700000000,  0.0007655500000000, -0.0000167100000000 ]  - [  -0.0007789600000000,  0.0015088400000000, -0.0008266600000000 ]  - [   0.0001688700000000, -0.0002728000000000, -0.0001404500000000 ]  - [  -0.0000247600000000, -0.0004982800000000, -0.0000325900000000 ]  - [  -0.0001874700000000, -0.0000517100000000,  0.0002538300000000 ]  - [   0.0014128400000000, -0.0008400200000000,  0.0014185200000000 ]  - [   0.0010332200000000, -0.0094352800000000, -0.0008338200000000 ]  - [  -0.0002362900000000, -0.0022883500000000, -0.0002655800000000 ]  - [   0.0009891300000000,  0.0015716600000000, -0.0011870200000000 ]  - [  -0.0008577700000000,  0.0010691500000000, -0.0003390200000000 ]  - [  -0.0008105200000000,  0.0014940300000000,  0.0001530500000000 ]  - [   0.0003413400000000,  0.0010664000000000, -0.0003533800000000 ]  - [  -0.0003336600000000, -0.0018965500000000, -0.0004040200000000 ]  - [   0.0001083100000000, -0.0009802700000000, -0.0006448300000000 ]  - [  -0.0001421900000000,  0.0009840600000000,  0.0005282600000000 ]  - [  -0.0001489900000000,  0.0003905500000000, -0.0002394500000000 ]  - [  -0.0001675100000000,  0.0009271900000000, -0.0010388500000000 ]  - [  -0.0000914500000000,  0.0005256900000000, -0.0005925700000000 ]  - [  -0.0010332200000000, -0.0094352800000000,  0.0008338200000000 ]  - [   0.0002362900000000, -0.0022883500000000,  0.0002655800000000 ]  - [  -0.0009891300000000,  0.0015716600000000,  0.0011870200000000 ]  - [   0.0008577700000000,  0.0010691500000000,  0.0003390200000000 ]  - [   0.0008105200000000,  0.0014940300000000, -0.0001530500000000 ]  - [  -0.0003413400000000,  0.0010664000000000,  0.0003533800000000 ]  - [   0.0003336600000000, -0.0018965500000000,  0.0004040200000000 ]  - [  -0.0001083100000000, -0.0009802700000000,  0.0006448300000000 ]  - [   0.0001421900000000,  0.0009840600000000, -0.0005282600000000 ]  - [   0.0001489900000000,  0.0003905500000000,  0.0002394500000000 ]  - [   0.0001675100000000,  0.0009271900000000,  0.0010388500000000 ]  - [   0.0000914500000000,  0.0005256900000000,  0.0005925700000000 ]  - [   0.0027924100000000, -0.0105525100000000,  0.0044221200000000 ]  - [   0.0005833400000000, -0.0005287200000000, -0.0011511000000000 ]  - [  -0.0001991400000000,  0.0016732900000000, -0.0004598400000000 ]  - [  -0.0001087200000000,  0.0008743200000000, -0.0004118800000000 ]  - [   0.0047038000000000,  0.0030671900000000,  0.0055892000000000 ]  - [  -0.0011169800000000, -0.0000294700000000,  0.0000538500000000 ]  - [  -0.0007108200000000, -0.0006216600000000,  0.0002823700000000 ]  - [   0.0005305900000000, -0.0006528900000000,  0.0003680800000000 ]  - [  -0.0001639800000000,  0.0008999800000000, -0.0003751300000000 ]  - [  -0.0000995600000000,  0.0008001300000000, -0.0003752300000000 ]  - [   0.0001576100000000, -0.0000075700000000, -0.0013555500000000 ]  - [  -0.0006235900000000, -0.0004201800000000, -0.0009888600000000 ]  - [  -0.0027924100000000, -0.0105525100000000, -0.0044221200000000 ]  - [  -0.0005833400000000, -0.0005287200000000,  0.0011511000000000 ]  - [   0.0001991400000000,  0.0016732900000000,  0.0004598400000000 ]  - [   0.0001087200000000,  0.0008743200000000,  0.0004118800000000 ]  - [  -0.0047038000000000,  0.0030671900000000, -0.0055892000000000 ]  - [   0.0011169800000000, -0.0000294700000000, -0.0000538500000000 ]  - [   0.0007108200000000, -0.0006216600000000, -0.0002823700000000 ]  - [  -0.0005305900000000, -0.0006528900000000, -0.0003680800000000 ]  - [   0.0001639800000000,  0.0008999800000000,  0.0003751300000000 ]  - [   0.0000995600000000,  0.0008001300000000,  0.0003752300000000 ]  - [  -0.0001576100000000, -0.0000075700000000,  0.0013555500000000 ]  - [   0.0006235900000000, -0.0004201800000000,  0.0009888600000000 ]- atom:    1  displacement:    [  -0.0013256572109048,  0.0000000000000000,  0.0099117421757820 ]  forces:  - [   0.0378892200000000, -0.0002144200000000, -0.0586135300000000 ]  - [  -0.0001277600000000,  0.0004073700000000, -0.0003374100000000 ]  - [  -0.0000122300000000,  0.0004213700000000, -0.0002527600000000 ]  - [   0.0000841200000000,  0.0004048200000000, -0.0001824100000000 ]  - [   0.0000095100000000,  0.0004108000000000, -0.0002496100000000 ]  - [  -0.0002420400000000,  0.0004037200000000, -0.0002261600000000 ]  - [  -0.0002491700000000,  0.0004038600000000,  0.0020727900000000 ]  - [  -0.0001366300000000,  0.0004065000000000,  0.0004654100000000 ]  - [  -0.0001370400000000,  0.0004075700000000,  0.0003059500000000 ]  - [  -0.0000036100000000,  0.0004048600000000,  0.0001438200000000 ]  - [   0.0000723300000000,  0.0004049500000000,  0.0003338300000000 ]  - [   0.0000009000000000,  0.0004050100000000,  0.0001444900000000 ]  - [  -0.0005951800000000, -0.0004205200000000, -0.0015202300000000 ]  - [   0.0000804200000000, -0.0004062600000000, -0.0002002500000000 ]  - [   0.0002105100000000, -0.0004069700000000, -0.0003504200000000 ]  - [  -0.0000442700000000, -0.0004071500000000, -0.0000920600000000 ]  - [  -0.0028583000000000,  0.0004150700000000, -0.0054763100000000 ]  - [  -0.0003020500000000, -0.0004034600000000, -0.0004776200000000 ]  - [   0.0000558600000000, -0.0004033300000000,  0.0006241000000000 ]  - [   0.0000634100000000, -0.0004063500000000,  0.0002183300000000 ]  - [  -0.0000328600000000, -0.0004060400000000,  0.0001796800000000 ]  - [  -0.0000303700000000, -0.0004063000000000,  0.0001111900000000 ]  - [  -0.0003219200000000, -0.0004063700000000,  0.0011674000000000 ]  - [  -0.0001579700000000, -0.0004048300000000,  0.0003958900000000 ]  - [   0.0011085100000000,  0.0001922100000000, -0.0012885600000000 ]  - [   0.0010987600000000,  0.0005943900000000, -0.0012781400000000 ]  - [   0.0000013100000000,  0.0003594100000000, -0.0001126200000000 ]  - [   0.0000018800000000,  0.0004528000000000, -0.0001128800000000 ]  - [  -0.0010085100000000, -0.0004759000000000, -0.0015703900000000 ]  - [  -0.0010246200000000,  0.0012765900000000, -0.0015634900000000 ]  - [  -0.0003119300000000,  0.0004705500000000,  0.0006704500000000 ]  - [  -0.0003083600000000,  0.0003452600000000,  0.0006673500000000 ]  - [   0.0000007700000000,  0.0003863400000000,  0.0001127300000000 ]  - [   0.0000009800000000,  0.0004252700000000,  0.0001124300000000 ]  - [   0.0000272100000000,  0.0005592800000000,  0.0007153000000000 ]  - [   0.0000281900000000,  0.0002489100000000,  0.0007127800000000 ]  - [  -0.0011986300000000,  0.0001399100000000, -0.0022705500000000 ]  - [  -0.0012698700000000, -0.0009740400000000, -0.0022658800000000 ]  - [  -0.0000223500000000, -0.0004371800000000, -0.0001335400000000 ]  - [  -0.0000205100000000, -0.0003735300000000, -0.0001329600000000 ]  - [   0.0001246600000000, -0.0009854600000000, -0.0006125400000000 ]  - [   0.0001221500000000,  0.0001710900000000, -0.0006055900000000 ]  - [  -0.0000458500000000, -0.0005017400000000,  0.0008426200000000 ]  - [  -0.0000431000000000, -0.0003062700000000,  0.0008414800000000 ]  - [   0.0000179900000000, -0.0004478300000000,  0.0001336500000000 ]  - [   0.0000181200000000, -0.0003634100000000,  0.0001333000000000 ]  - [  -0.0001267800000000, -0.0003693000000000,  0.0003964000000000 ]  - [  -0.0001260900000000, -0.0004455700000000,  0.0003951400000000 ]  - [  -0.0021801100000000, -0.0030057700000000,  0.0131782600000000 ]  - [  -0.0000599100000000, -0.0001712400000000, -0.0000803500000000 ]  - [  -0.0000391800000000, -0.0004021600000000, -0.0000119700000000 ]  - [   0.0000329600000000, -0.0002023600000000,  0.0000192300000000 ]  - [   0.0000570500000000,  0.0003789400000000,  0.0001000800000000 ]  - [  -0.0001154600000000,  0.0000030400000000,  0.0000331700000000 ]  - [  -0.0022487200000000,  0.0028074800000000,  0.0134262400000000 ]  - [  -0.0000611600000000, -0.0001215800000000, -0.0000840100000000 ]  - [  -0.0000399000000000,  0.0001071800000000, -0.0000116900000000 ]  - [   0.0000315600000000, -0.0000938200000000,  0.0000174800000000 ]  - [   0.0000616800000000, -0.0006731400000000,  0.0000954000000000 ]  - [  -0.0001166900000000, -0.0002991100000000,  0.0000327500000000 ]  - [  -0.0005622100000000, -0.0011460600000000,  0.0004383200000000 ]  - [   0.0000908900000000,  0.0000396400000000,  0.0000041200000000 ]  - [   0.0000386600000000,  0.0002398300000000,  0.0000329200000000 ]  - [  -0.0000397700000000,  0.0001470300000000, -0.0000375800000000 ]  - [   0.0012871200000000,  0.0012046300000000,  0.0009489000000000 ]  - [  -0.0002859800000000,  0.0001854300000000, -0.0000031900000000 ]  - [  -0.0005583700000000,  0.0014419300000000,  0.0004330000000000 ]  - [   0.0000905900000000,  0.0002551000000000,  0.0000011600000000 ]  - [   0.0000385600000000,  0.0000558800000000,  0.0000326300000000 ]  - [  -0.0000399800000000,  0.0001473200000000, -0.0000385000000000 ]  - [   0.0012901300000000, -0.0009278400000000,  0.0009213200000000 ]  - [  -0.0002901300000000,  0.0001100000000000, -0.0000057700000000 ]  - [   0.0012713300000000, -0.0008612300000000,  0.0011542900000000 ]  - [  -0.0002814300000000, -0.0005248100000000, -0.0001097300000000 ]  - [   0.0000339600000000, -0.0000982800000000, -0.0000308900000000 ]  - [  -0.0000387400000000, -0.0000451700000000,  0.0000312700000000 ]  - [   0.0005475600000000,  0.0001897600000000, -0.0000421400000000 ]  - [  -0.0031209100000000,  0.0025046400000000,  0.0031470500000000 ]  - [  -0.0002841900000000,  0.0002319500000000, -0.0001150800000000 ]  - [   0.0012588800000000,  0.0005575700000000,  0.0011338200000000 ]  - [  -0.0000388100000000, -0.0002503300000000,  0.0000305200000000 ]  - [   0.0000346900000000, -0.0001955800000000, -0.0000305400000000 ]  - [  -0.0031489700000000, -0.0028346200000000,  0.0031863200000000 ]  - [   0.0005491200000000, -0.0004903200000000, -0.0000445900000000 ]  - [   0.0015850700000000,  0.0001401200000000,  0.0007970200000000 ]  - [  -0.0013368700000000, -0.0007003200000000,  0.0005868100000000 ]  - [   0.0000503000000000, -0.0000649500000000, -0.0000127400000000 ]  - [  -0.0000438000000000,  0.0000552500000000,  0.0000184600000000 ]  - [   0.0006580100000000,  0.0007478200000000,  0.0005083200000000 ]  - [  -0.0000955700000000,  0.0006065700000000,  0.0000718800000000 ]  - [  -0.0013450200000000,  0.0010099300000000,  0.0005877400000000 ]  - [   0.0015972500000000,  0.0001582600000000,  0.0007969700000000 ]  - [  -0.0000444100000000,  0.0002398000000000,  0.0000179800000000 ]  - [   0.0000519500000000,  0.0003581100000000, -0.0000131100000000 ]  - [  -0.0000952300000000, -0.0003156900000000,  0.0000702700000000 ]  - [   0.0006484400000000, -0.0004488800000000,  0.0004981100000000 ]  - [  -0.0103766100000000,  0.0040239000000000,  0.0128176500000000 ]  - [  -0.0008386600000000, -0.0006200300000000,  0.0010023100000000 ]  - [   0.0001935400000000,  0.0005481200000000,  0.0003407200000000 ]  - [  -0.0005308300000000,  0.0003858700000000, -0.0000031600000000 ]  - [  -0.0002178200000000, -0.0006263800000000, -0.0002181500000000 ]  - [  -0.0000867600000000,  0.0000328200000000,  0.0000268500000000 ]  - [  -0.0016288200000000,  0.0015459200000000, -0.0039786200000000 ]  - [   0.0008448700000000, -0.0002135300000000, -0.0017975600000000 ]  - [  -0.0001866700000000, -0.0007214400000000, -0.0012729800000000 ]  - [  -0.0000658900000000, -0.0001679500000000, -0.0007311000000000 ]  - [  -0.0001810800000000,  0.0002463800000000, -0.0007879500000000 ]  - [  -0.0000092800000000,  0.0002005500000000, -0.0006850300000000 ]  - [  -0.0109526400000000, -0.0044191900000000,  0.0141912500000000 ]  - [  -0.0005653800000000,  0.0006119900000000,  0.0018239400000000 ]  - [   0.0004773800000000, -0.0005436800000000,  0.0011542700000000 ]  - [  -0.0002543700000000, -0.0003788700000000,  0.0008124500000000 ]  - [   0.0000532000000000,  0.0006245000000000,  0.0005958300000000 ]  - [   0.0001897900000000, -0.0000340900000000,  0.0008378400000000 ]  - [  -0.0013432700000000, -0.0015329600000000, -0.0031511000000000 ]  - [   0.0011085600000000,  0.0002109200000000, -0.0009802100000000 ]  - [   0.0000914200000000,  0.0007203900000000, -0.0004648700000000 ]  - [   0.0002055100000000,  0.0001661000000000,  0.0000785900000000 ]  - [   0.0000936100000000, -0.0002471800000000,  0.0000200900000000 ]  - [   0.0002633700000000, -0.0001981400000000,  0.0001266900000000 ]  - [  -0.0020921000000000,  0.0012534800000000,  0.0045334000000000 ]  - [   0.0003763500000000,  0.0006532100000000,  0.0003736000000000 ]  - [  -0.0001936300000000,  0.0001167000000000, -0.0001577700000000 ]  - [  -0.0000861800000000, -0.0000028400000000, -0.0002880400000000 ]  - [  -0.0016616000000000, -0.0000056500000000,  0.0023452500000000 ]  - [   0.0010814400000000, -0.0008296500000000,  0.0001539800000000 ]  - [   0.0015008800000000, -0.0015282200000000, -0.0030769600000000 ]  - [  -0.0007054800000000, -0.0002509900000000, -0.0013183200000000 ]  - [  -0.0000592000000000, -0.0000286300000000, -0.0006348900000000 ]  - [  -0.0002048200000000, -0.0000640300000000, -0.0005408500000000 ]  - [  -0.0000733200000000,  0.0011053300000000, -0.0021337000000000 ]  - [  -0.0002623500000000,  0.0001809800000000, -0.0009144600000000 ]  - [  -0.0017195900000000, -0.0010327000000000,  0.0054573700000000 ]  - [   0.0006460900000000, -0.0006583400000000,  0.0012028500000000 ]  - [   0.0000768200000000, -0.0001197300000000,  0.0006516900000000 ]  - [   0.0001883300000000,  0.0000050000000000,  0.0005247400000000 ]  - [  -0.0013464800000000, -0.0000200700000000,  0.0031913500000000 ]  - [   0.0013621100000000,  0.0008377100000000,  0.0009742200000000 ]  - [   0.0017665400000000,  0.0015141200000000, -0.0022610300000000 ]  - [  -0.0004305600000000,  0.0002446300000000, -0.0005118600000000 ]  - [   0.0002137800000000,  0.0000278000000000,  0.0001762700000000 ]  - [   0.0000691500000000,  0.0000651000000000,  0.0002700700000000 ]  - [   0.0002068700000000, -0.0010954400000000, -0.0013196100000000 ]  - [   0.0000107500000000, -0.0001774400000000, -0.0001055400000000 ]- atom:   49  displacement:    [   0.0099998501330775,  0.0000000000000000, -0.0000547477487254 ]  forces:  - [  -0.0027103100000000,  0.0008828000000000, -0.0027053200000000 ]  - [   0.0009935400000000,  0.0003520000000000,  0.0000750500000000 ]  - [  -0.0004769800000000, -0.0000719000000000, -0.0000049000000000 ]  - [   0.0003616500000000,  0.0004638000000000, -0.0000674100000000 ]  - [  -0.0003061300000000,  0.0003684100000000, -0.0000809000000000 ]  - [   0.0003224500000000,  0.0003001200000000,  0.0000764900000000 ]  - [  -0.0027251100000000, -0.0000624800000000, -0.0026349600000000 ]  - [   0.0009939100000000,  0.0004592100000000,  0.0000713500000000 ]  - [  -0.0004799700000000,  0.0008865900000000, -0.0000031400000000 ]  - [   0.0003621100000000,  0.0003499000000000, -0.0000685400000000 ]  - [  -0.0003054700000000,  0.0004448500000000, -0.0000792000000000 ]  - [   0.0003217100000000,  0.0005100700000000,  0.0000763600000000 ]  - [  -0.0011743500000000, -0.0012330400000000, -0.0007262800000000 ]  - [   0.0007164700000000, -0.0002506400000000,  0.0001878800000000 ]  - [  -0.0001753800000000, -0.0004733900000000,  0.0000143500000000 ]  - [   0.0001744000000000, -0.0004880700000000, -0.0000171200000000 ]  - [  -0.0019214500000000, -0.0007542600000000,  0.0010351000000000 ]  - [   0.0008971300000000, -0.0002828500000000, -0.0001691300000000 ]  - [  -0.0011813900000000,  0.0004255600000000, -0.0007256900000000 ]  - [   0.0007169500000000, -0.0005596500000000,  0.0001858700000000 ]  - [  -0.0001754600000000, -0.0003377100000000,  0.0000149600000000 ]  - [   0.0001743700000000, -0.0003258300000000, -0.0000170900000000 ]  - [  -0.0019182000000000, -0.0000482000000000,  0.0010399900000000 ]  - [   0.0008990000000000, -0.0005307600000000, -0.0001727900000000 ]  - [   0.0033839200000000, -0.0007456600000000, -0.0027220500000000 ]  - [  -0.0001320400000000,  0.0010238800000000,  0.0005375300000000 ]  - [   0.0000342300000000,  0.0002915300000000, -0.0000341400000000 ]  - [  -0.0000315300000000,  0.0003603900000000,  0.0000309600000000 ]  - [  -0.0000478400000000,  0.0006555300000000, -0.0002901200000000 ]  - [   0.0008295200000000, -0.0022460200000000,  0.0013852000000000 ]  - [  -0.0001266000000000, -0.0002089900000000,  0.0005362900000000 ]  - [   0.0034004000000000,  0.0015598400000000, -0.0027295500000000 ]  - [  -0.0000303800000000,  0.0004526100000000,  0.0000318000000000 ]  - [   0.0000331200000000,  0.0005217900000000, -0.0000337700000000 ]  - [   0.0008263800000000,  0.0030444700000000,  0.0013777100000000 ]  - [  -0.0000533700000000,  0.0001557800000000, -0.0002913900000000 ]  - [   0.0007614900000000, -0.0003077100000000, -0.0012524800000000 ]  - [   0.0005262200000000,  0.0003693400000000,  0.0016735900000000 ]  - [   0.0000544200000000, -0.0005754000000000, -0.0000379100000000 ]  - [  -0.0000561100000000, -0.0003812000000000,  0.0000432100000000 ]  - [   0.0000515800000000, -0.0002179500000000, -0.0000914100000000 ]  - [   0.0003814200000000, -0.0018065800000000,  0.0007077600000000 ]  - [   0.0005340500000000, -0.0011820800000000,  0.0016689300000000 ]  - [   0.0007560600000000, -0.0005056000000000, -0.0012580400000000 ]  - [  -0.0000547900000000, -0.0004314600000000,  0.0000440900000000 ]  - [   0.0000531900000000, -0.0002357100000000, -0.0000380200000000 ]  - [   0.0003806300000000,  0.0009851100000000,  0.0007054500000000 ]  - [   0.0000477700000000, -0.0005945700000000, -0.0000896600000000 ]  - [  -0.0704896900000000, -0.0000727700000000, -0.0029755600000000 ]  - [   0.0023971100000000, -0.0001484400000000,  0.0000265100000000 ]  - [  -0.0003453000000000, -0.0001551000000000, -0.0000197900000000 ]  - [   0.0004303500000000, -0.0001470500000000,  0.0002204500000000 ]  - [  -0.0003455100000000, -0.0001403900000000, -0.0000709900000000 ]  - [   0.0004279300000000, -0.0001491300000000, -0.0002107300000000 ]  - [  -0.0003806600000000, -0.0001494100000000, -0.0002909200000000 ]  - [   0.0007316500000000, -0.0001481700000000,  0.0001348800000000 ]  - [  -0.0002978500000000, -0.0001478700000000, -0.0003264600000000 ]  - [   0.0002318200000000, -0.0001476700000000,  0.0001277400000000 ]  - [  -0.0002952400000000, -0.0001477600000000,  0.0001462500000000 ]  - [   0.0002319200000000, -0.0001482300000000,  0.0001336500000000 ]  - [  -0.0068503700000000,  0.0000350100000000, -0.0003744100000000 ]  - [   0.0011578200000000,  0.0001504100000000, -0.0001326500000000 ]  - [  -0.0002531800000000,  0.0001480200000000, -0.0000857400000000 ]  - [   0.0001527000000000,  0.0001481800000000, -0.0000096700000000 ]  - [  -0.0066495200000000,  0.0002481900000000, -0.0003834000000000 ]  - [   0.0011967800000000,  0.0001456000000000,  0.0001760100000000 ]  - [  -0.0004352400000000,  0.0001471900000000, -0.0002707800000000 ]  - [   0.0004632200000000,  0.0001485500000000, -0.0000732700000000 ]  - [  -0.0000933700000000,  0.0001483100000000, -0.0000377000000000 ]  - [   0.0002392300000000,  0.0001478300000000,  0.0001686700000000 ]  - [  -0.0004785600000000,  0.0001486800000000,  0.0000048100000000 ]  - [   0.0004605600000000,  0.0001473800000000,  0.0003316100000000 ]  - [   0.0009230500000000, -0.0018327100000000,  0.0007604100000000 ]  - [   0.0009158000000000,  0.0015442100000000,  0.0007603800000000 ]  - [   0.0000429500000000, -0.0001333400000000, -0.0000116000000000 ]  - [   0.0000416400000000, -0.0001622600000000, -0.0000117100000000 ]  - [   0.0009151100000000,  0.0015418100000000, -0.0008156400000000 ]  - [   0.0009064900000000, -0.0018459600000000, -0.0008160300000000 ]  - [  -0.0000029900000000, -0.0002564200000000, -0.0002087400000000 ]  - [  -0.0000049600000000, -0.0000402000000000, -0.0002111800000000 ]  - [  -0.0000494800000000, -0.0000935700000000,  0.0000130400000000 ]  - [  -0.0000502600000000, -0.0002021500000000,  0.0000128800000000 ]  - [   0.0000001500000000, -0.0000803800000000,  0.0002553500000000 ]  - [  -0.0000030000000000, -0.0002155300000000,  0.0002565200000000 ]  - [   0.0131204000000000,  0.0000679100000000,  0.0000414400000000 ]  - [   0.0134477000000000,  0.0002259700000000,  0.0000410600000000 ]  - [  -0.0000291100000000, -0.0002483200000000,  0.0000686600000000 ]  - [  -0.0000323500000000,  0.0005454100000000,  0.0000696600000000 ]  - [  -0.0000068000000000,  0.0005519200000000, -0.0001833300000000 ]  - [  -0.0000108700000000, -0.0002562900000000, -0.0001856400000000 ]  - [  -0.0001094900000000,  0.0002010700000000, -0.0000115600000000 ]  - [  -0.0001131900000000,  0.0000935900000000, -0.0000123200000000 ]  - [   0.0000352900000000,  0.0000106900000000, -0.0000709000000000 ]  - [   0.0000346300000000,  0.0002858400000000, -0.0000713000000000 ]  - [   0.0000223600000000,  0.0002299700000000,  0.0001944400000000 ]  - [   0.0000204800000000,  0.0000664900000000,  0.0001940100000000 ]  - [   0.0178230700000000, -0.0053159600000000,  0.0077422400000000 ]  - [  -0.0035316600000000, -0.0014871700000000,  0.0013135200000000 ]  - [   0.0012795100000000, -0.0012979600000000, -0.0011160500000000 ]  - [  -0.0015291400000000,  0.0010588000000000, -0.0003724600000000 ]  - [   0.0003899900000000,  0.0004584100000000, -0.0001477100000000 ]  - [  -0.0005361800000000, -0.0001085800000000, -0.0002842500000000 ]  - [   0.0005343500000000,  0.0006592200000000,  0.0001842200000000 ]  - [  -0.0012364100000000, -0.0000767800000000, -0.0014841800000000 ]  - [   0.0002435100000000, -0.0007410300000000,  0.0004448600000000 ]  - [  -0.0006149600000000,  0.0004200500000000, -0.0006491000000000 ]  - [   0.0001119400000000,  0.0000530000000000, -0.0003964100000000 ]  - [  -0.0005099200000000, -0.0003762800000000, -0.0007761600000000 ]  - [   0.0007915800000000, -0.0006592000000000,  0.0009993600000000 ]  - [  -0.0009594800000000,  0.0000775800000000, -0.0006773600000000 ]  - [   0.0005145300000000,  0.0007384900000000,  0.0012542200000000 ]  - [  -0.0003385000000000, -0.0004222100000000,  0.0001625200000000 ]  - [   0.0003841200000000, -0.0000544200000000,  0.0004162400000000 ]  - [  -0.0002351200000000,  0.0003770700000000,  0.0000351100000000 ]  - [   0.0176565100000000,  0.0048375300000000,  0.0080100600000000 ]  - [  -0.0032651900000000,  0.0015048900000000,  0.0021436600000000 ]  - [   0.0015338600000000,  0.0013083300000000, -0.0003185200000000 ]  - [  -0.0012542300000000, -0.0010663400000000,  0.0004401400000000 ]  - [   0.0006589400000000, -0.0004605000000000,  0.0006603600000000 ]  - [  -0.0002600400000000,  0.0001083500000000,  0.0005275900000000 ]  - [   0.0110945300000000, -0.0035587400000000, -0.0037530800000000 ]  - [  -0.0035588200000000, -0.0016320100000000, -0.0020653700000000 ]  - [   0.0000844800000000,  0.0002970600000000, -0.0004624300000000 ]  - [  -0.0004012700000000, -0.0000678500000000, -0.0004617000000000 ]  - [   0.0009663300000000, -0.0010935500000000,  0.0004206600000000 ]  - [  -0.0017448500000000,  0.0008613600000000, -0.0002864700000000 ]  - [   0.0014633800000000,  0.0002704400000000, -0.0005576300000000 ]  - [  -0.0016069200000000,  0.0000895000000000,  0.0001427900000000 ]  - [   0.0001603600000000, -0.0001207300000000, -0.0002866100000000 ]  - [  -0.0003934600000000, -0.0000938800000000, -0.0004165600000000 ]  - [   0.0008476700000000, -0.0002672000000000, -0.0011129500000000 ]  - [  -0.0006753700000000,  0.0000926300000000, -0.0005747600000000 ]  - [   0.0017460100000000, -0.0002615100000000,  0.0002582800000000 ]  - [  -0.0013337400000000, -0.0000901900000000,  0.0009497500000000 ]  - [   0.0004349500000000,  0.0001197200000000,  0.0005264000000000 ]  - [  -0.0001206500000000,  0.0000925700000000,  0.0003947500000000 ]  - [   0.0011297200000000,  0.0002636600000000, -0.0003006900000000 ]  - [  -0.0004047600000000, -0.0000905200000000,  0.0002364400000000 ]  - [   0.0117908000000000,  0.0039780500000000, -0.0034183800000000 ]  - [  -0.0032793600000000,  0.0016128000000000, -0.0012339800000000 ]  - [   0.0003623400000000, -0.0002968400000000,  0.0003466100000000 ]  - [  -0.0001299300000000,  0.0000664800000000,  0.0003498700000000 ]  - [   0.0012639800000000,  0.0010831700000000,  0.0012225800000000 ]  - [  -0.0014719200000000, -0.0008547100000000,  0.0005252400000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0007193800000000, -0.0018111700000000, -0.0028670500000000 ]  - [  -0.0001462500000000, -0.0000833000000000, -0.0000452300000000 ]  - [  -0.0001657100000000,  0.0010290400000000,  0.0005101400000000 ]  - [  -0.0000857800000000,  0.0005453000000000,  0.0001409600000000 ]  - [   0.0000149700000000,  0.0010270300000000, -0.0002534500000000 ]  - [  -0.0001072300000000,  0.0007551600000000, -0.0000689600000000 ]  - [  -0.0007193800000000, -0.0018111700000000,  0.0028670500000000 ]  - [   0.0001462500000000, -0.0000833000000000,  0.0000452300000000 ]  - [   0.0001657100000000,  0.0010290400000000, -0.0005101400000000 ]  - [   0.0000857800000000,  0.0005453000000000, -0.0001409600000000 ]  - [  -0.0000149700000000,  0.0010270300000000,  0.0002534500000000 ]  - [   0.0001072300000000,  0.0007551600000000,  0.0000689600000000 ]  - [   0.0002565100000000,  0.0002200000000000,  0.0013417700000000 ]  - [  -0.0002069400000000, -0.0003576200000000,  0.0000810300000000 ]  - [   0.0000749100000000,  0.0002005300000000, -0.0000818900000000 ]  - [  -0.0000008800000000, -0.0000326600000000,  0.0000003600000000 ]  - [   0.0008390400000000, -0.0016232100000000, -0.0009619100000000 ]  - [  -0.0002106600000000, -0.0008204600000000, -0.0000667000000000 ]  - [  -0.0002565100000000,  0.0002200000000000, -0.0013417700000000 ]  - [   0.0002069400000000, -0.0003576200000000, -0.0000810300000000 ]  - [  -0.0000749100000000,  0.0002005300000000,  0.0000818900000000 ]  - [   0.0000008800000000, -0.0000326600000000, -0.0000003600000000 ]  - [  -0.0008390400000000, -0.0016232100000000,  0.0009619100000000 ]  - [   0.0002106600000000, -0.0008204600000000,  0.0000667000000000 ]  - [  -0.0027688700000000,  0.0007864100000000,  0.0023259700000000 ]  - [   0.0002788400000000, -0.0006438000000000,  0.0003811900000000 ]  - [  -0.0000942500000000,  0.0008520500000000,  0.0000914100000000 ]  - [   0.0000379600000000,  0.0010253400000000,  0.0000548600000000 ]  - [   0.0003906800000000,  0.0003659500000000, -0.0003283500000000 ]  - [  -0.0005431700000000,  0.0023677200000000, -0.0007917500000000 ]  - [  -0.0002788400000000, -0.0006438000000000, -0.0003811900000000 ]  - [   0.0027688700000000,  0.0007864100000000, -0.0023259700000000 ]  - [  -0.0000379600000000,  0.0010253400000000, -0.0000548600000000 ]  - [   0.0000942500000000,  0.0008520500000000, -0.0000914100000000 ]  - [   0.0005431700000000,  0.0023677200000000,  0.0007917500000000 ]  - [  -0.0003906800000000,  0.0003659500000000,  0.0003283500000000 ]  - [  -0.0007560500000000, -0.0010353300000000,  0.0007622400000000 ]  - [  -0.0000710200000000, -0.0017750700000000, -0.0000029300000000 ]  - [  -0.0001353900000000,  0.0000141700000000,  0.0000754800000000 ]  - [   0.0002308000000000,  0.0002409000000000,  0.0002449400000000 ]  - [   0.0004579100000000, -0.0002038700000000, -0.0004022100000000 ]  - [  -0.0004158800000000,  0.0005762900000000, -0.0006574200000000 ]  - [   0.0000710200000000, -0.0017750700000000,  0.0000029300000000 ]  - [   0.0007560500000000, -0.0010353300000000, -0.0007622400000000 ]  - [  -0.0002308000000000,  0.0002409000000000, -0.0002449400000000 ]  - [   0.0001353900000000,  0.0000141700000000, -0.0000754800000000 ]  - [   0.0004158800000000,  0.0005762900000000,  0.0006574200000000 ]  - [  -0.0004579100000000, -0.0002038700000000,  0.0004022100000000 ]  - [   0.0000000000000000, -0.1099976800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006563700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0022535600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001691900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0022290000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001704400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006951200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006884300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001598100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000175300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001612700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000182900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0370577900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000433300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011681100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005556000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0298945800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001853000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001665300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001103200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005596200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005047500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000415300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000018600000000,  0.0000000000000000 ]  - [  -0.0016986000000000,  0.0000455500000000, -0.0006253900000000 ]  - [   0.0016986000000000,  0.0000455500000000,  0.0006253900000000 ]  - [  -0.0000157700000000,  0.0004564900000000, -0.0000875400000000 ]  - [   0.0000157700000000,  0.0004564900000000,  0.0000875400000000 ]  - [   0.0016833000000000,  0.0000535500000000, -0.0005810100000000 ]  - [  -0.0016833000000000,  0.0000535500000000,  0.0005810100000000 ]  - [  -0.0000657400000000, -0.0003230400000000,  0.0002504900000000 ]  - [   0.0000657400000000, -0.0003230400000000, -0.0002504900000000 ]  - [  -0.0000545900000000,  0.0002296800000000, -0.0000351100000000 ]  - [   0.0000545900000000,  0.0002296800000000,  0.0000351100000000 ]  - [   0.0001099500000000, -0.0003211700000000,  0.0001798800000000 ]  - [  -0.0001099500000000, -0.0003211700000000, -0.0001798800000000 ]  - [  -0.0000489600000000, -0.0028437900000000, -0.0005790200000000 ]  - [   0.0000489600000000, -0.0028437900000000,  0.0005790200000000 ]  - [  -0.0003981600000000,  0.0008070300000000,  0.0001082000000000 ]  - [   0.0003981600000000,  0.0008070300000000, -0.0001082000000000 ]  - [   0.0004029400000000,  0.0007521500000000,  0.0000674500000000 ]  - [  -0.0004029400000000,  0.0007521500000000, -0.0000674500000000 ]  - [   0.0000553800000000, -0.0003612500000000,  0.0001347100000000 ]  - [  -0.0000553800000000, -0.0003612500000000, -0.0001347100000000 ]  - [  -0.0001375600000000,  0.0003948600000000,  0.0000400600000000 ]  - [   0.0001375600000000,  0.0003948600000000, -0.0000400600000000 ]  - [   0.0000829000000000,  0.0003763600000000,  0.0001488900000000 ]  - [  -0.0000829000000000,  0.0003763600000000, -0.0001488900000000 ]  - [  -0.0090716900000000,  0.0145000800000000, -0.0087790900000000 ]  - [  -0.0005059900000000,  0.0014875700000000,  0.0002087200000000 ]  - [  -0.0028451600000000, -0.0029834400000000, -0.0032792600000000 ]  - [   0.0006920800000000, -0.0007172800000000, -0.0006874900000000 ]  - [   0.0000755000000000, -0.0016614700000000, -0.0001741600000000 ]  - [  -0.0002461300000000, -0.0008744200000000, -0.0002704400000000 ]  - [   0.0007433400000000,  0.0010845000000000, -0.0005798500000000 ]  - [  -0.0006107700000000,  0.0009194300000000, -0.0009421100000000 ]  - [  -0.0005421100000000, -0.0004917300000000,  0.0003426000000000 ]  - [  -0.0000456300000000, -0.0000835400000000, -0.0002718100000000 ]  - [  -0.0000140200000000, -0.0007784100000000, -0.0004890200000000 ]  - [  -0.0002652400000000, -0.0008374800000000, -0.0005848800000000 ]  - [  -0.0007433400000000,  0.0010845000000000,  0.0005798500000000 ]  - [   0.0006107700000000,  0.0009194300000000,  0.0009421100000000 ]  - [   0.0005421100000000, -0.0004917300000000, -0.0003426000000000 ]  - [   0.0000456300000000, -0.0000835400000000,  0.0002718100000000 ]  - [   0.0000140200000000, -0.0007784100000000,  0.0004890200000000 ]  - [   0.0002652400000000, -0.0008374800000000,  0.0005848800000000 ]  - [   0.0090716900000000,  0.0145000800000000,  0.0087790900000000 ]  - [   0.0005059900000000,  0.0014875700000000, -0.0002087200000000 ]  - [   0.0028451600000000, -0.0029834400000000,  0.0032792600000000 ]  - [  -0.0006920800000000, -0.0007172800000000,  0.0006874900000000 ]  - [  -0.0000755000000000, -0.0016614700000000,  0.0001741600000000 ]  - [   0.0002461300000000, -0.0008744200000000,  0.0002704400000000 ]  - [  -0.0034153800000000,  0.0122592800000000,  0.0032015500000000 ]  - [  -0.0006069800000000,  0.0013106200000000, -0.0010559400000000 ]  - [   0.0002246700000000, -0.0015988000000000, -0.0007107700000000 ]  - [  -0.0003561500000000, -0.0008840400000000, -0.0005500400000000 ]  - [  -0.0026887300000000, -0.0024647400000000,  0.0022788000000000 ]  - [   0.0010540200000000, -0.0004969000000000, -0.0002399200000000 ]  - [  -0.0000134100000000,  0.0015158200000000, -0.0000762100000000 ]  - [  -0.0007434600000000,  0.0007174500000000,  0.0000967700000000 ]  - [  -0.0000267200000000, -0.0009733500000000, -0.0002094300000000 ]  - [  -0.0002830500000000, -0.0006198100000000, -0.0003323600000000 ]  - [   0.0001136900000000, -0.0004696200000000, -0.0012582200000000 ]  - [   0.0000644500000000, -0.0000242900000000, -0.0004432100000000 ]  - [   0.0000134100000000,  0.0015158200000000,  0.0000762100000000 ]  - [   0.0007434600000000,  0.0007174500000000, -0.0000967700000000 ]  - [   0.0000267200000000, -0.0009733500000000,  0.0002094300000000 ]  - [   0.0002830500000000, -0.0006198100000000,  0.0003323600000000 ]  - [  -0.0001136900000000, -0.0004696200000000,  0.0012582200000000 ]  - [  -0.0000644500000000, -0.0000242900000000,  0.0004432100000000 ]  - [   0.0034153800000000,  0.0122592800000000, -0.0032015500000000 ]  - [   0.0006069800000000,  0.0013106200000000,  0.0010559400000000 ]  - [  -0.0002246700000000, -0.0015988000000000,  0.0007107700000000 ]  - [   0.0003561500000000, -0.0008840400000000,  0.0005500400000000 ]  - [   0.0026887300000000, -0.0024647400000000, -0.0022788000000000 ]  - [  -0.0010540200000000, -0.0004969000000000,  0.0002399200000000 ]- atom:   49  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007148900000000,  0.0026412000000000,  0.0028048600000000 ]  - [   0.0001463900000000,  0.0008984000000000,  0.0000438900000000 ]  - [   0.0001642900000000, -0.0002171900000000, -0.0005075300000000 ]  - [   0.0000860000000000,  0.0002656100000000, -0.0001409300000000 ]  - [  -0.0000149200000000, -0.0002134300000000,  0.0002561600000000 ]  - [   0.0001074100000000,  0.0000576700000000,  0.0000690800000000 ]  - [   0.0007148900000000,  0.0026412000000000, -0.0028048600000000 ]  - [  -0.0001463900000000,  0.0008984000000000, -0.0000438900000000 ]  - [  -0.0001642900000000, -0.0002171900000000,  0.0005075300000000 ]  - [  -0.0000860000000000,  0.0002656100000000,  0.0001409300000000 ]  - [   0.0000149200000000, -0.0002134300000000, -0.0002561600000000 ]  - [  -0.0001074100000000,  0.0000576700000000, -0.0000690800000000 ]  - [  -0.0002605700000000, -0.0010379200000000, -0.0013387900000000 ]  - [   0.0002064900000000, -0.0004591400000000, -0.0000811100000000 ]  - [  -0.0000754300000000, -0.0010138700000000,  0.0000833800000000 ]  - [   0.0000010500000000, -0.0007816700000000,  0.0000001300000000 ]  - [  -0.0008358800000000,  0.0008271300000000,  0.0009648500000000 ]  - [   0.0002121600000000,  0.0000091300000000,  0.0000659000000000 ]  - [   0.0002605700000000, -0.0010379200000000,  0.0013387900000000 ]  - [  -0.0002064900000000, -0.0004591400000000,  0.0000811100000000 ]  - [   0.0000754300000000, -0.0010138700000000, -0.0000833800000000 ]  - [  -0.0000010500000000, -0.0007816700000000, -0.0000001300000000 ]  - [   0.0008358800000000,  0.0008271300000000, -0.0009648500000000 ]  - [  -0.0002121600000000,  0.0000091300000000, -0.0000659000000000 ]  - [   0.0027615900000000,  0.0000244000000000, -0.0023210700000000 ]  - [  -0.0002780100000000,  0.0014579000000000, -0.0003794600000000 ]  - [   0.0000932500000000, -0.0000382500000000, -0.0000905400000000 ]  - [  -0.0000368400000000, -0.0002091700000000, -0.0000533400000000 ]  - [  -0.0003912400000000,  0.0004513100000000,  0.0003303800000000 ]  - [   0.0005353600000000, -0.0015565500000000,  0.0007834800000000 ]  - [   0.0002780100000000,  0.0014579000000000,  0.0003794600000000 ]  - [  -0.0027615900000000,  0.0000244000000000,  0.0023210700000000 ]  - [   0.0000368400000000, -0.0002091700000000,  0.0000533400000000 ]  - [  -0.0000932500000000, -0.0000382500000000,  0.0000905400000000 ]  - [  -0.0005353600000000, -0.0015565500000000, -0.0007834800000000 ]  - [   0.0003912400000000,  0.0004513100000000, -0.0003303800000000 ]  - [   0.0007546300000000,  0.0002210900000000, -0.0007613400000000 ]  - [   0.0000664000000000,  0.0009612400000000, -0.0000030500000000 ]  - [   0.0001344000000000, -0.0008282700000000, -0.0000745000000000 ]  - [  -0.0002298000000000, -0.0010525900000000, -0.0002435100000000 ]  - [  -0.0004611300000000, -0.0006078300000000,  0.0004052300000000 ]  - [   0.0004174100000000, -0.0013924500000000,  0.0006613500000000 ]  - [  -0.0000664000000000,  0.0009612400000000,  0.0000030500000000 ]  - [  -0.0007546300000000,  0.0002210900000000,  0.0007613400000000 ]  - [   0.0002298000000000, -0.0010525900000000,  0.0002435100000000 ]  - [  -0.0001344000000000, -0.0008282700000000,  0.0000745000000000 ]  - [  -0.0004174100000000, -0.0013924500000000, -0.0006613500000000 ]  - [   0.0004611300000000, -0.0006078300000000, -0.0004052300000000 ]  - [   0.0000000000000000,  0.1095376200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003605200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0025242900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004666400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0025492200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004653500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003973400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003927900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004568500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003138300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0004553300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003130800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0356246400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003355900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0008732100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002595100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0305196700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0004840200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0004593400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001844000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002632000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002094300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003399400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002948200000000,  0.0000000000000000 ]  - [   0.0016957000000000, -0.0003499800000000,  0.0006276400000000 ]  - [  -0.0016957000000000, -0.0003499800000000, -0.0006276400000000 ]  - [   0.0000143800000000, -0.0007521600000000,  0.0000876800000000 ]  - [  -0.0000143800000000, -0.0007521600000000, -0.0000876800000000 ]  - [  -0.0016871700000000, -0.0003422200000000,  0.0005809700000000 ]  - [   0.0016871700000000, -0.0003422200000000, -0.0005809700000000 ]  - [   0.0000666400000000,  0.0000251400000000, -0.0002496300000000 ]  - [  -0.0000666400000000,  0.0000251400000000,  0.0002496300000000 ]  - [   0.0000542700000000, -0.0005253200000000,  0.0000347400000000 ]  - [  -0.0000542700000000, -0.0005253200000000, -0.0000347400000000 ]  - [  -0.0001082800000000,  0.0000271100000000, -0.0001808000000000 ]  - [   0.0001082800000000,  0.0000271100000000,  0.0001808000000000 ]  - [   0.0001152600000000,  0.0031403600000000,  0.0005798000000000 ]  - [  -0.0001152600000000,  0.0031403600000000, -0.0005798000000000 ]  - [   0.0003946000000000, -0.0005114400000000, -0.0001071500000000 ]  - [  -0.0003946000000000, -0.0005114400000000,  0.0001071500000000 ]  - [  -0.0004058900000000, -0.0004557700000000, -0.0000677500000000 ]  - [   0.0004058900000000, -0.0004557700000000,  0.0000677500000000 ]  - [  -0.0000537200000000,  0.0006563700000000, -0.0001344000000000 ]  - [   0.0000537200000000,  0.0006563700000000,  0.0001344000000000 ]  - [   0.0001372000000000, -0.0000999200000000, -0.0000404200000000 ]  - [  -0.0001372000000000, -0.0000999200000000,  0.0000404200000000 ]  - [  -0.0000822400000000, -0.0000788700000000, -0.0001485700000000 ]  - [   0.0000822400000000, -0.0000788700000000,  0.0001485700000000 ]  - [   0.0092639800000000, -0.0147714300000000,  0.0084340200000000 ]  - [   0.0002266600000000, -0.0014967900000000, -0.0010132700000000 ]  - [   0.0025495300000000,  0.0029748300000000,  0.0024450700000000 ]  - [  -0.0009633800000000,  0.0007211500000000, -0.0001249000000000 ]  - [  -0.0003525400000000,  0.0016638400000000, -0.0006415900000000 ]  - [  -0.0000261000000000,  0.0008733800000000, -0.0005424500000000 ]  - [  -0.0010061200000000, -0.0010888700000000, -0.0002358500000000 ]  - [   0.0003375700000000, -0.0009209900000000,  0.0001328100000000 ]  - [   0.0002674100000000,  0.0004949700000000, -0.0011524100000000 ]  - [  -0.0002270000000000,  0.0000863300000000, -0.0005388500000000 ]  - [  -0.0002604700000000,  0.0007766900000000, -0.0003213300000000 ]  - [  -0.0000074400000000,  0.0008361300000000, -0.0002250700000000 ]  - [   0.0010061200000000, -0.0010888700000000,  0.0002358500000000 ]  - [  -0.0003375700000000, -0.0009209900000000, -0.0001328100000000 ]  - [  -0.0002674100000000,  0.0004949700000000,  0.0011524100000000 ]  - [   0.0002270000000000,  0.0000863300000000,  0.0005388500000000 ]  - [   0.0002604700000000,  0.0007766900000000,  0.0003213300000000 ]  - [   0.0000074400000000,  0.0008361300000000,  0.0002250700000000 ]  - [  -0.0092639800000000, -0.0147714300000000, -0.0084340200000000 ]  - [  -0.0002266600000000, -0.0014967900000000,  0.0010132700000000 ]  - [  -0.0025495300000000,  0.0029748300000000, -0.0024450700000000 ]  - [   0.0009633800000000,  0.0007211500000000,  0.0001249000000000 ]  - [   0.0003525400000000,  0.0016638400000000,  0.0006415900000000 ]  - [   0.0000261000000000,  0.0008733800000000,  0.0005424500000000 ]  - [   0.0027939500000000, -0.0120349100000000, -0.0036740700000000 ]  - [   0.0003380500000000, -0.0013004900000000,  0.0002527000000000 ]  - [  -0.0004933100000000,  0.0015956100000000, -0.0001056700000000 ]  - [   0.0000797900000000,  0.0008846800000000, -0.0002621000000000 ]  - [   0.0024387200000000,  0.0024676300000000, -0.0031162900000000 ]  - [  -0.0013312200000000,  0.0004938100000000, -0.0005723700000000 ]  - [  -0.0002649000000000, -0.0015050300000000, -0.0007387600000000 ]  - [   0.0004719800000000, -0.0007154300000000, -0.0009091500000000 ]  - [  -0.0002471200000000,  0.0009735400000000, -0.0005998300000000 ]  - [   0.0000089800000000,  0.0006209100000000, -0.0004790400000000 ]  - [  -0.0003904900000000,  0.0004627700000000,  0.0004478400000000 ]  - [  -0.0003379500000000,  0.0000215600000000, -0.0003682200000000 ]  - [   0.0002649000000000, -0.0015050300000000,  0.0007387600000000 ]  - [  -0.0004719800000000, -0.0007154300000000,  0.0009091500000000 ]  - [   0.0002471200000000,  0.0009735400000000,  0.0005998300000000 ]  - [  -0.0000089800000000,  0.0006209100000000,  0.0004790400000000 ]  - [   0.0003904900000000,  0.0004627700000000, -0.0004478400000000 ]  - [   0.0003379500000000,  0.0000215600000000,  0.0003682200000000 ]  - [  -0.0027939500000000, -0.0120349100000000,  0.0036740700000000 ]  - [  -0.0003380500000000, -0.0013004900000000, -0.0002527000000000 ]  - [   0.0004933100000000,  0.0015956100000000,  0.0001056700000000 ]  - [  -0.0000797900000000,  0.0008846800000000,  0.0002621000000000 ]  - [  -0.0024387200000000,  0.0024676300000000,  0.0031162900000000 ]  - [   0.0013312200000000,  0.0004938100000000,  0.0005723700000000 ]- atom:   49  displacement:    [  -0.0013256572109048,  0.0000000000000000,  0.0099117421757820 ]  forces:  - [  -0.0009523500000000, -0.0016280900000000,  0.0136202400000000 ]  - [  -0.0000040000000000,  0.0003478000000000, -0.0000766200000000 ]  - [   0.0001027500000000,  0.0012183600000000,  0.0001011700000000 ]  - [  -0.0000963200000000,  0.0005655500000000,  0.0000349500000000 ]  - [  -0.0001225800000000,  0.0001905100000000, -0.0000246200000000 ]  - [   0.0001343300000000,  0.0003206400000000,  0.0000312300000000 ]  - [  -0.0009292700000000,  0.0023790400000000,  0.0133257900000000 ]  - [  -0.0000032500000000,  0.0004634800000000, -0.0000733300000000 ]  - [   0.0001013100000000, -0.0004037200000000,  0.0001049400000000 ]  - [  -0.0000957600000000,  0.0002445000000000,  0.0000356500000000 ]  - [  -0.0001222500000000,  0.0006204600000000, -0.0000219900000000 ]  - [   0.0001346700000000,  0.0004885800000000,  0.0000321100000000 ]  - [   0.0006640500000000,  0.0007668300000000,  0.0005984700000000 ]  - [  -0.0002177100000000, -0.0002667600000000, -0.0000383300000000 ]  - [  -0.0000402000000000, -0.0005453200000000,  0.0000222300000000 ]  - [   0.0000397200000000, -0.0004853600000000, -0.0000270000000000 ]  - [  -0.0011883600000000, -0.0022351700000000,  0.0005976000000000 ]  - [   0.0001656600000000, -0.0004866300000000,  0.0000557300000000 ]  - [   0.0006580700000000, -0.0015743400000000,  0.0006011800000000 ]  - [  -0.0002157500000000, -0.0005453600000000, -0.0000371400000000 ]  - [  -0.0000406800000000, -0.0002657800000000,  0.0000236400000000 ]  - [   0.0000397200000000, -0.0003266800000000, -0.0000262100000000 ]  - [  -0.0011850800000000,  0.0014135700000000,  0.0006115400000000 ]  - [   0.0001646600000000, -0.0003236900000000,  0.0000581300000000 ]  - [  -0.0035356000000000,  0.0017534300000000,  0.0031267500000000 ]  - [   0.0004520100000000,  0.0009874000000000, -0.0000596600000000 ]  - [  -0.0000471200000000,  0.0005273200000000,  0.0000289100000000 ]  - [   0.0000424700000000,  0.0003943100000000, -0.0000306300000000 ]  - [  -0.0004631000000000,  0.0000806300000000, -0.0001391900000000 ]  - [   0.0010988400000000, -0.0018010100000000,  0.0011220800000000 ]  - [   0.0004506400000000, -0.0001757600000000, -0.0000539100000000 ]  - [  -0.0035133500000000, -0.0009360300000000,  0.0031018200000000 ]  - [   0.0000427900000000,  0.0004178100000000, -0.0000293200000000 ]  - [  -0.0000474900000000,  0.0002847500000000,  0.0000297800000000 ]  - [   0.0010957200000000,  0.0026126900000000,  0.0011203900000000 ]  - [  -0.0004614500000000,  0.0007293500000000, -0.0001345800000000 ]  - [  -0.0013360000000000, -0.0004099100000000,  0.0005864000000000 ]  - [   0.0014717800000000,  0.0003098300000000,  0.0007782400000000 ]  - [  -0.0000887400000000, -0.0002415200000000,  0.0000125300000000 ]  - [   0.0000951900000000, -0.0003762100000000, -0.0000068600000000 ]  - [  -0.0001197800000000, -0.0006813100000000,  0.0000669500000000 ]  - [   0.0003831700000000, -0.0016186400000000,  0.0004667700000000 ]  - [   0.0014664900000000, -0.0011230600000000,  0.0007845400000000 ]  - [  -0.0013315800000000, -0.0004014000000000,  0.0005915800000000 ]  - [   0.0000956700000000, -0.0004348600000000, -0.0000055200000000 ]  - [  -0.0000887700000000, -0.0005681800000000,  0.0000133400000000 ]  - [   0.0003845800000000,  0.0008055000000000,  0.0004690700000000 ]  - [  -0.0001217200000000, -0.0001302900000000,  0.0000699700000000 ]  - [   0.0060240700000000, -0.0002170300000000, -0.0694351600000000 ]  - [  -0.0002959600000000, -0.0001479700000000, -0.0005300600000000 ]  - [  -0.0000282200000000, -0.0001547100000000, -0.0004452300000000 ]  - [  -0.0002690900000000, -0.0001474500000000, -0.0003896500000000 ]  - [   0.0000226000000000, -0.0001402100000000, -0.0004385000000000 ]  - [   0.0001582300000000, -0.0001475300000000, -0.0003324600000000 ]  - [  -0.0002242800000000, -0.0001457500000000,  0.0026194600000000 ]  - [   0.0000396800000000, -0.0001483500000000,  0.0007888800000000 ]  - [   0.0001860000000000, -0.0001467900000000,  0.0005709700000000 ]  - [   0.0001019300000000, -0.0001473500000000,  0.0002931900000000 ]  - [  -0.0002825000000000, -0.0001489000000000,  0.0005083400000000 ]  - [   0.0000961200000000, -0.0001480000000000,  0.0002924200000000 ]  - [   0.0005023700000000,  0.0000360400000000, -0.0065808800000000 ]  - [  -0.0002867100000000,  0.0001469400000000, -0.0004949800000000 ]  - [  -0.0000519700000000,  0.0001479000000000, -0.0003222600000000 ]  - [  -0.0000297200000000,  0.0001478800000000, -0.0001739300000000 ]  - [   0.0004654800000000,  0.0002466800000000, -0.0067882700000000 ]  - [   0.0000137400000000,  0.0001481500000000, -0.0005800500000000 ]  - [  -0.0002038000000000,  0.0001494700000000,  0.0010333200000000 ]  - [  -0.0001301600000000,  0.0001484400000000,  0.0005079300000000 ]  - [  -0.0000224400000000,  0.0001478000000000,  0.0002439300000000 ]  - [   0.0001381200000000,  0.0001477200000000,  0.0002795200000000 ]  - [   0.0000783300000000,  0.0001455500000000,  0.0016213000000000 ]  - [   0.0002716600000000,  0.0001473900000000,  0.0005399800000000 ]  - [  -0.0009410200000000,  0.0006515000000000, -0.0019759600000000 ]  - [  -0.0009420000000000, -0.0009472600000000, -0.0019624100000000 ]  - [  -0.0000193900000000, -0.0000626900000000, -0.0002374800000000 ]  - [  -0.0000200300000000, -0.0002321900000000, -0.0002372600000000 ]  - [   0.0006239100000000,  0.0002498200000000, -0.0017576900000000 ]  - [   0.0006177900000000, -0.0005422400000000, -0.0017627800000000 ]  - [   0.0002570400000000, -0.0003107200000000,  0.0010318600000000 ]  - [   0.0002598000000000,  0.0000177300000000,  0.0010317100000000 ]  - [   0.0000194100000000, -0.0001202300000000,  0.0002454800000000 ]  - [   0.0000195700000000, -0.0001751200000000,  0.0002452400000000 ]  - [  -0.0002053800000000, -0.0004060900000000,  0.0009710700000000 ]  - [  -0.0002013200000000,  0.0001071500000000,  0.0009690700000000 ]  - [  -0.0017037900000000, -0.0004156200000000, -0.0034028500000000 ]  - [  -0.0017705000000000,  0.0007115100000000, -0.0033893000000000 ]  - [   0.0000730600000000,  0.0003069100000000, -0.0003337500000000 ]  - [   0.0000709100000000, -0.0000118600000000, -0.0003327400000000 ]  - [  -0.0001827000000000,  0.0001617900000000, -0.0005389800000000 ]  - [  -0.0001842400000000,  0.0001349500000000, -0.0005388100000000 ]  - [   0.0000084500000000,  0.0002739700000000,  0.0012091700000000 ]  - [   0.0000130000000000,  0.0000216900000000,  0.0012080200000000 ]  - [  -0.0000723400000000,  0.0002065100000000,  0.0003328900000000 ]  - [  -0.0000718900000000,  0.0000903500000000,  0.0003322500000000 ]  - [   0.0001933100000000,  0.0002834300000000,  0.0005501100000000 ]  - [   0.0001944000000000,  0.0000105800000000,  0.0005508400000000 ]  - [   0.0059938200000000, -0.0053942600000000,  0.0160948200000000 ]  - [   0.0006116700000000,  0.0008028600000000,  0.0006264100000000 ]  - [  -0.0009749800000000, -0.0007744200000000,  0.0010320500000000 ]  - [   0.0006674200000000, -0.0008576100000000,  0.0002407000000000 ]  - [  -0.0000128400000000,  0.0003944600000000,  0.0002471100000000 ]  - [  -0.0001191500000000,  0.0000379800000000, -0.0000430000000000 ]  - [   0.0019919500000000, -0.0008389200000000, -0.0036905700000000 ]  - [  -0.0009362000000000, -0.0000317400000000, -0.0018460700000000 ]  - [  -0.0000440300000000,  0.0007624000000000, -0.0018257900000000 ]  - [  -0.0003010700000000,  0.0003313500000000, -0.0010427700000000 ]  - [   0.0000158400000000, -0.0000692800000000, -0.0009173700000000 ]  - [  -0.0004294500000000, -0.0003449300000000, -0.0008903400000000 ]  - [   0.0022839700000000,  0.0008481100000000, -0.0028830800000000 ]  - [  -0.0006658400000000,  0.0000333400000000, -0.0010304400000000 ]  - [   0.0002290500000000, -0.0007691400000000, -0.0010143600000000 ]  - [  -0.0000277000000000, -0.0003336700000000, -0.0002280100000000 ]  - [   0.0002892800000000,  0.0000703600000000, -0.0001037800000000 ]  - [  -0.0001558500000000,  0.0003453000000000, -0.0000769600000000 ]  - [   0.0058511600000000,  0.0050286200000000,  0.0165876000000000 ]  - [   0.0008901800000000, -0.0008057800000000,  0.0014237000000000 ]  - [  -0.0007136100000000,  0.0007865800000000,  0.0018256600000000 ]  - [   0.0009385200000000,  0.0008541000000000,  0.0010484200000000 ]  - [   0.0002585200000000, -0.0003974400000000,  0.0010552200000000 ]  - [   0.0001550800000000, -0.0000388800000000,  0.0007674000000000 ]  - [  -0.0055491000000000,  0.0049091100000000,  0.0119412100000000 ]  - [  -0.0003935100000000, -0.0003463000000000,  0.0011866700000000 ]  - [  -0.0000643000000000, -0.0002993100000000,  0.0000990900000000 ]  - [  -0.0001022200000000,  0.0000253700000000, -0.0000377900000000 ]  - [   0.0007722000000000,  0.0013727900000000,  0.0012639000000000 ]  - [  -0.0010230600000000,  0.0004518300000000,  0.0004474300000000 ]  - [  -0.0010544800000000,  0.0015100500000000, -0.0035959800000000 ]  - [   0.0006858400000000, -0.0000286200000000, -0.0018405600000000 ]  - [  -0.0002732800000000,  0.0001547500000000, -0.0009177800000000 ]  - [  -0.0001078800000000,  0.0001023100000000, -0.0007563500000000 ]  - [  -0.0001483100000000, -0.0010883100000000, -0.0022302800000000 ]  - [  -0.0001792900000000, -0.0001806500000000, -0.0010769700000000 ]  - [  -0.0007951800000000, -0.0015246100000000, -0.0027880200000000 ]  - [   0.0009656600000000,  0.0000284500000000, -0.0010288100000000 ]  - [  -0.0000006200000000, -0.0001562400000000, -0.0001041200000000 ]  - [   0.0001662500000000, -0.0001033000000000,  0.0000559700000000 ]  - [   0.0001200300000000,  0.0010959900000000, -0.0014160600000000 ]  - [   0.0000962400000000,  0.0001827700000000, -0.0002627400000000 ]  - [  -0.0047008800000000, -0.0044035800000000,  0.0122955000000000 ]  - [  -0.0001268400000000,  0.0003557100000000,  0.0019880200000000 ]  - [   0.0002120600000000,  0.0002997200000000,  0.0009067200000000 ]  - [   0.0001699700000000, -0.0000255900000000,  0.0007736100000000 ]  - [   0.0010597000000000, -0.0013798500000000,  0.0020504600000000 ]  - [  -0.0007503300000000, -0.0004529100000000,  0.0012560000000000 ]- atom:   97  displacement:    [   0.0099998501330775,  0.0000000000000000, -0.0000547477487254 ]  forces:  - [   0.0157707800000000, -0.0006144800000000, -0.0083413100000000 ]  - [  -0.0031131800000000,  0.0005023200000000, -0.0011411600000000 ]  - [   0.0003866300000000,  0.0010762700000000, -0.0000318000000000 ]  - [  -0.0004747400000000, -0.0000687900000000, -0.0000147300000000 ]  - [   0.0012014300000000, -0.0007299400000000,  0.0004942000000000 ]  - [  -0.0011694200000000,  0.0011328300000000, -0.0005561500000000 ]  - [   0.0013767300000000,  0.0006067700000000, -0.0012954700000000 ]  - [  -0.0014269400000000,  0.0001581300000000,  0.0008037000000000 ]  - [   0.0003432300000000,  0.0004336100000000,  0.0000040400000000 ]  - [  -0.0003126600000000,  0.0003603400000000,  0.0000879800000000 ]  - [   0.0004553400000000,  0.0004164100000000,  0.0000173700000000 ]  - [  -0.0004136900000000,  0.0004211600000000,  0.0000173500000000 ]  - [   0.0012014300000000,  0.0007299400000000,  0.0004942000000000 ]  - [  -0.0011694200000000, -0.0011328300000000, -0.0005561500000000 ]  - [   0.0003866300000000, -0.0010762700000000, -0.0000318000000000 ]  - [  -0.0004747400000000,  0.0000687900000000, -0.0000147300000000 ]  - [   0.0157707800000000,  0.0006144800000000, -0.0083413100000000 ]  - [  -0.0031131800000000, -0.0005023200000000, -0.0011411600000000 ]  - [   0.0004553400000000, -0.0004164100000000,  0.0000173700000000 ]  - [  -0.0004136900000000, -0.0004211600000000,  0.0000173500000000 ]  - [   0.0003432300000000, -0.0004336100000000,  0.0000040400000000 ]  - [  -0.0003126600000000, -0.0003603400000000,  0.0000879800000000 ]  - [   0.0013767300000000, -0.0006067700000000, -0.0012954700000000 ]  - [  -0.0014269400000000, -0.0001581300000000,  0.0008037000000000 ]  - [  -0.0017245400000000,  0.0013883700000000,  0.0009967100000000 ]  - [   0.0025082300000000, -0.0043440100000000, -0.0011881300000000 ]  - [  -0.0003322100000000,  0.0003779800000000,  0.0000060100000000 ]  - [   0.0003329700000000,  0.0004715000000000, -0.0000153700000000 ]  - [  -0.0029959800000000, -0.0003146300000000,  0.0001077300000000 ]  - [   0.0064908800000000, -0.0027064900000000, -0.0010471500000000 ]  - [  -0.0005168500000000,  0.0008894700000000, -0.0001921200000000 ]  - [   0.0005501000000000,  0.0001097200000000,  0.0001504700000000 ]  - [  -0.0001576100000000,  0.0003691500000000, -0.0000886400000000 ]  - [   0.0001561100000000,  0.0004355200000000,  0.0001001500000000 ]  - [  -0.0008904600000000, -0.0002572000000000, -0.0006856700000000 ]  - [   0.0007617400000000,  0.0009868300000000,  0.0017645900000000 ]  - [  -0.0029959800000000,  0.0003146300000000,  0.0001077300000000 ]  - [   0.0064908800000000,  0.0027064900000000, -0.0010471500000000 ]  - [  -0.0003322100000000, -0.0003779800000000,  0.0000060100000000 ]  - [   0.0003329700000000, -0.0004715000000000, -0.0000153700000000 ]  - [  -0.0017245400000000, -0.0013883700000000,  0.0009967100000000 ]  - [   0.0025082300000000,  0.0043440100000000, -0.0011881300000000 ]  - [  -0.0008904600000000,  0.0002572000000000, -0.0006856700000000 ]  - [   0.0007617400000000, -0.0009868300000000,  0.0017645900000000 ]  - [  -0.0001576100000000, -0.0003691500000000, -0.0000886400000000 ]  - [   0.0001561100000000, -0.0004355200000000,  0.0001001500000000 ]  - [  -0.0005168500000000, -0.0008894700000000, -0.0001921200000000 ]  - [   0.0005501000000000, -0.0001097200000000,  0.0001504700000000 ]  - [   0.0175287100000000, -0.0090319000000000,  0.0080013400000000 ]  - [  -0.0034081500000000, -0.0005215500000000,  0.0002999700000000 ]  - [   0.0005229000000000,  0.0000652400000000,  0.0001899100000000 ]  - [  -0.0003982600000000, -0.0002592800000000, -0.0000374700000000 ]  - [   0.0014040800000000, -0.0028297700000000, -0.0006701200000000 ]  - [  -0.0013876600000000,  0.0006828200000000,  0.0006211400000000 ]  - [   0.0006708800000000,  0.0007264400000000,  0.0022643300000000 ]  - [  -0.0010960000000000, -0.0006195700000000, -0.0009473600000000 ]  - [   0.0002479900000000, -0.0000244200000000,  0.0001900100000000 ]  - [  -0.0003709200000000, -0.0002754400000000, -0.0003416300000000 ]  - [   0.0003737500000000, -0.0005574100000000,  0.0001520400000000 ]  - [  -0.0004753300000000, -0.0000576100000000, -0.0002256700000000 ]  - [   0.0014040800000000,  0.0028297700000000, -0.0006701200000000 ]  - [  -0.0013876600000000, -0.0006828200000000,  0.0006211400000000 ]  - [   0.0005229000000000, -0.0000652400000000,  0.0001899100000000 ]  - [  -0.0003982600000000,  0.0002592800000000, -0.0000374700000000 ]  - [   0.0175287100000000,  0.0090319000000000,  0.0080013400000000 ]  - [  -0.0034081500000000,  0.0005215500000000,  0.0002999700000000 ]  - [   0.0003737500000000,  0.0005574100000000,  0.0001520400000000 ]  - [  -0.0004753300000000,  0.0000576100000000, -0.0002256700000000 ]  - [   0.0002479900000000,  0.0000244200000000,  0.0001900100000000 ]  - [  -0.0003709200000000,  0.0002754400000000, -0.0003416300000000 ]  - [   0.0006708800000000, -0.0007264400000000,  0.0022643300000000 ]  - [  -0.0010960000000000,  0.0006195700000000, -0.0009473600000000 ]  - [  -0.0016143900000000,  0.0010403800000000, -0.0011128200000000 ]  - [   0.0011198600000000, -0.0027275600000000,  0.0010642900000000 ]  - [  -0.0002658300000000, -0.0003648900000000, -0.0000033600000000 ]  - [   0.0002249900000000,  0.0002126300000000,  0.0001012600000000 ]  - [  -0.0034113200000000, -0.0006135700000000, -0.0007230200000000 ]  - [   0.0116643000000000, -0.0034584200000000, -0.0039333900000000 ]  - [  -0.0005407200000000,  0.0000528600000000, -0.0001115900000000 ]  - [   0.0009934100000000,  0.0001090600000000,  0.0001308100000000 ]  - [  -0.0002569800000000, -0.0002942100000000, -0.0000029100000000 ]  - [   0.0002962200000000, -0.0000397200000000, -0.0000950200000000 ]  - [  -0.0014717500000000, -0.0007590600000000,  0.0006438400000000 ]  - [   0.0016030800000000, -0.0000238100000000, -0.0006982400000000 ]  - [  -0.0034113200000000,  0.0006135700000000, -0.0007230200000000 ]  - [   0.0116643000000000,  0.0034584200000000, -0.0039333900000000 ]  - [  -0.0002658300000000,  0.0003648900000000, -0.0000033600000000 ]  - [   0.0002249900000000, -0.0002126300000000,  0.0001012600000000 ]  - [  -0.0016143900000000, -0.0010403800000000, -0.0011128200000000 ]  - [   0.0011198600000000,  0.0027275600000000,  0.0010642900000000 ]  - [  -0.0014717500000000,  0.0007590600000000,  0.0006438400000000 ]  - [   0.0016030800000000,  0.0000238100000000, -0.0006982400000000 ]  - [  -0.0002569800000000,  0.0002942100000000, -0.0000029100000000 ]  - [   0.0002962200000000,  0.0000397200000000, -0.0000950200000000 ]  - [  -0.0005407200000000, -0.0000528600000000, -0.0001115900000000 ]  - [   0.0009934100000000, -0.0001090600000000,  0.0001308100000000 ]  - [  -0.1204145900000000,  0.0000000000000000,  0.0113295800000000 ]  - [   0.0067814300000000,  0.0000000000000000, -0.0007040200000000 ]  - [  -0.0032571200000000,  0.0006020200000000, -0.0010718500000000 ]  - [   0.0017669900000000, -0.0003669900000000, -0.0004117300000000 ]  - [  -0.0032571200000000, -0.0006020200000000, -0.0010718500000000 ]  - [   0.0017669900000000,  0.0003669900000000, -0.0004117300000000 ]  - [  -0.0032203000000000,  0.0000000000000000, -0.0019298300000000 ]  - [   0.0021911200000000,  0.0000000000000000, -0.0000165600000000 ]  - [  -0.0009553800000000, -0.0000075800000000, -0.0007467700000000 ]  - [   0.0006701000000000, -0.0002437400000000, -0.0001077500000000 ]  - [  -0.0009553800000000,  0.0000075800000000, -0.0007467700000000 ]  - [   0.0006701000000000,  0.0002437400000000, -0.0001077500000000 ]  - [   0.0087183300000000,  0.0000000000000000, -0.0066767900000000 ]  - [   0.0031455900000000,  0.0000000000000000,  0.0101806600000000 ]  - [   0.0003288300000000, -0.0009180100000000, -0.0001283700000000 ]  - [   0.0005871600000000,  0.0012347800000000,  0.0017274300000000 ]  - [   0.0003288300000000,  0.0009180100000000, -0.0001283700000000 ]  - [   0.0005871600000000, -0.0012347800000000,  0.0017274300000000 ]  - [   0.0061482800000000,  0.0000000000000000,  0.0096436500000000 ]  - [   0.0075728500000000,  0.0000000000000000, -0.0082735800000000 ]  - [   0.0000444600000000, -0.0012458500000000,  0.0010843700000000 ]  - [   0.0007174500000000,  0.0010116600000000, -0.0003414600000000 ]  - [   0.0000444600000000,  0.0012458500000000,  0.0010843700000000 ]  - [   0.0007174500000000, -0.0010116600000000, -0.0003414600000000 ]  - [   0.0079681200000000, -0.0103560200000000, -0.0004165500000000 ]  - [   0.0079944900000000,  0.0095135700000000,  0.0007131300000000 ]  - [  -0.0000432600000000,  0.0000000000000000, -0.0002450700000000 ]  - [  -0.0000484900000000,  0.0000000000000000, -0.0005895100000000 ]  - [   0.0079681200000000,  0.0103560200000000, -0.0004165500000000 ]  - [   0.0079944900000000, -0.0095135700000000,  0.0007131300000000 ]  - [   0.0000807200000000, -0.0011273000000000, -0.0006023300000000 ]  - [   0.0000772500000000,  0.0005169700000000, -0.0004605800000000 ]  - [  -0.0001412000000000,  0.0000000000000000, -0.0004115800000000 ]  - [  -0.0001421200000000,  0.0000000000000000, -0.0003063400000000 ]  - [   0.0000807200000000,  0.0011273000000000, -0.0006023300000000 ]  - [   0.0000772500000000, -0.0005169700000000, -0.0004605800000000 ]  - [  -0.0072622300000000, -0.0043420400000000, -0.0016308200000000 ]  - [   0.0032036600000000,  0.0004505000000000,  0.0008455600000000 ]  - [  -0.0007755800000000,  0.0000000000000000,  0.0002751000000000 ]  - [   0.0009334100000000,  0.0000000000000000,  0.0006120300000000 ]  - [  -0.0072622300000000,  0.0043420400000000, -0.0016308200000000 ]  - [   0.0032036600000000, -0.0004505000000000,  0.0008455600000000 ]  - [  -0.0095277600000000,  0.0010296700000000, -0.0004897400000000 ]  - [   0.0033443700000000, -0.0000298800000000,  0.0005469000000000 ]  - [  -0.0005689700000000,  0.0000000000000000,  0.0002363600000000 ]  - [   0.0007837400000000,  0.0000000000000000,  0.0004391100000000 ]  - [  -0.0095277600000000, -0.0010296700000000, -0.0004897400000000 ]  - [   0.0033443700000000,  0.0000298800000000,  0.0005469000000000 ]- atom:   97  displacement:    [  -0.0099998501330775,  0.0000000000000000,  0.0000547477487254 ]  forces:  - [  -0.0164712500000000,  0.0016822200000000,  0.0090148200000000 ]  - [   0.0030999300000000,  0.0003149400000000,  0.0011223900000000 ]  - [  -0.0003892500000000, -0.0002610700000000,  0.0000321800000000 ]  - [   0.0004772800000000,  0.0008836200000000,  0.0000131600000000 ]  - [  -0.0012082100000000,  0.0015476300000000, -0.0004971200000000 ]  - [   0.0011735300000000, -0.0003155300000000,  0.0005537800000000 ]  - [  -0.0013811800000000,  0.0002080000000000,  0.0012942100000000 ]  - [   0.0014270300000000,  0.0006557000000000, -0.0008002700000000 ]  - [  -0.0003439700000000,  0.0003830000000000, -0.0000039500000000 ]  - [   0.0003134700000000,  0.0004540100000000, -0.0000874800000000 ]  - [  -0.0004564600000000,  0.0003981700000000, -0.0000179000000000 ]  - [   0.0004150600000000,  0.0003960600000000, -0.0000160600000000 ]  - [  -0.0012082100000000, -0.0015476300000000, -0.0004971200000000 ]  - [   0.0011735300000000,  0.0003155300000000,  0.0005537800000000 ]  - [  -0.0003892500000000,  0.0002610700000000,  0.0000321800000000 ]  - [   0.0004772800000000, -0.0008836200000000,  0.0000131600000000 ]  - [  -0.0164712500000000, -0.0016822200000000,  0.0090148200000000 ]  - [   0.0030999300000000, -0.0003149400000000,  0.0011223900000000 ]  - [  -0.0004564600000000, -0.0003981700000000, -0.0000179000000000 ]  - [   0.0004150600000000, -0.0003960600000000, -0.0000160600000000 ]  - [  -0.0003439700000000, -0.0003830000000000, -0.0000039500000000 ]  - [   0.0003134700000000, -0.0004540100000000, -0.0000874800000000 ]  - [  -0.0013811800000000, -0.0002080000000000,  0.0012942100000000 ]  - [   0.0014270300000000, -0.0006557000000000, -0.0008002700000000 ]  - [   0.0017266400000000, -0.0005795300000000, -0.0010009200000000 ]  - [  -0.0024798400000000,  0.0051852300000000,  0.0012092700000000 ]  - [   0.0003320500000000,  0.0004376800000000, -0.0000063500000000 ]  - [  -0.0003324200000000,  0.0003442100000000,  0.0000153500000000 ]  - [   0.0029967700000000,  0.0011360400000000, -0.0001135700000000 ]  - [  -0.0064065000000000,  0.0033607900000000,  0.0011286000000000 ]  - [   0.0005151300000000, -0.0000736900000000,  0.0001935300000000 ]  - [  -0.0005482500000000,  0.0007061800000000, -0.0001506600000000 ]  - [   0.0001572900000000,  0.0004471000000000,  0.0000887700000000 ]  - [  -0.0001556100000000,  0.0003805800000000, -0.0000999900000000 ]  - [   0.0008887700000000,  0.0010743500000000,  0.0006883400000000 ]  - [  -0.0007593400000000, -0.0001696700000000, -0.0017652500000000 ]  - [   0.0029967700000000, -0.0011360400000000, -0.0001135700000000 ]  - [  -0.0064065000000000, -0.0033607900000000,  0.0011286000000000 ]  - [   0.0003320500000000, -0.0004376800000000, -0.0000063500000000 ]  - [  -0.0003324200000000, -0.0003442100000000,  0.0000153500000000 ]  - [   0.0017266400000000,  0.0005795300000000, -0.0010009200000000 ]  - [  -0.0024798400000000, -0.0051852300000000,  0.0012092700000000 ]  - [   0.0008887700000000, -0.0010743500000000,  0.0006883400000000 ]  - [  -0.0007593400000000,  0.0001696700000000, -0.0017652500000000 ]  - [   0.0001572900000000, -0.0004471000000000,  0.0000887700000000 ]  - [  -0.0001556100000000, -0.0003805800000000, -0.0000999900000000 ]  - [   0.0005151300000000,  0.0000736900000000,  0.0001935300000000 ]  - [  -0.0005482500000000, -0.0007061800000000, -0.0001506600000000 ]  - [  -0.0179564600000000,  0.0092104500000000, -0.0085166100000000 ]  - [   0.0034054300000000,  0.0002177200000000, -0.0002926200000000 ]  - [  -0.0005248900000000, -0.0003611900000000, -0.0001913000000000 ]  - [   0.0003997200000000, -0.0000384300000000,  0.0000376900000000 ]  - [  -0.0014106500000000,  0.0025322500000000,  0.0006725300000000 ]  - [   0.0013893400000000, -0.0009761400000000, -0.0006203900000000 ]  - [  -0.0006735400000000, -0.0010258100000000, -0.0022662800000000 ]  - [   0.0010999300000000,  0.0003218600000000,  0.0009460200000000 ]  - [  -0.0002491100000000, -0.0002726700000000, -0.0001903100000000 ]  - [   0.0003735400000000, -0.0000200900000000,  0.0003436900000000 ]  - [  -0.0003771400000000,  0.0002597900000000, -0.0001508600000000 ]  - [   0.0004785800000000, -0.0002375900000000,  0.0002260500000000 ]  - [  -0.0014106500000000, -0.0025322500000000,  0.0006725300000000 ]  - [   0.0013893400000000,  0.0009761400000000, -0.0006203900000000 ]  - [  -0.0005248900000000,  0.0003611900000000, -0.0001913000000000 ]  - [   0.0003997200000000,  0.0000384300000000,  0.0000376900000000 ]  - [  -0.0179564600000000, -0.0092104500000000, -0.0085166100000000 ]  - [   0.0034054300000000, -0.0002177200000000, -0.0002926200000000 ]  - [  -0.0003771400000000, -0.0002597900000000, -0.0001508600000000 ]  - [   0.0004785800000000,  0.0002375900000000,  0.0002260500000000 ]  - [  -0.0002491100000000,  0.0002726700000000, -0.0001903100000000 ]  - [   0.0003735400000000,  0.0000200900000000,  0.0003436900000000 ]  - [  -0.0006735400000000,  0.0010258100000000, -0.0022662800000000 ]  - [   0.0010999300000000, -0.0003218600000000,  0.0009460200000000 ]  - [   0.0016174500000000, -0.0013441200000000,  0.0011183100000000 ]  - [  -0.0011129900000000,  0.0024279100000000, -0.0010640200000000 ]  - [   0.0002651600000000,  0.0000693800000000,  0.0000035400000000 ]  - [  -0.0002237100000000, -0.0005097600000000, -0.0001024000000000 ]  - [   0.0034180700000000,  0.0003240900000000,  0.0007332100000000 ]  - [  -0.0112197900000000,  0.0027911100000000,  0.0034805800000000 ]  - [   0.0005392900000000, -0.0003507800000000,  0.0001093600000000 ]  - [  -0.0009930600000000, -0.0004052300000000, -0.0001268200000000 ]  - [   0.0002570400000000, -0.0000019200000000,  0.0000028200000000 ]  - [  -0.0002964600000000, -0.0002576800000000,  0.0000961700000000 ]  - [   0.0014691500000000,  0.0004614200000000, -0.0006447900000000 ]  - [  -0.0016004800000000, -0.0002725200000000,  0.0007033700000000 ]  - [   0.0034180700000000, -0.0003240900000000,  0.0007332100000000 ]  - [  -0.0112197900000000, -0.0027911100000000,  0.0034805800000000 ]  - [   0.0002651600000000, -0.0000693800000000,  0.0000035400000000 ]  - [  -0.0002237100000000,  0.0005097600000000, -0.0001024000000000 ]  - [   0.0016174500000000,  0.0013441200000000,  0.0011183100000000 ]  - [  -0.0011129900000000, -0.0024279100000000, -0.0010640200000000 ]  - [   0.0014691500000000, -0.0004614200000000, -0.0006447900000000 ]  - [  -0.0016004800000000,  0.0002725200000000,  0.0007033700000000 ]  - [   0.0002570400000000,  0.0000019200000000,  0.0000028200000000 ]  - [  -0.0002964600000000,  0.0002576800000000,  0.0000961700000000 ]  - [   0.0005392900000000,  0.0003507800000000,  0.0001093600000000 ]  - [  -0.0009930600000000,  0.0004052300000000, -0.0001268200000000 ]  - [   0.1213277400000000,  0.0000000000000000, -0.0117808600000000 ]  - [  -0.0070525200000000,  0.0000000000000000, -0.0001075000000000 ]  - [   0.0029892100000000, -0.0006139500000000,  0.0002669000000000 ]  - [  -0.0020443500000000,  0.0003727900000000, -0.0003989100000000 ]  - [   0.0029892100000000,  0.0006139500000000,  0.0002669000000000 ]  - [  -0.0020443500000000, -0.0003727900000000, -0.0003989100000000 ]  - [   0.0029475500000000,  0.0000000000000000,  0.0011180900000000 ]  - [  -0.0024649200000000,  0.0000000000000000, -0.0007954800000000 ]  - [   0.0006824100000000,  0.0000066600000000, -0.0000657600000000 ]  - [  -0.0009453600000000,  0.0002450300000000, -0.0007044600000000 ]  - [   0.0006824100000000, -0.0000066600000000, -0.0000657600000000 ]  - [  -0.0009453600000000, -0.0002450300000000, -0.0007044600000000 ]  - [  -0.0084730000000000,  0.0000000000000000,  0.0075204600000000 ]  - [  -0.0029058800000000,  0.0000000000000000, -0.0093267800000000 ]  - [  -0.0000503900000000,  0.0009206600000000,  0.0009419400000000 ]  - [  -0.0003209000000000, -0.0012405800000000, -0.0009215500000000 ]  - [  -0.0000503900000000, -0.0009206600000000,  0.0009419400000000 ]  - [  -0.0003209000000000,  0.0012405800000000, -0.0009215500000000 ]  - [  -0.0058681900000000,  0.0000000000000000, -0.0088881700000000 ]  - [  -0.0072936400000000,  0.0000000000000000,  0.0090422200000000 ]  - [   0.0002350400000000,  0.0012468100000000, -0.0002738300000000 ]  - [  -0.0004471200000000, -0.0010112000000000,  0.0011527500000000 ]  - [   0.0002350400000000, -0.0012468100000000, -0.0002738300000000 ]  - [  -0.0004471200000000,  0.0010112000000000,  0.0011527500000000 ]  - [  -0.0082698000000000,  0.0104354000000000, -0.0003969000000000 ]  - [  -0.0082557100000000, -0.0094271500000000, -0.0015146800000000 ]  - [  -0.0002279300000000,  0.0000000000000000, -0.0005662100000000 ]  - [  -0.0002292900000000,  0.0000000000000000, -0.0002203400000000 ]  - [  -0.0082698000000000, -0.0104354000000000, -0.0003969000000000 ]  - [  -0.0082557100000000,  0.0094271500000000, -0.0015146800000000 ]  - [  -0.0003510600000000,  0.0011273100000000, -0.0002071300000000 ]  - [  -0.0003559300000000, -0.0005155200000000, -0.0003551900000000 ]  - [  -0.0001313900000000,  0.0000000000000000, -0.0003993000000000 ]  - [  -0.0001333200000000,  0.0000000000000000, -0.0005072300000000 ]  - [  -0.0003510600000000, -0.0011273100000000, -0.0002071300000000 ]  - [  -0.0003559300000000,  0.0005155200000000, -0.0003551900000000 ]  - [   0.0075654700000000,  0.0043345100000000,  0.0024241800000000 ]  - [  -0.0029313000000000, -0.0004420000000000, -0.0000245500000000 ]  - [   0.0010525600000000,  0.0000000000000000,  0.0005352900000000 ]  - [  -0.0006609800000000,  0.0000000000000000,  0.0001999000000000 ]  - [   0.0075654700000000, -0.0043345100000000,  0.0024241800000000 ]  - [  -0.0029313000000000,  0.0004420000000000, -0.0000245500000000 ]  - [   0.0097955600000000, -0.0010583200000000,  0.0013339600000000 ]  - [  -0.0030710100000000,  0.0000371000000000,  0.0002555400000000 ]  - [   0.0008432300000000,  0.0000000000000000,  0.0005760000000000 ]  - [  -0.0005097100000000,  0.0000000000000000,  0.0003717200000000 ]  - [   0.0097955600000000,  0.0010583200000000,  0.0013339600000000 ]  - [  -0.0030710100000000, -0.0000371000000000,  0.0002555400000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0045466700000000,  0.0098444600000000,  0.0037150600000000 ]  - [  -0.0012357500000000,  0.0027004800000000, -0.0007863200000000 ]  - [   0.0005976000000000, -0.0010867200000000, -0.0005533500000000 ]  - [  -0.0002959700000000, -0.0006607700000000, -0.0000051600000000 ]  - [  -0.0008624000000000, -0.0011677000000000,  0.0004339500000000 ]  - [   0.0010500100000000, -0.0006644200000000,  0.0005261800000000 ]  - [   0.0005192900000000,  0.0023038000000000,  0.0016217900000000 ]  - [   0.0001817200000000,  0.0013884900000000, -0.0001897200000000 ]  - [   0.0000646800000000, -0.0005182100000000,  0.0002585100000000 ]  - [  -0.0002083200000000, -0.0001211000000000,  0.0001741900000000 ]  - [  -0.0004048400000000, -0.0005794500000000, -0.0007792800000000 ]  - [   0.0002297100000000,  0.0000160900000000, -0.0001367500000000 ]  - [   0.0008663300000000, -0.0019863000000000, -0.0004373100000000 ]  - [  -0.0010535600000000, -0.0014768500000000, -0.0005277900000000 ]  - [  -0.0005930300000000, -0.0018976800000000,  0.0005488300000000 ]  - [   0.0002944400000000, -0.0014766000000000,  0.0000049300000000 ]  - [   0.0044218300000000,  0.0090249900000000, -0.0036021300000000 ]  - [   0.0012355900000000,  0.0018829500000000,  0.0007861700000000 ]  - [   0.0004062400000000, -0.0013917500000000,  0.0007830300000000 ]  - [  -0.0002307100000000, -0.0007959700000000,  0.0001374800000000 ]  - [  -0.0000640600000000, -0.0013339900000000, -0.0002567900000000 ]  - [   0.0002070800000000, -0.0009354500000000, -0.0001732300000000 ]  - [  -0.0005176100000000,  0.0014889700000000, -0.0016243600000000 ]  - [  -0.0001814200000000,  0.0005747300000000,  0.0001889500000000 ]  - [   0.0008431500000000,  0.0004323300000000, -0.0007285300000000 ]  - [   0.0004106700000000, -0.0026509200000000,  0.0000661700000000 ]  - [  -0.0000361100000000, -0.0004680500000000, -0.0000089200000000 ]  - [   0.0001211500000000, -0.0012665300000000,  0.0001349700000000 ]  - [  -0.0006972500000000,  0.0009389800000000,  0.0005668900000000 ]  - [   0.0006984000000000,  0.0109516600000000,  0.0014093900000000 ]  - [   0.0001132100000000,  0.0008266400000000,  0.0001965600000000 ]  - [  -0.0009348600000000,  0.0004104700000000,  0.0009870300000000 ]  - [  -0.0000807500000000, -0.0003929500000000, -0.0000753200000000 ]  - [   0.0000017200000000, -0.0004948800000000, -0.0000272800000000 ]  - [  -0.0001591700000000,  0.0010617100000000, -0.0002714800000000 ]  - [   0.0006914200000000,  0.0010340200000000, -0.0014417700000000 ]  - [   0.0006941400000000,  0.0001312700000000, -0.0005704000000000 ]  - [  -0.0004142600000000,  0.0105718100000000, -0.0010435500000000 ]  - [   0.0000374800000000, -0.0012807000000000,  0.0000084000000000 ]  - [  -0.0001227700000000, -0.0020812500000000, -0.0001369700000000 ]  - [  -0.0008424800000000, -0.0003854600000000,  0.0007273600000000 ]  - [  -0.0004080400000000, -0.0035141200000000, -0.0000586100000000 ]  - [   0.0001574600000000,  0.0002528700000000,  0.0002703600000000 ]  - [  -0.0006937500000000,  0.0002260600000000,  0.0014416400000000 ]  - [   0.0000814100000000, -0.0012077100000000,  0.0000759700000000 ]  - [  -0.0000021400000000, -0.0013082300000000,  0.0000282700000000 ]  - [  -0.0001133100000000,  0.0000073400000000, -0.0001961500000000 ]  - [   0.0009333500000000, -0.0004071300000000, -0.0009844100000000 ]  - [  -0.0053296000000000,  0.0146407000000000, -0.0061663000000000 ]  - [  -0.0014928500000000,  0.0013462000000000,  0.0006134000000000 ]  - [   0.0004631100000000, -0.0018120400000000,  0.0004635500000000 ]  - [  -0.0001089500000000, -0.0010217600000000,  0.0000252700000000 ]  - [  -0.0012998000000000, -0.0031231900000000, -0.0009539100000000 ]  - [   0.0010562200000000, -0.0008681500000000, -0.0007201600000000 ]  - [   0.0006564300000000,  0.0009421400000000, -0.0007589500000000 ]  - [  -0.0000766000000000,  0.0007738300000000, -0.0000408700000000 ]  - [   0.0000534200000000, -0.0009253400000000, -0.0000628700000000 ]  - [  -0.0003798500000000, -0.0009841800000000, -0.0003984600000000 ]  - [  -0.0007355500000000, -0.0006425200000000,  0.0006737100000000 ]  - [   0.0004223600000000, -0.0002342800000000,  0.0003929300000000 ]  - [   0.0013174700000000, -0.0028342000000000,  0.0009694700000000 ]  - [  -0.0010605600000000, -0.0005706300000000,  0.0007223600000000 ]  - [  -0.0004608000000000, -0.0015138700000000, -0.0004610500000000 ]  - [   0.0001076600000000, -0.0007263000000000, -0.0000251700000000 ]  - [   0.0048895100000000,  0.0146301500000000,  0.0057162700000000 ]  - [   0.0014936300000000,  0.0016379000000000, -0.0006118500000000 ]  - [   0.0007371200000000, -0.0003439600000000, -0.0006758900000000 ]  - [  -0.0004238300000000,  0.0000643900000000, -0.0003938300000000 ]  - [  -0.0000526700000000, -0.0006303100000000,  0.0000618400000000 ]  - [   0.0003789700000000, -0.0006893700000000,  0.0003975700000000 ]  - [  -0.0006538100000000,  0.0012315000000000,  0.0007664400000000 ]  - [   0.0000783500000000,  0.0010662900000000,  0.0000437700000000 ]  - [   0.0008621000000000, -0.0006424000000000,  0.0005729700000000 ]  - [  -0.0010880300000000, -0.0026168800000000,  0.0012510100000000 ]  - [  -0.0000665800000000, -0.0010326600000000,  0.0000181500000000 ]  - [   0.0002945000000000, -0.0017440800000000, -0.0002610500000000 ]  - [  -0.0016276500000000,  0.0011545900000000, -0.0005697700000000 ]  - [  -0.0035844000000000,  0.0118858200000000,  0.0040504100000000 ]  - [   0.0000906800000000, -0.0001689900000000, -0.0001704200000000 ]  - [  -0.0002712000000000, -0.0006134700000000, -0.0011386200000000 ]  - [  -0.0000926300000000, -0.0007690400000000,  0.0000921900000000 ]  - [  -0.0001201800000000, -0.0011217300000000,  0.0001411500000000 ]  - [   0.0000872100000000,  0.0005660000000000, -0.0000137900000000 ]  - [   0.0002743600000000,  0.0013598200000000,  0.0015687000000000 ]  - [   0.0016235100000000,  0.0014559700000000,  0.0005710800000000 ]  - [   0.0039067200000000,  0.0124099900000000, -0.0043427000000000 ]  - [   0.0000682000000000, -0.0007358800000000, -0.0000176400000000 ]  - [  -0.0002963600000000, -0.0014508200000000,  0.0002625600000000 ]  - [  -0.0008598800000000, -0.0003495500000000, -0.0005725300000000 ]  - [   0.0010752400000000, -0.0023153700000000, -0.0012391200000000 ]  - [  -0.0000917100000000,  0.0008671300000000,  0.0000176500000000 ]  - [  -0.0002747100000000,  0.0016610200000000, -0.0015686700000000 ]  - [   0.0000933200000000, -0.0004722200000000, -0.0000926800000000 ]  - [   0.0001198000000000, -0.0008250300000000, -0.0001424300000000 ]  - [  -0.0000903500000000,  0.0001235700000000,  0.0001699700000000 ]  - [   0.0002723200000000, -0.0003195200000000,  0.0011360100000000 ]  - [  -0.0001688100000000, -0.0977954400000000, -0.0001354000000000 ]  - [  -0.0001346500000000, -0.0032022900000000, -0.0004053700000000 ]  - [  -0.0007458300000000,  0.0057358100000000, -0.0006620800000000 ]  - [   0.0002337500000000,  0.0014019600000000, -0.0003229000000000 ]  - [   0.0004737300000000,  0.0057077300000000, -0.0001457300000000 ]  - [  -0.0005065900000000,  0.0014054100000000, -0.0004880800000000 ]  - [  -0.0001398800000000, -0.0031655900000000, -0.0004076700000000 ]  - [  -0.0001361100000000, -0.0015136000000000, -0.0004070400000000 ]  - [  -0.0001295700000000,  0.0014136600000000, -0.0003168300000000 ]  - [   0.0001085200000000,  0.0007366700000000, -0.0002523700000000 ]  - [  -0.0001445100000000,  0.0014168000000000, -0.0004953400000000 ]  - [  -0.0003816500000000,  0.0007410400000000, -0.0005593100000000 ]  - [   0.0001519700000000, -0.0030682300000000,  0.0003936100000000 ]  - [   0.0001200900000000, -0.0095043200000000,  0.0003826700000000 ]  - [  -0.0007812600000000,  0.0011500800000000,  0.0010035000000000 ]  - [   0.0013870600000000,  0.0030094300000000,  0.0021537800000000 ]  - [   0.0010504100000000,  0.0011547900000000, -0.0001880000000000 ]  - [  -0.0011081100000000,  0.0030070300000000, -0.0013351400000000 ]  - [   0.0001508900000000, -0.0099241200000000,  0.0004204100000000 ]  - [   0.0001284500000000, -0.0074758700000000,  0.0004149300000000 ]  - [  -0.0011193000000000,  0.0020272500000000, -0.0008453600000000 ]  - [   0.0011452100000000,  0.0020278800000000, -0.0007804500000000 ]  - [   0.0013867400000000,  0.0020280700000000,  0.0016503900000000 ]  - [  -0.0008650400000000,  0.0020286000000000,  0.0015861500000000 ]  - [  -0.0096243400000000,  0.0038153500000000,  0.0025300000000000 ]  - [   0.0102873500000000,  0.0038190200000000, -0.0006884400000000 ]  - [  -0.0001393900000000,  0.0025385900000000, -0.0004062100000000 ]  - [  -0.0001350200000000,  0.0025386700000000, -0.0004054700000000 ]  - [   0.0092842700000000,  0.0038278200000000, -0.0033351000000000 ]  - [  -0.0105008700000000,  0.0038243600000000, -0.0001285400000000 ]  - [  -0.0006548800000000, -0.0007024100000000, -0.0005649600000000 ]  - [   0.0009937000000000, -0.0007008100000000,  0.0001020600000000 ]  - [  -0.0001374700000000,  0.0015945300000000, -0.0004060600000000 ]  - [  -0.0001363500000000,  0.0015947200000000, -0.0004058000000000 ]  - [   0.0003798800000000, -0.0006931100000000, -0.0002485800000000 ]  - [  -0.0012666300000000, -0.0006946700000000, -0.0009144800000000 ]  - [  -0.0041748300000000,  0.0016256400000000,  0.0073331500000000 ]  - [   0.0005888900000000, -0.0008058400000000,  0.0010665700000000 ]  - [   0.0001372600000000,  0.0024634100000000,  0.0004081400000000 ]  - [   0.0001371200000000,  0.0017354500000000,  0.0004064000000000 ]  - [   0.0044266200000000,  0.0016398100000000, -0.0064805300000000 ]  - [  -0.0003110800000000, -0.0007966400000000, -0.0002536400000000 ]  - [   0.0011192700000000,  0.0054720100000000, -0.0111511100000000 ]  - [   0.0000991600000000, -0.0006142300000000, -0.0006907700000000 ]  - [   0.0001371200000000,  0.0025138800000000,  0.0004036200000000 ]  - [   0.0001369700000000,  0.0015517200000000,  0.0004052400000000 ]  - [  -0.0008427000000000,  0.0054784000000000,  0.0118877100000000 ]  - [   0.0001779300000000, -0.0006068800000000,  0.0015022600000000 ]- atom:   97  displacement:    [  -0.0013256572109048,  0.0000000000000000,  0.0099117421757820 ]  forces:  - [  -0.0108222600000000,  0.0010618500000000,  0.0137866900000000 ]  - [  -0.0010840500000000,  0.0002531600000000,  0.0013652100000000 ]  - [   0.0001083200000000, -0.0002314500000000,  0.0002148100000000 ]  - [  -0.0001468800000000,  0.0004192100000000,  0.0004057800000000 ]  - [   0.0006175900000000,  0.0013376400000000,  0.0007870300000000 ]  - [  -0.0003977900000000,  0.0002445300000000,  0.0004038200000000 ]  - [  -0.0004128600000000,  0.0003864300000000, -0.0034165600000000 ]  - [   0.0010602400000000,  0.0006799800000000, -0.0013775200000000 ]  - [  -0.0000196500000000,  0.0010274500000000, -0.0003812200000000 ]  - [   0.0001302600000000,  0.0005986800000000, -0.0002791000000000 ]  - [  -0.0004315300000000, -0.0005217800000000, -0.0009207000000000 ]  - [   0.0001199600000000,  0.0002420200000000, -0.0003199400000000 ]  - [   0.0006175900000000, -0.0013376400000000,  0.0007870300000000 ]  - [  -0.0003977900000000, -0.0002445300000000,  0.0004038200000000 ]  - [   0.0001083200000000,  0.0002314500000000,  0.0002148100000000 ]  - [  -0.0001468800000000, -0.0004192100000000,  0.0004057800000000 ]  - [  -0.0108222600000000, -0.0010618500000000,  0.0137866900000000 ]  - [  -0.0010840500000000, -0.0002531600000000,  0.0013652100000000 ]  - [  -0.0004315300000000,  0.0005217800000000, -0.0009207000000000 ]  - [   0.0001199600000000, -0.0002420200000000, -0.0003199400000000 ]  - [  -0.0000196500000000, -0.0010274500000000, -0.0003812200000000 ]  - [   0.0001302600000000, -0.0005986800000000, -0.0002791000000000 ]  - [  -0.0004128600000000, -0.0003864300000000, -0.0034165600000000 ]  - [   0.0010602400000000, -0.0006799800000000, -0.0013775200000000 ]  - [   0.0000932600000000, -0.0001806700000000,  0.0004138800000000 ]  - [  -0.0010538400000000, -0.0048525700000000,  0.0028490700000000 ]  - [   0.0001148800000000,  0.0004179800000000,  0.0001269700000000 ]  - [  -0.0000827400000000,  0.0004554200000000,  0.0002436200000000 ]  - [   0.0016476400000000,  0.0012449500000000,  0.0009412200000000 ]  - [  -0.0024765400000000, -0.0042574900000000,  0.0049795200000000 ]  - [  -0.0000992000000000,  0.0009215200000000, -0.0005078800000000 ]  - [   0.0011252400000000,  0.0013853200000000, -0.0015844900000000 ]  - [  -0.0000952900000000,  0.0003824700000000, -0.0001395700000000 ]  - [   0.0000607900000000,  0.0003733400000000, -0.0002321900000000 ]  - [  -0.0005313100000000, -0.0002719200000000, -0.0009112700000000 ]  - [   0.0006736100000000, -0.0003478800000000, -0.0027976400000000 ]  - [   0.0016476400000000, -0.0012449500000000,  0.0009412200000000 ]  - [  -0.0024765400000000,  0.0042574900000000,  0.0049795200000000 ]  - [   0.0001148800000000, -0.0004179800000000,  0.0001269700000000 ]  - [  -0.0000827400000000, -0.0004554200000000,  0.0002436200000000 ]  - [   0.0000932600000000,  0.0001806700000000,  0.0004138800000000 ]  - [  -0.0010538400000000,  0.0048525700000000,  0.0028490700000000 ]  - [  -0.0005313100000000,  0.0002719200000000, -0.0009112700000000 ]  - [   0.0006736100000000,  0.0003478800000000, -0.0027976400000000 ]  - [  -0.0000952900000000, -0.0003824700000000, -0.0001395700000000 ]  - [   0.0000607900000000, -0.0003733400000000, -0.0002321900000000 ]  - [  -0.0000992000000000, -0.0009215200000000, -0.0005078800000000 ]  - [   0.0011252400000000, -0.0013853200000000, -0.0015844900000000 ]  - [   0.0053409300000000, -0.0072918600000000,  0.0161414600000000 ]  - [   0.0021704000000000,  0.0005040500000000,  0.0012124100000000 ]  - [   0.0001880700000000,  0.0000554400000000,  0.0006589200000000 ]  - [   0.0001750600000000,  0.0000005700000000,  0.0003825900000000 ]  - [  -0.0008886700000000, -0.0026306900000000,  0.0014200100000000 ]  - [   0.0002216400000000, -0.0005378600000000,  0.0005657000000000 ]  - [   0.0004827100000000, -0.0004373300000000, -0.0035092300000000 ]  - [  -0.0009354500000000, -0.0006196000000000, -0.0014563700000000 ]  - [  -0.0000257900000000, -0.0002484600000000, -0.0005348200000000 ]  - [  -0.0003203300000000, -0.0003092800000000, -0.0004869100000000 ]  - [   0.0007851900000000,  0.0006477800000000, -0.0013278200000000 ]  - [  -0.0001815900000000, -0.0000271900000000, -0.0006370800000000 ]  - [  -0.0008886700000000,  0.0026306900000000,  0.0014200100000000 ]  - [   0.0002216400000000,  0.0005378600000000,  0.0005657000000000 ]  - [   0.0001880700000000, -0.0000554400000000,  0.0006589200000000 ]  - [   0.0001750600000000, -0.0000005700000000,  0.0003825900000000 ]  - [   0.0053409300000000,  0.0072918600000000,  0.0161414600000000 ]  - [   0.0021704000000000, -0.0005040500000000,  0.0012124100000000 ]  - [   0.0007851900000000, -0.0006477800000000, -0.0013278200000000 ]  - [  -0.0001815900000000,  0.0000271900000000, -0.0006370800000000 ]  - [  -0.0000257900000000,  0.0002484600000000, -0.0005348200000000 ]  - [  -0.0003203300000000,  0.0003092800000000, -0.0004869100000000 ]  - [   0.0004827100000000,  0.0004373300000000, -0.0035092300000000 ]  - [  -0.0009354500000000,  0.0006196000000000, -0.0014563700000000 ]  - [   0.0003366400000000, -0.0001413100000000,  0.0010142000000000 ]  - [   0.0006742600000000,  0.0028636900000000,  0.0016211900000000 ]  - [  -0.0000182100000000, -0.0002623200000000,  0.0003603700000000 ]  - [  -0.0000842300000000, -0.0004961000000000,  0.0004807300000000 ]  - [  -0.0011760000000000, -0.0007341400000000,  0.0014636500000000 ]  - [  -0.0047337200000000,  0.0034479200000000,  0.0118880900000000 ]  - [  -0.0000989100000000, -0.0002128700000000, -0.0006770800000000 ]  - [  -0.0008448200000000, -0.0010303800000000, -0.0019346900000000 ]  - [   0.0000217500000000, -0.0000561700000000, -0.0003513700000000 ]  - [   0.0000762000000000,  0.0000308000000000, -0.0004822600000000 ]  - [   0.0007292900000000,  0.0004306500000000, -0.0014466900000000 ]  - [  -0.0003822400000000,  0.0001671600000000, -0.0031232000000000 ]  - [  -0.0011760000000000,  0.0007341400000000,  0.0014636500000000 ]  - [  -0.0047337200000000, -0.0034479200000000,  0.0118880900000000 ]  - [  -0.0000182100000000,  0.0002623200000000,  0.0003603700000000 ]  - [  -0.0000842300000000,  0.0004961000000000,  0.0004807300000000 ]  - [   0.0003366400000000,  0.0001413100000000,  0.0010142000000000 ]  - [   0.0006742600000000, -0.0028636900000000,  0.0016211900000000 ]  - [   0.0007292900000000, -0.0004306500000000, -0.0014466900000000 ]  - [  -0.0003822400000000, -0.0001671600000000, -0.0031232000000000 ]  - [   0.0000217500000000,  0.0000561700000000, -0.0003513700000000 ]  - [   0.0000762000000000, -0.0000308000000000, -0.0004822600000000 ]  - [  -0.0000989100000000,  0.0002128700000000, -0.0006770800000000 ]  - [  -0.0008448200000000,  0.0010303800000000, -0.0019346900000000 ]  - [   0.0272326500000000,  0.0000000000000000, -0.1120412100000000 ]  - [  -0.0013702000000000,  0.0000000000000000, -0.0038752500000000 ]  - [  -0.0004047500000000,  0.0001697500000000, -0.0038553900000000 ]  - [  -0.0004024300000000, -0.0000332200000000, -0.0014336600000000 ]  - [  -0.0004047500000000, -0.0001697500000000, -0.0038553900000000 ]  - [  -0.0004024300000000,  0.0000332200000000, -0.0014336600000000 ]  - [  -0.0012020200000000,  0.0000000000000000,  0.0060894900000000 ]  - [  -0.0000457200000000,  0.0000000000000000,  0.0021123700000000 ]  - [  -0.0003553400000000, -0.0000847900000000,  0.0015860500000000 ]  - [   0.0000566900000000, -0.0001191800000000,  0.0005513300000000 ]  - [  -0.0003553400000000,  0.0000847900000000,  0.0015860500000000 ]  - [   0.0000566900000000,  0.0001191800000000,  0.0005513300000000 ]  - [  -0.0080213400000000,  0.0000000000000000,  0.0072937000000000 ]  - [   0.0094856200000000,  0.0000000000000000,  0.0081116300000000 ]  - [  -0.0004153500000000,  0.0007127600000000,  0.0010119500000000 ]  - [   0.0013955400000000,  0.0015632500000000,  0.0014436400000000 ]  - [  -0.0004153500000000, -0.0007127600000000,  0.0010119500000000 ]  - [   0.0013955400000000, -0.0015632500000000,  0.0014436400000000 ]  - [   0.0085352600000000,  0.0000000000000000,  0.0054848200000000 ]  - [  -0.0093679400000000,  0.0000000000000000,  0.0078485700000000 ]  - [   0.0008215200000000, -0.0010718000000000,  0.0001466100000000 ]  - [  -0.0006796900000000, -0.0013054700000000,  0.0004641900000000 ]  - [   0.0008215200000000,  0.0010718000000000,  0.0001466100000000 ]  - [  -0.0006796900000000,  0.0013054700000000,  0.0004641900000000 ]  - [  -0.0001453100000000,  0.0016471100000000, -0.0093692200000000 ]  - [  -0.0012901600000000, -0.0041759600000000, -0.0095013200000000 ]  - [  -0.0003370600000000,  0.0000000000000000, -0.0013427500000000 ]  - [   0.0000046300000000,  0.0000000000000000, -0.0012959100000000 ]  - [  -0.0001453100000000, -0.0016471100000000, -0.0093692200000000 ]  - [  -0.0012901600000000,  0.0041759600000000, -0.0095013200000000 ]  - [  -0.0002046100000000, -0.0003498100000000,  0.0028065000000000 ]  - [  -0.0003401200000000,  0.0000913300000000,  0.0027884700000000 ]  - [  -0.0000328500000000,  0.0000000000000000,  0.0004572500000000 ]  - [  -0.0001375500000000,  0.0000000000000000,  0.0004425500000000 ]  - [  -0.0002046100000000,  0.0003498100000000,  0.0028065000000000 ]  - [  -0.0003401200000000, -0.0000913300000000,  0.0027884700000000 ]  - [  -0.0008513900000000,  0.0074516800000000,  0.0076869000000000 ]  - [   0.0001632500000000,  0.0005944200000000,  0.0008171000000000 ]  - [   0.0001331600000000,  0.0000000000000000,  0.0009487100000000 ]  - [   0.0002361400000000,  0.0000000000000000,  0.0005973100000000 ]  - [  -0.0008513900000000, -0.0074516800000000,  0.0076869000000000 ]  - [   0.0001632500000000, -0.0005944200000000,  0.0008171000000000 ]  - [   0.0005561300000000, -0.0115058600000000,  0.0089742800000000 ]  - [  -0.0001423400000000, -0.0010813600000000,  0.0004853800000000 ]  - [   0.0000601000000000,  0.0000000000000000, -0.0000001900000000 ]  - [   0.0000837900000000,  0.0000000000000000,  0.0001806900000000 ]  - [   0.0005561300000000,  0.0115058600000000,  0.0089742800000000 ]  - [  -0.0001423400000000,  0.0010813600000000,  0.0004853800000000 ]- atom:   97  displacement:    [   0.0013256572109048,  0.0000000000000000, -0.0099117421757820 ]  forces:  - [   0.0101142800000000, -0.0000413300000000, -0.0132748300000000 ]  - [   0.0010874400000000,  0.0005650400000000, -0.0013568700000000 ]  - [  -0.0001092700000000,  0.0010474000000000, -0.0002130600000000 ]  - [   0.0001473100000000,  0.0003991500000000, -0.0004055800000000 ]  - [  -0.0006172900000000, -0.0005203400000000, -0.0007828800000000 ]  - [   0.0003999400000000,  0.0005703600000000, -0.0004028700000000 ]  - [   0.0004266300000000,  0.0004302300000000,  0.0034286600000000 ]  - [  -0.0010635500000000,  0.0001354400000000,  0.0013765700000000 ]  - [   0.0000206900000000, -0.0002123600000000,  0.0003802900000000 ]  - [  -0.0001305900000000,  0.0002162900000000,  0.0002785900000000 ]  - [   0.0004343600000000,  0.0013409100000000,  0.0009210600000000 ]  - [  -0.0001212000000000,  0.0005755900000000,  0.0003187600000000 ]  - [  -0.0006172900000000,  0.0005203400000000, -0.0007828800000000 ]  - [   0.0003999400000000, -0.0005703600000000, -0.0004028700000000 ]  - [  -0.0001092700000000, -0.0010474000000000, -0.0002130600000000 ]  - [   0.0001473100000000, -0.0003991500000000, -0.0004055800000000 ]  - [   0.0101142800000000,  0.0000413300000000, -0.0132748300000000 ]  - [   0.0010874400000000, -0.0005650400000000, -0.0013568700000000 ]  - [   0.0004343600000000, -0.0013409100000000,  0.0009210600000000 ]  - [  -0.0001212000000000, -0.0005755900000000,  0.0003187600000000 ]  - [   0.0000206900000000,  0.0002123600000000,  0.0003802900000000 ]  - [  -0.0001305900000000, -0.0002162900000000,  0.0002785900000000 ]  - [   0.0004266300000000, -0.0004302300000000,  0.0034286600000000 ]  - [  -0.0010635500000000, -0.0001354400000000,  0.0013765700000000 ]  - [  -0.0000942200000000,  0.0009956300000000, -0.0004116500000000 ]  - [   0.0010686000000000,  0.0056814600000000, -0.0028058200000000 ]  - [  -0.0001145100000000,  0.0003981100000000, -0.0001266000000000 ]  - [   0.0000824600000000,  0.0003609800000000, -0.0002430300000000 ]  - [  -0.0016453000000000, -0.0004252300000000, -0.0009386500000000 ]  - [   0.0025183900000000,  0.0048638400000000, -0.0048513600000000 ]  - [   0.0001003000000000, -0.0001042400000000,  0.0005053400000000 ]  - [  -0.0011280100000000, -0.0005737700000000,  0.0015848400000000 ]  - [   0.0000954200000000,  0.0004341300000000,  0.0001389700000000 ]  - [  -0.0000610600000000,  0.0004435900000000,  0.0002315400000000 ]  - [   0.0005333900000000,  0.0010888000000000,  0.0009090000000000 ]  - [  -0.0006780400000000,  0.0011694100000000,  0.0027963000000000 ]  - [  -0.0016453000000000,  0.0004252300000000, -0.0009386500000000 ]  - [   0.0025183900000000, -0.0048638400000000, -0.0048513600000000 ]  - [  -0.0001145100000000, -0.0003981100000000, -0.0001266000000000 ]  - [   0.0000824600000000, -0.0003609800000000, -0.0002430300000000 ]  - [  -0.0000942200000000, -0.0009956300000000, -0.0004116500000000 ]  - [   0.0010686000000000, -0.0056814600000000, -0.0028058200000000 ]  - [   0.0005333900000000, -0.0010888000000000,  0.0009090000000000 ]  - [  -0.0006780400000000, -0.0011694100000000,  0.0027963000000000 ]  - [   0.0000954200000000, -0.0004341300000000,  0.0001389700000000 ]  - [  -0.0000610600000000, -0.0004435900000000,  0.0002315400000000 ]  - [   0.0001003000000000,  0.0001042400000000,  0.0005053400000000 ]  - [  -0.0011280100000000,  0.0005737700000000,  0.0015848400000000 ]  - [  -0.0057465300000000,  0.0073398100000000, -0.0164407700000000 ]  - [  -0.0021705400000000, -0.0008036100000000, -0.0012173400000000 ]  - [  -0.0001884900000000, -0.0003510900000000, -0.0006603900000000 ]  - [  -0.0001753100000000, -0.0002975000000000, -0.0003840300000000 ]  - [   0.0008905200000000,  0.0023273800000000, -0.0014257000000000 ]  - [  -0.0002207200000000,  0.0002395700000000, -0.0005681300000000 ]  - [  -0.0004763200000000,  0.0001363700000000,  0.0035088400000000 ]  - [   0.0009312600000000,  0.0003204400000000,  0.0014571900000000 ]  - [   0.0000261700000000, -0.0000495600000000,  0.0005360900000000 ]  - [   0.0003213700000000,  0.0000131800000000,  0.0004890300000000 ]  - [  -0.0007833600000000, -0.0009411300000000,  0.0013283500000000 ]  - [   0.0001808100000000, -0.0002681200000000,  0.0006394200000000 ]  - [   0.0008905200000000, -0.0023273800000000, -0.0014257000000000 ]  - [  -0.0002207200000000, -0.0002395700000000, -0.0005681300000000 ]  - [  -0.0001884900000000,  0.0003510900000000, -0.0006603900000000 ]  - [  -0.0001753100000000,  0.0002975000000000, -0.0003840300000000 ]  - [  -0.0057465300000000, -0.0073398100000000, -0.0164407700000000 ]  - [  -0.0021705400000000,  0.0008036100000000, -0.0012173400000000 ]  - [  -0.0007833600000000,  0.0009411300000000,  0.0013283500000000 ]  - [   0.0001808100000000,  0.0002681200000000,  0.0006394200000000 ]  - [   0.0000261700000000,  0.0000495600000000,  0.0005360900000000 ]  - [   0.0003213700000000, -0.0000131800000000,  0.0004890300000000 ]  - [  -0.0004763200000000, -0.0001363700000000,  0.0035088400000000 ]  - [   0.0009312600000000, -0.0003204400000000,  0.0014571900000000 ]  - [  -0.0003377700000000, -0.0001545600000000, -0.0010155500000000 ]  - [  -0.0006767000000000, -0.0031627000000000, -0.0016285800000000 ]  - [   0.0000182400000000, -0.0000350500000000, -0.0003611400000000 ]  - [   0.0000845700000000,  0.0001988700000000, -0.0004825800000000 ]  - [   0.0011708400000000,  0.0004372600000000, -0.0014660300000000 ]  - [   0.0052785600000000, -0.0041944300000000, -0.0123817600000000 ]  - [   0.0001010500000000, -0.0000848800000000,  0.0006790800000000 ]  - [   0.0008402200000000,  0.0007275800000000,  0.0019353400000000 ]  - [  -0.0000211300000000, -0.0002402800000000,  0.0003522500000000 ]  - [  -0.0000770700000000, -0.0003268500000000,  0.0004839700000000 ]  - [  -0.0007275800000000, -0.0007279000000000,  0.0014494900000000 ]  - [   0.0003740700000000, -0.0004564800000000,  0.0031164700000000 ]  - [   0.0011708400000000, -0.0004372600000000, -0.0014660300000000 ]  - [   0.0052785600000000,  0.0041944300000000, -0.0123817600000000 ]  - [   0.0000182400000000,  0.0000350500000000, -0.0003611400000000 ]  - [   0.0000845700000000, -0.0001988700000000, -0.0004825800000000 ]  - [  -0.0003377700000000,  0.0001545600000000, -0.0010155500000000 ]  - [  -0.0006767000000000,  0.0031627000000000, -0.0016285800000000 ]  - [  -0.0007275800000000,  0.0007279000000000,  0.0014494900000000 ]  - [   0.0003740700000000,  0.0004564800000000,  0.0031164700000000 ]  - [  -0.0000211300000000,  0.0002402800000000,  0.0003522500000000 ]  - [  -0.0000770700000000,  0.0003268500000000,  0.0004839700000000 ]  - [   0.0001010500000000,  0.0000848800000000,  0.0006790800000000 ]  - [   0.0008402200000000, -0.0007275800000000,  0.0019353400000000 ]  - [  -0.0264988100000000,  0.0000000000000000,  0.1114171800000000 ]  - [   0.0010929500000000,  0.0000000000000000,  0.0030650100000000 ]  - [   0.0001321200000000, -0.0001805100000000,  0.0030469200000000 ]  - [   0.0001269700000000,  0.0000323800000000,  0.0006229200000000 ]  - [   0.0001321200000000,  0.0001805100000000,  0.0030469200000000 ]  - [   0.0001269700000000, -0.0000323800000000,  0.0006229200000000 ]  - [   0.0009302400000000,  0.0000000000000000, -0.0068994100000000 ]  - [  -0.0002280900000000,  0.0000000000000000, -0.0029235800000000 ]  - [   0.0000805500000000,  0.0000894800000000, -0.0023982800000000 ]  - [  -0.0003312900000000,  0.0001200500000000, -0.0013632200000000 ]  - [   0.0000805500000000, -0.0000894800000000, -0.0023982800000000 ]  - [  -0.0003312900000000, -0.0001200500000000, -0.0013632200000000 ]  - [   0.0082550500000000,  0.0000000000000000, -0.0064617300000000 ]  - [  -0.0091321000000000,  0.0000000000000000, -0.0072918000000000 ]  - [   0.0006890100000000, -0.0007110500000000, -0.0002042100000000 ]  - [  -0.0011213300000000, -0.0015640900000000, -0.0006394700000000 ]  - [   0.0006890100000000,  0.0007110500000000, -0.0002042100000000 ]  - [  -0.0011213300000000,  0.0015640900000000, -0.0006394700000000 ]  - [  -0.0082949700000000,  0.0000000000000000, -0.0046489200000000 ]  - [   0.0096844200000000,  0.0000000000000000, -0.0070397400000000 ]  - [  -0.0005469000000000,  0.0010694800000000,  0.0006696900000000 ]  - [   0.0009551000000000,  0.0013061600000000,  0.0003520300000000 ]  - [  -0.0005469000000000, -0.0010694800000000,  0.0006696900000000 ]  - [   0.0009551000000000, -0.0013061600000000,  0.0003520300000000 ]  - [  -0.0001007000000000, -0.0016640300000000,  0.0085334600000000 ]  - [   0.0009815400000000,  0.0041435100000000,  0.0086992600000000 ]  - [   0.0000631200000000,  0.0000000000000000,  0.0005315900000000 ]  - [  -0.0002795500000000,  0.0000000000000000,  0.0004868200000000 ]  - [  -0.0001007000000000,  0.0016640300000000,  0.0085334600000000 ]  - [   0.0009815400000000, -0.0041435100000000,  0.0086992600000000 ]  - [  -0.0000785100000000,  0.0003575000000000, -0.0036192100000000 ]  - [   0.0000730800000000, -0.0000853200000000, -0.0035989300000000 ]  - [  -0.0002427700000000,  0.0000000000000000, -0.0012690400000000 ]  - [  -0.0001361700000000,  0.0000000000000000, -0.0012555500000000 ]  - [  -0.0000785100000000, -0.0003575000000000, -0.0036192100000000 ]  - [   0.0000730800000000,  0.0000853200000000, -0.0035989300000000 ]  - [   0.0011225500000000, -0.0073811800000000, -0.0068550800000000 ]  - [   0.0001096100000000, -0.0005951300000000, -0.0000122300000000 ]  - [   0.0001428900000000,  0.0000000000000000, -0.0001406400000000 ]  - [   0.0000369500000000,  0.0000000000000000,  0.0002115800000000 ]  - [   0.0011225500000000,  0.0073811800000000, -0.0068550800000000 ]  - [   0.0001096100000000,  0.0005951300000000, -0.0000122300000000 ]  - [  -0.0002921900000000,  0.0115897000000000, -0.0081797500000000 ]  - [   0.0004187800000000,  0.0010812900000000,  0.0003313500000000 ]  - [   0.0002142700000000,  0.0000000000000000,  0.0008148400000000 ]  - [   0.0001911000000000,  0.0000000000000000,  0.0006324000000000 ]  - [  -0.0002921900000000, -0.0115897000000000, -0.0081797500000000 ]  - [   0.0004187800000000, -0.0010812900000000,  0.0003313500000000 ]