# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1f470e8b-1ed5-4dbc-8da0-dcecfdb8f3f0/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 RhBr3 / C2/m (12) / materials id 27871](https://mdr.nims.go.jp/datasets/9d15332c-550d-4961-ab0f-f54e15fdd9ab)

## 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,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.138538850000000,    -5.439600530000000,     0.057062065000000 ] # a  - [     3.138538850000000,     5.439600530000000,     0.057062065000000 ] # b  - [    -1.997240490000000,     0.000000000000000,     6.047783760000000 ] # c  points:  - symbol: Rh # 1    coordinates: [  0.833385650000000,  0.166614350000000,  0.000000000000000 ]    mass: 102.905500  - symbol: Rh # 2    coordinates: [  0.166614350000000,  0.833385650000000,  0.000000000000000 ]    mass: 102.905500  - symbol: Br # 3    coordinates: [  0.217385340000000,  0.217385340000000,  0.228110540000000 ]    mass: 79.904000  - symbol: Br # 4    coordinates: [  0.782614660000000,  0.782614660000000,  0.771889460000000 ]    mass: 79.904000  - symbol: Br # 5    coordinates: [  0.080657420000000,  0.431966040000000,  0.772728010000000 ]    mass: 79.904000  - symbol: Br # 6    coordinates: [  0.568033960000000,  0.919342580000000,  0.227271990000000 ]    mass: 79.904000  - symbol: Br # 7    coordinates: [  0.919342580000000,  0.568033960000000,  0.227271990000000 ]    mass: 79.904000  - symbol: Br # 8    coordinates: [  0.431966040000000,  0.080657420000000,  0.772728010000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.158358984442350,    -0.091918514464885,     0.052297004693756 ] # a*  - [     0.158358984442350,     0.091918514464885,     0.052297004693756 ] # b*  - [    -0.002988298200524,     0.000000000000000,     0.164362961588051 ] # c*unit_cell:  lattice:  - [     6.277077700000000,     0.000000000000000,     0.114124130000000 ] # a  - [     0.000000000000000,    10.879201060000000,     0.000000000000000 ] # b  - [    -1.997240490000000,     0.000000000000000,     6.047783760000000 ] # c  points:  - symbol: Rh # 1    coordinates: [  0.500000000000000,  0.666614350000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 2    coordinates: [  0.500000000000000,  0.333385650000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 2  - symbol: Rh # 3    coordinates: [  0.000000000000000,  0.166614350000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 4    coordinates: [  0.000000000000000,  0.833385650000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 2  - symbol: Br # 5    coordinates: [  0.217385340000000,  0.000000000000000,  0.228110540000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.782614660000000,  0.000000000000000,  0.771889460000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.256311730000000,  0.175654310000000,  0.772728010000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 8    coordinates: [  0.743688270000000,  0.175654310000000,  0.227271990000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.743688270000000,  0.824345690000000,  0.227271990000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.256311730000000,  0.824345690000000,  0.772728010000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.717385340000000,  0.500000000000000,  0.228110540000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 12    coordinates: [  0.282614660000000,  0.500000000000000,  0.771889460000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 13    coordinates: [  0.756311730000000,  0.675654310000000,  0.772728010000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 14    coordinates: [  0.243688270000000,  0.675654310000000,  0.227271990000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 15    coordinates: [  0.243688270000000,  0.324345690000000,  0.227271990000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 16    coordinates: [  0.756311730000000,  0.324345690000000,  0.772728010000000 ]    mass: 79.904000    reduced_to: 10supercell:  lattice:  - [    12.554155400000001,     0.000000000000000,     0.228248260000000 ] # a  - [     0.000000000000000,    21.758402120000000,     0.000000000000000 ] # b  - [    -3.994480980000000,     0.000000000000000,    12.095567519999999 ] # c  points:  - symbol: Rh # 1    coordinates: [  0.250000000000000,  0.333307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 2    coordinates: [  0.750000000000000,  0.333307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 3    coordinates: [  0.250000000000000,  0.833307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 4    coordinates: [  0.750000000000000,  0.833307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 5    coordinates: [  0.250000000000000,  0.333307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 6    coordinates: [  0.750000000000000,  0.333307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 7    coordinates: [  0.250000000000000,  0.833307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 8    coordinates: [  0.750000000000000,  0.833307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 9    coordinates: [  0.250000000000000,  0.166692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 10    coordinates: [  0.750000000000000,  0.166692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 11    coordinates: [  0.250000000000000,  0.666692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 12    coordinates: [  0.750000000000000,  0.666692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 13    coordinates: [  0.250000000000000,  0.166692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 14    coordinates: [  0.750000000000000,  0.166692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 15    coordinates: [  0.250000000000000,  0.666692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 16    coordinates: [  0.750000000000000,  0.666692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 17    coordinates: [  0.000000000000000,  0.083307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 18    coordinates: [  0.500000000000000,  0.083307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 19    coordinates: [  0.000000000000000,  0.583307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 20    coordinates: [  0.500000000000000,  0.583307175000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 21    coordinates: [  0.000000000000000,  0.083307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 22    coordinates: [  0.500000000000000,  0.083307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 23    coordinates: [  0.000000000000000,  0.583307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 24    coordinates: [  0.500000000000000,  0.583307175000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 1  - symbol: Rh # 25    coordinates: [  0.000000000000000,  0.416692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 26    coordinates: [  0.500000000000000,  0.416692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 27    coordinates: [  0.000000000000000,  0.916692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 28    coordinates: [  0.500000000000000,  0.916692825000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 29    coordinates: [  0.000000000000000,  0.416692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 30    coordinates: [  0.500000000000000,  0.416692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 31    coordinates: [  0.000000000000000,  0.916692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 32    coordinates: [  0.500000000000000,  0.916692825000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Br # 33    coordinates: [  0.108692670000000,  0.000000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 34    coordinates: [  0.608692670000000,  0.000000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 35    coordinates: [  0.108692670000000,  0.500000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 36    coordinates: [  0.608692670000000,  0.500000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 37    coordinates: [  0.108692670000000,  0.000000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 38    coordinates: [  0.608692670000000,  0.000000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 39    coordinates: [  0.108692670000000,  0.500000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 40    coordinates: [  0.608692670000000,  0.500000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 41    coordinates: [  0.391307330000000,  0.000000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.891307330000000,  0.000000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 43    coordinates: [  0.391307330000000,  0.500000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 44    coordinates: [  0.891307330000000,  0.500000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 45    coordinates: [  0.391307330000000,  0.000000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 46    coordinates: [  0.891307330000000,  0.000000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 47    coordinates: [  0.391307330000000,  0.500000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 48    coordinates: [  0.891307330000000,  0.500000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 49    coordinates: [  0.128155865000000,  0.087827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 50    coordinates: [  0.628155865000000,  0.087827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 51    coordinates: [  0.128155865000000,  0.587827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 52    coordinates: [  0.628155865000000,  0.587827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 53    coordinates: [  0.128155865000000,  0.087827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 54    coordinates: [  0.628155865000000,  0.087827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 55    coordinates: [  0.128155865000000,  0.587827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 56    coordinates: [  0.628155865000000,  0.587827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 57    coordinates: [  0.371844135000000,  0.087827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 58    coordinates: [  0.871844135000000,  0.087827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 59    coordinates: [  0.371844135000000,  0.587827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 60    coordinates: [  0.871844135000000,  0.587827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 61    coordinates: [  0.371844135000000,  0.087827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 62    coordinates: [  0.871844135000000,  0.087827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 63    coordinates: [  0.371844135000000,  0.587827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 64    coordinates: [  0.871844135000000,  0.587827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 65    coordinates: [  0.371844135000000,  0.412172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 66    coordinates: [  0.871844135000000,  0.412172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 67    coordinates: [  0.371844135000000,  0.912172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 68    coordinates: [  0.871844135000000,  0.912172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 69    coordinates: [  0.371844135000000,  0.412172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 70    coordinates: [  0.871844135000000,  0.412172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 71    coordinates: [  0.371844135000000,  0.912172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 72    coordinates: [  0.871844135000000,  0.912172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 73    coordinates: [  0.128155865000000,  0.412172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 74    coordinates: [  0.628155865000000,  0.412172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 75    coordinates: [  0.128155865000000,  0.912172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 76    coordinates: [  0.628155865000000,  0.912172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 77    coordinates: [  0.128155865000000,  0.412172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 78    coordinates: [  0.628155865000000,  0.412172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 79    coordinates: [  0.128155865000000,  0.912172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 80    coordinates: [  0.628155865000000,  0.912172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 81    coordinates: [  0.358692670000000,  0.250000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 82    coordinates: [  0.858692670000000,  0.250000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 83    coordinates: [  0.358692670000000,  0.750000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 84    coordinates: [  0.858692670000000,  0.750000000000000,  0.114055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 85    coordinates: [  0.358692670000000,  0.250000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 86    coordinates: [  0.858692670000000,  0.250000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 87    coordinates: [  0.358692670000000,  0.750000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 88    coordinates: [  0.858692670000000,  0.750000000000000,  0.614055270000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 89    coordinates: [  0.141307330000000,  0.250000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 90    coordinates: [  0.641307330000000,  0.250000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 91    coordinates: [  0.141307330000000,  0.750000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 92    coordinates: [  0.641307330000000,  0.750000000000000,  0.385944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 93    coordinates: [  0.141307330000000,  0.250000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 94    coordinates: [  0.641307330000000,  0.250000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 95    coordinates: [  0.141307330000000,  0.750000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 96    coordinates: [  0.641307330000000,  0.750000000000000,  0.885944730000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 97    coordinates: [  0.378155865000000,  0.337827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 98    coordinates: [  0.878155865000000,  0.337827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 99    coordinates: [  0.378155865000000,  0.837827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 100    coordinates: [  0.878155865000000,  0.837827155000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 101    coordinates: [  0.378155865000000,  0.337827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 102    coordinates: [  0.878155865000000,  0.337827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 103    coordinates: [  0.378155865000000,  0.837827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 104    coordinates: [  0.878155865000000,  0.837827155000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 105    coordinates: [  0.121844135000000,  0.337827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 106    coordinates: [  0.621844135000000,  0.337827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 107    coordinates: [  0.121844135000000,  0.837827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 108    coordinates: [  0.621844135000000,  0.837827155000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 109    coordinates: [  0.121844135000000,  0.337827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 110    coordinates: [  0.621844135000000,  0.337827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 111    coordinates: [  0.121844135000000,  0.837827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 112    coordinates: [  0.621844135000000,  0.837827155000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 57  - symbol: Br # 113    coordinates: [  0.121844135000000,  0.162172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 114    coordinates: [  0.621844135000000,  0.162172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 115    coordinates: [  0.121844135000000,  0.662172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 116    coordinates: [  0.621844135000000,  0.662172845000000,  0.113635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 117    coordinates: [  0.121844135000000,  0.162172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 118    coordinates: [  0.621844135000000,  0.162172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 119    coordinates: [  0.121844135000000,  0.662172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 120    coordinates: [  0.621844135000000,  0.662172845000000,  0.613635995000000 ]    mass: 79.904000    reduced_to: 65  - symbol: Br # 121    coordinates: [  0.378155865000000,  0.162172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 122    coordinates: [  0.878155865000000,  0.162172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 123    coordinates: [  0.378155865000000,  0.662172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 124    coordinates: [  0.878155865000000,  0.662172845000000,  0.386364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 125    coordinates: [  0.378155865000000,  0.162172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 126    coordinates: [  0.878155865000000,  0.162172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 127    coordinates: [  0.378155865000000,  0.662172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 128    coordinates: [  0.878155865000000,  0.662172845000000,  0.886364005000000 ]    mass: 79.904000    reduced_to: 73born_effective_charge:- # 1 (Rh)  - [  1.335875600000000, -0.000000000000000,  0.053416040000000 ]  - [  0.000000000000000,  1.324597810000000,  0.000000000000000 ]  - [  0.001665310000000,  0.000000000000000,  0.321591610000000 ]- # 2 (Rh)  - [  1.335875600000000, -0.000000000000000,  0.053416040000000 ]  - [  0.000000000000000,  1.324597810000000,  0.000000000000000 ]  - [  0.001665310000000,  0.000000000000000,  0.321591610000000 ]- # 3 (Br)  - [ -0.026305270000000,  0.000000000000000, -0.784625300000000 ]  - [  0.000000000000000, -0.840762940000000, -0.000000000000000 ]  - [ -0.362304490000000, -0.000000000000000, -0.225363900000000 ]- # 4 (Br)  - [ -0.026305270000000,  0.000000000000000, -0.784625300000000 ]  - [  0.000000000000000, -0.840762940000000, -0.000000000000000 ]  - [ -0.362304490000000, -0.000000000000000, -0.225363900000000 ]- # 5 (Br)  - [ -0.654785170000000, -0.304410120000000,  0.365604630000000 ]  - [ -0.294791100000000, -0.241917440000000, -0.653636970000000 ]  - [  0.180319590000000, -0.269990870000000, -0.048113860000000 ]- # 6 (Br)  - [ -0.654785170000000,  0.304410120000000,  0.365604630000000 ]  - [  0.294791100000000, -0.241917440000000,  0.653636970000000 ]  - [  0.180319590000000,  0.269990870000000, -0.048113860000000 ]- # 7 (Br)  - [ -0.654785170000000, -0.304410120000000,  0.365604630000000 ]  - [ -0.294791100000000, -0.241917440000000, -0.653636970000000 ]  - [  0.180319590000000, -0.269990870000000, -0.048113860000000 ]- # 8 (Br)  - [ -0.654785170000000,  0.304410120000000,  0.365604630000000 ]  - [  0.294791100000000, -0.241917440000000,  0.653636970000000 ]  - [  0.180319590000000,  0.269990870000000, -0.048113860000000 ]dielectric_constant:  - [  7.906463440000000,  0.000000000000000, -0.098418470000000 ]  - [  0.000000000000000,  7.905101910000000,  0.000000000000000 ]  - [ -0.098419620000000,  0.000000000000000,  5.077062160000000 ]displacements:- atom:    1  displacement:    [   0.0099983476490158,  0.0000000000000000,  0.0001817808829866 ]  forces:  - [  -0.1828200500000000,  0.0010259100000000, -0.0033607100000000 ]  - [   0.0002184000000000,  0.0016102700000000, -0.0003039200000000 ]  - [  -0.0000107300000000,  0.0016095200000000, -0.0000236300000000 ]  - [   0.0000051800000000,  0.0016096000000000,  0.0000101000000000 ]  - [  -0.0004824800000000,  0.0016111600000000, -0.0004435600000000 ]  - [   0.0002180300000000,  0.0016135800000000,  0.0000810000000000 ]  - [  -0.0000092200000000,  0.0016099200000000, -0.0000024900000000 ]  - [   0.0000135700000000,  0.0016097500000000,  0.0000044100000000 ]  - [  -0.0004065300000000, -0.0015897300000000,  0.0005789200000000 ]  - [  -0.0000792000000000, -0.0016058200000000,  0.0004480800000000 ]  - [  -0.0005129000000000, -0.0016118500000000, -0.0004673400000000 ]  - [   0.0001067200000000, -0.0016110600000000,  0.0000214300000000 ]  - [  -0.0009975600000000, -0.0016085500000000,  0.0001021400000000 ]  - [   0.0000250600000000, -0.0016096100000000,  0.0000357200000000 ]  - [  -0.0000829800000000, -0.0016106200000000, -0.0000388200000000 ]  - [   0.0001087100000000, -0.0016112000000000,  0.0000268200000000 ]  - [   0.0001680500000000,  0.0014506900000000, -0.0000002800000000 ]  - [   0.0001738400000000,  0.0017658800000000,  0.0000040000000000 ]  - [   0.0001654700000000,  0.0015833200000000,  0.0001693500000000 ]  - [   0.0001702300000000,  0.0016275900000000,  0.0001728200000000 ]  - [   0.0001952800000000,  0.0017753400000000,  0.0000212700000000 ]  - [   0.0001986300000000,  0.0014433700000000,  0.0000218100000000 ]  - [   0.0001977100000000,  0.0014393700000000, -0.0000424600000000 ]  - [   0.0001985700000000,  0.0017814200000000, -0.0000432500000000 ]  - [   0.0079659100000000, -0.0063668100000000, -0.0001287600000000 ]  - [   0.0080477800000000,  0.0031468200000000, -0.0002943700000000 ]  - [   0.0000148900000000, -0.0015914400000000,  0.0000040100000000 ]  - [   0.0000149700000000, -0.0016309200000000,  0.0000044300000000 ]  - [   0.0005409100000000, -0.0011983300000000,  0.0002417600000000 ]  - [   0.0005430400000000, -0.0020195400000000,  0.0002415500000000 ]  - [  -0.0000018600000000, -0.0015836900000000, -0.0000017800000000 ]  - [  -0.0000017900000000, -0.0016376000000000, -0.0000016700000000 ]  - [  -0.0004850600000000,  0.0000169000000000, -0.0006474500000000 ]  - [  -0.0005146300000000,  0.0000173500000000, -0.0006792100000000 ]  - [  -0.0010293200000000, -0.0003454800000000, -0.0010751400000000 ]  - [  -0.0003033800000000,  0.0003024200000000, -0.0005660800000000 ]  - [  -0.0004732200000000,  0.0000070100000000, -0.0006403300000000 ]  - [  -0.0005338000000000,  0.0001130700000000, -0.0007151800000000 ]  - [  -0.0007307600000000,  0.0000962600000000, -0.0007918900000000 ]  - [  -0.0004183600000000, -0.0000022600000000, -0.0006305100000000 ]  - [   0.0004675400000000, -0.0000061300000000,  0.0006350600000000 ]  - [   0.0004081100000000, -0.0001106400000000,  0.0005613900000000 ]  - [   0.0002098100000000, -0.0000969500000000,  0.0004821800000000 ]  - [   0.0005232600000000,  0.0000014600000000,  0.0006458800000000 ]  - [   0.0004562600000000, -0.0000162800000000,  0.0006274100000000 ]  - [   0.0004278400000000, -0.0000136900000000,  0.0005983100000000 ]  - [  -0.0000812500000000,  0.0003425700000000,  0.0001977900000000 ]  - [   0.0006167500000000, -0.0002468800000000,  0.0006638400000000 ]  - [   0.0007730600000000,  0.0001616200000000,  0.0002229200000000 ]  - [   0.0007265300000000,  0.0000108100000000,  0.0001544300000000 ]  - [   0.0007240200000000,  0.0000477400000000,  0.0001602200000000 ]  - [   0.0007162500000000,  0.0000190900000000,  0.0001526400000000 ]  - [   0.0007817200000000, -0.0000659400000000,  0.0004891200000000 ]  - [   0.0006976100000000, -0.0000352700000000,  0.0001360700000000 ]  - [   0.0008321900000000,  0.0002066100000000,  0.0004057200000000 ]  - [   0.0006876000000000,  0.0000269800000000,  0.0001604700000000 ]  - [  -0.0006556800000000,  0.0001221700000000,  0.0001787900000000 ]  - [  -0.0007370500000000,  0.0000947500000000, -0.0001711000000000 ]  - [  -0.0006051700000000, -0.0001498000000000,  0.0000971000000000 ]  - [  -0.0007500800000000,  0.0000355100000000, -0.0001512200000000 ]  - [  -0.0006642600000000, -0.0001004600000000, -0.0000857700000000 ]  - [  -0.0007111500000000,  0.0000504800000000, -0.0001559000000000 ]  - [  -0.0007141000000000,  0.0000149800000000, -0.0001491300000000 ]  - [  -0.0007216900000000,  0.0000436200000000, -0.0001567100000000 ]  - [   0.0190872200000000,  0.0135306300000000,  0.0106356300000000 ]  - [  -0.0004991100000000,  0.0000745100000000, -0.0004747800000000 ]  - [  -0.0007261900000000, -0.0000423000000000, -0.0001578200000000 ]  - [  -0.0007177200000000, -0.0000315000000000, -0.0001499800000000 ]  - [  -0.0011224400000000,  0.0001301400000000,  0.0001741800000000 ]  - [  -0.0008144100000000, -0.0001099200000000, -0.0000479900000000 ]  - [  -0.0007242100000000, -0.0000315900000000, -0.0001535100000000 ]  - [  -0.0007188100000000, -0.0000321500000000, -0.0001534700000000 ]  - [   0.0003184100000000, -0.0001955700000000,  0.0004775200000000 ]  - [   0.0006248600000000,  0.0000455600000000,  0.0002586400000000 ]  - [   0.0007136300000000, -0.0000304200000000,  0.0001558000000000 ]  - [   0.0007189000000000, -0.0000295600000000,  0.0001555800000000 ]  - [   0.0202148200000000, -0.0130369600000000,  0.0104477700000000 ]  - [   0.0009397700000000, -0.0001316700000000, -0.0001434000000000 ]  - [   0.0007114400000000, -0.0000194500000000,  0.0001510000000000 ]  - [   0.0007199400000000, -0.0000303400000000,  0.0001586600000000 ]  - [   0.0190640400000000, -0.0141846900000000,  0.0087017400000000 ]  - [  -0.0003553100000000,  0.0001491600000000, -0.0008951700000000 ]  - [  -0.0003776800000000,  0.0001244600000000, -0.0004768700000000 ]  - [  -0.0004816100000000, -0.0000298700000000, -0.0006744300000000 ]  - [  -0.0002116900000000,  0.0000129000000000, -0.0005054500000000 ]  - [  -0.0004456100000000,  0.0000551500000000, -0.0007095600000000 ]  - [  -0.0004615000000000,  0.0000198800000000, -0.0006152600000000 ]  - [  -0.0004886700000000, -0.0000277800000000, -0.0006654700000000 ]  - [   0.0007309900000000, -0.0000126800000000,  0.0007666900000000 ]  - [   0.0004943100000000, -0.0000566300000000,  0.0005649000000000 ]  - [   0.0004797200000000, -0.0000183900000000,  0.0006605000000000 ]  - [   0.0004521300000000,  0.0000295700000000,  0.0006097100000000 ]  - [   0.0199093500000000,  0.0138977500000000,  0.0097279000000000 ]  - [   0.0005844400000000, -0.0001491700000000,  0.0003853300000000 ]  - [   0.0005637300000000, -0.0001233000000000,  0.0007988000000000 ]  - [   0.0004596700000000,  0.0000311200000000,  0.0006014100000000 ]  - [   0.0007783400000000,  0.0001362100000000,  0.0000971300000000 ]  - [   0.0006205600000000, -0.0000416300000000,  0.0001547900000000 ]  - [   0.0007298700000000,  0.0000458300000000,  0.0001663600000000 ]  - [   0.0007131200000000,  0.0000251600000000,  0.0001548500000000 ]  - [   0.0457465300000000,  0.0009358100000000, -0.0188958800000000 ]  - [   0.0006434100000000,  0.0004459500000000,  0.0009298400000000 ]  - [   0.0007201100000000,  0.0000326400000000,  0.0001543800000000 ]  - [   0.0007207500000000,  0.0000352700000000,  0.0001530800000000 ]  - [   0.0422711600000000, -0.0006246100000000, -0.0179078700000000 ]  - [  -0.0007934600000000, -0.0003943100000000,  0.0006259600000000 ]  - [  -0.0007181300000000,  0.0000305000000000, -0.0001565100000000 ]  - [  -0.0007174100000000,  0.0000277200000000, -0.0001576400000000 ]  - [  -0.0006583600000000, -0.0000738400000000, -0.0002126900000000 ]  - [  -0.0008169800000000,  0.0001048100000000, -0.0001534700000000 ]  - [  -0.0007079700000000,  0.0000167500000000, -0.0001437600000000 ]  - [  -0.0007249000000000,  0.0000373800000000, -0.0001551300000000 ]  - [  -0.0008912900000000,  0.0000374000000000, -0.0004515200000000 ]  - [  -0.0003175000000000, -0.0001005600000000, -0.0003385200000000 ]  - [  -0.0005967500000000,  0.0000127600000000, -0.0001284900000000 ]  - [  -0.0007963900000000,  0.0000126200000000, -0.0001653200000000 ]  - [  -0.0005608500000000, -0.0001325500000000, -0.0003100800000000 ]  - [  -0.0007131500000000, -0.0000504200000000, -0.0001351200000000 ]  - [  -0.0006780800000000, -0.0000423500000000, -0.0001529100000000 ]  - [  -0.0008242800000000, -0.0001122900000000, -0.0001786100000000 ]  - [   0.0008766000000000,  0.0000738000000000, -0.0000029300000000 ]  - [   0.0007248700000000, -0.0000116200000000,  0.0001746900000000 ]  - [   0.0007603100000000, -0.0000200200000000,  0.0001566800000000 ]  - [   0.0006139700000000,  0.0000499500000000,  0.0001306800000000 ]  - [   0.0005450900000000, -0.0000980100000000, -0.0001444300000000 ]  - [   0.0011227600000000,  0.0000399200000000, -0.0000281000000000 ]  - [   0.0008392300000000, -0.0000710300000000,  0.0001776500000000 ]  - [   0.0006411900000000, -0.0000725000000000,  0.0001439500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.1806390400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0019106700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0017336800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0017457600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0019572400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002441300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0017122200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0017249200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0087671000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0024657700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0013395700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0014398200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0020163200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0015115500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0015040800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0014850000000000,  0.0000000000000000 ]  - [   0.0000228900000000,  0.0017171800000000,  0.0002157600000000 ]  - [  -0.0000228900000000,  0.0017171800000000, -0.0002157600000000 ]  - [   0.0001606000000000,  0.0017189400000000, -0.0000977200000000 ]  - [  -0.0001606000000000,  0.0017189400000000,  0.0000977200000000 ]  - [   0.0001711500000000,  0.0017551800000000,  0.0000505900000000 ]  - [  -0.0001711500000000,  0.0017551800000000, -0.0000505900000000 ]  - [  -0.0001660100000000,  0.0017538200000000,  0.0000404800000000 ]  - [   0.0001660100000000,  0.0017538200000000, -0.0000404800000000 ]  - [  -0.0047342000000000,  0.0008616500000000, -0.0007194300000000 ]  - [   0.0047342000000000,  0.0008616500000000,  0.0007194300000000 ]  - [   0.0000195700000000, -0.0014691800000000,  0.0000119900000000 ]  - [  -0.0000195700000000, -0.0014691800000000, -0.0000119900000000 ]  - [   0.0004128300000000, -0.0016170900000000, -0.0001259700000000 ]  - [  -0.0004128300000000, -0.0016170900000000,  0.0001259700000000 ]  - [   0.0000271200000000, -0.0015112500000000, -0.0000013300000000 ]  - [  -0.0000271200000000, -0.0015112500000000,  0.0000013300000000 ]  - [  -0.0004791000000000, -0.0000404400000000, -0.0006958000000000 ]  - [  -0.0005388400000000, -0.0000666200000000, -0.0005867000000000 ]  - [  -0.0003093500000000,  0.0000455600000000, -0.0000720200000000 ]  - [  -0.0005392000000000,  0.0001306400000000, -0.0002209300000000 ]  - [  -0.0005141400000000, -0.0000280500000000, -0.0006848800000000 ]  - [  -0.0004388800000000, -0.0001113300000000, -0.0005944200000000 ]  - [  -0.0003238200000000, -0.0001324400000000, -0.0005245100000000 ]  - [  -0.0004248600000000,  0.0000196800000000, -0.0005630800000000 ]  - [   0.0005141400000000, -0.0000280500000000,  0.0006848800000000 ]  - [   0.0004388800000000, -0.0001113300000000,  0.0005944200000000 ]  - [   0.0003238200000000, -0.0001324400000000,  0.0005245100000000 ]  - [   0.0004248600000000,  0.0000196800000000,  0.0005630800000000 ]  - [   0.0004791000000000, -0.0000404400000000,  0.0006958000000000 ]  - [   0.0005388400000000, -0.0000666200000000,  0.0005867000000000 ]  - [   0.0003093500000000,  0.0000455600000000,  0.0000720200000000 ]  - [   0.0005392000000000,  0.0001306400000000,  0.0002209300000000 ]  - [   0.0007704000000000,  0.0001334900000000,  0.0002276300000000 ]  - [   0.0007403100000000,  0.0000651000000000,  0.0001724300000000 ]  - [   0.0007020100000000,  0.0000044900000000,  0.0001275500000000 ]  - [   0.0006897100000000,  0.0000009600000000,  0.0001344400000000 ]  - [   0.0009416700000000,  0.0003009500000000,  0.0005023600000000 ]  - [   0.0009355200000000,  0.0002772900000000,  0.0002553800000000 ]  - [   0.0007239200000000,  0.0002293300000000,  0.0001249500000000 ]  - [   0.0007274200000000,  0.0000034900000000,  0.0000556500000000 ]  - [  -0.0009416700000000,  0.0003009500000000, -0.0005023600000000 ]  - [  -0.0009355200000000,  0.0002772900000000, -0.0002553800000000 ]  - [  -0.0007239200000000,  0.0002293300000000, -0.0001249500000000 ]  - [  -0.0007274200000000,  0.0000034900000000, -0.0000556500000000 ]  - [  -0.0007704000000000,  0.0001334900000000, -0.0002276300000000 ]  - [  -0.0007403100000000,  0.0000651000000000, -0.0001724300000000 ]  - [  -0.0007020100000000,  0.0000044900000000, -0.0001275500000000 ]  - [  -0.0006897100000000,  0.0000009600000000, -0.0001344400000000 ]  - [   0.0137754800000000,  0.0363604100000000,  0.0168887000000000 ]  - [  -0.0009288300000000,  0.0000138300000000, -0.0001800800000000 ]  - [  -0.0007535900000000, -0.0000550100000000, -0.0002524900000000 ]  - [  -0.0007452500000000, -0.0000533900000000, -0.0002162300000000 ]  - [  -0.0003653700000000, -0.0001098600000000, -0.0002927500000000 ]  - [  -0.0006971100000000,  0.0004502800000000,  0.0001680200000000 ]  - [  -0.0007397400000000, -0.0000510900000000, -0.0001950400000000 ]  - [  -0.0007435400000000, -0.0000549600000000, -0.0002014300000000 ]  - [   0.0003653700000000, -0.0001098600000000,  0.0002927500000000 ]  - [   0.0006971100000000,  0.0004502800000000, -0.0001680200000000 ]  - [   0.0007397400000000, -0.0000510900000000,  0.0001950400000000 ]  - [   0.0007435400000000, -0.0000549600000000,  0.0002014300000000 ]  - [  -0.0137754800000000,  0.0363604100000000, -0.0168887000000000 ]  - [   0.0009288300000000,  0.0000138300000000,  0.0001800800000000 ]  - [   0.0007535900000000, -0.0000550100000000,  0.0002524900000000 ]  - [   0.0007452500000000, -0.0000533900000000,  0.0002162300000000 ]  - [  -0.0128028800000000,  0.0345718500000000, -0.0167807600000000 ]  - [  -0.0003019200000000,  0.0004266900000000, -0.0004010300000000 ]  - [  -0.0004649400000000, -0.0000853600000000, -0.0006271100000000 ]  - [  -0.0004702000000000, -0.0000808800000000, -0.0006416500000000 ]  - [  -0.0003746400000000,  0.0001247200000000, -0.0006189300000000 ]  - [  -0.0005148100000000,  0.0002701100000000, -0.0007552200000000 ]  - [  -0.0004679600000000, -0.0000675300000000, -0.0006369500000000 ]  - [  -0.0004722600000000, -0.0000765100000000, -0.0006384000000000 ]  - [   0.0003746400000000,  0.0001247200000000,  0.0006189300000000 ]  - [   0.0005148100000000,  0.0002701100000000,  0.0007552200000000 ]  - [   0.0004679600000000, -0.0000675300000000,  0.0006369500000000 ]  - [   0.0004722600000000, -0.0000765100000000,  0.0006384000000000 ]  - [   0.0128028800000000,  0.0345718500000000,  0.0167807600000000 ]  - [   0.0003019200000000,  0.0004266900000000,  0.0004010300000000 ]  - [   0.0004649400000000, -0.0000853600000000,  0.0006271100000000 ]  - [   0.0004702000000000, -0.0000808800000000,  0.0006416500000000 ]  - [   0.0008843900000000, -0.0001063000000000,  0.0001606200000000 ]  - [   0.0007835900000000, -0.0000094000000000,  0.0001862200000000 ]  - [   0.0006988000000000,  0.0000197900000000,  0.0001070900000000 ]  - [   0.0006937800000000,  0.0000148600000000,  0.0001108700000000 ]  - [  -0.0000059200000000,  0.0118871400000000, -0.0003781500000000 ]  - [   0.0007266600000000, -0.0005324300000000,  0.0001142600000000 ]  - [   0.0006822600000000,  0.0000053600000000,  0.0000825800000000 ]  - [   0.0006912000000000,  0.0000038800000000,  0.0000776700000000 ]  - [   0.0000059200000000,  0.0118871400000000,  0.0003781500000000 ]  - [  -0.0007266600000000, -0.0005324300000000, -0.0001142600000000 ]  - [  -0.0006822600000000,  0.0000053600000000, -0.0000825800000000 ]  - [  -0.0006912000000000,  0.0000038800000000, -0.0000776700000000 ]  - [  -0.0008843900000000, -0.0001063000000000, -0.0001606200000000 ]  - [  -0.0007835900000000, -0.0000094000000000, -0.0001862200000000 ]  - [  -0.0006988000000000,  0.0000197900000000, -0.0001070900000000 ]  - [  -0.0006937800000000,  0.0000148600000000, -0.0001108700000000 ]  - [  -0.0001772600000000, -0.0003680100000000, -0.0007550200000000 ]  - [  -0.0007954800000000,  0.0000465100000000, -0.0002444900000000 ]  - [  -0.0007629100000000, -0.0000576000000000, -0.0002777100000000 ]  - [  -0.0007130700000000, -0.0000308700000000, -0.0002526900000000 ]  - [  -0.0008349600000000, -0.0000754400000000, -0.0000801800000000 ]  - [  -0.0007085300000000, -0.0000541300000000, -0.0001756100000000 ]  - [  -0.0007215300000000, -0.0000014600000000, -0.0001688400000000 ]  - [  -0.0007694900000000, -0.0000638000000000, -0.0002012600000000 ]  - [   0.0008349600000000, -0.0000754400000000,  0.0000801800000000 ]  - [   0.0007085300000000, -0.0000541300000000,  0.0001756100000000 ]  - [   0.0007215300000000, -0.0000014600000000,  0.0001688400000000 ]  - [   0.0007694900000000, -0.0000638000000000,  0.0002012600000000 ]  - [   0.0001772600000000, -0.0003680100000000,  0.0007550200000000 ]  - [   0.0007954800000000,  0.0000465100000000,  0.0002444900000000 ]  - [   0.0007629100000000, -0.0000576000000000,  0.0002777100000000 ]  - [   0.0007130700000000, -0.0000308700000000,  0.0002526900000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.1848490700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013184900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014881100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014778600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0012628100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0029694900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0015105200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014978200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0120929100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0007602600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0018796900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0017776500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0012056200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0017117000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0017144900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0017337400000000,  0.0000000000000000 ]  - [  -0.0000131900000000,  0.0015079600000000, -0.0002221900000000 ]  - [   0.0000131900000000,  0.0015079600000000,  0.0002221900000000 ]  - [  -0.0001581000000000,  0.0015096500000000,  0.0000906000000000 ]  - [   0.0001581000000000,  0.0015096500000000, -0.0000906000000000 ]  - [  -0.0001691600000000,  0.0014678500000000, -0.0000493000000000 ]  - [   0.0001691600000000,  0.0014678500000000,  0.0000493000000000 ]  - [   0.0001675200000000,  0.0014665100000000, -0.0000410000000000 ]  - [  -0.0001675200000000,  0.0014665100000000,  0.0000410000000000 ]  - [   0.0047578500000000, -0.0040476900000000,  0.0005537600000000 ]  - [  -0.0047578500000000, -0.0040476900000000, -0.0005537600000000 ]  - [  -0.0000195300000000, -0.0017485500000000, -0.0000115800000000 ]  - [   0.0000195300000000, -0.0017485500000000,  0.0000115800000000 ]  - [  -0.0004129800000000, -0.0016021900000000,  0.0001239000000000 ]  - [   0.0004129800000000, -0.0016021900000000, -0.0001239000000000 ]  - [  -0.0000268100000000, -0.0017069000000000,  0.0000015100000000 ]  - [   0.0000268100000000, -0.0017069000000000, -0.0000015100000000 ]  - [  -0.0004620300000000,  0.0000406400000000, -0.0005808500000000 ]  - [  -0.0004017000000000,  0.0000651800000000, -0.0006895900000000 ]  - [  -0.0006230600000000, -0.0000409500000000, -0.0011988000000000 ]  - [  -0.0004017300000000, -0.0001456700000000, -0.0010846800000000 ]  - [  -0.0004279300000000,  0.0000287700000000, -0.0005911400000000 ]  - [  -0.0005015200000000,  0.0001100600000000, -0.0006794500000000 ]  - [  -0.0006189600000000,  0.0001335500000000, -0.0007512000000000 ]  - [  -0.0005163400000000, -0.0000182800000000, -0.0007118400000000 ]  - [   0.0004279300000000,  0.0000287700000000,  0.0005911400000000 ]  - [   0.0005015200000000,  0.0001100600000000,  0.0006794500000000 ]  - [   0.0006189600000000,  0.0001335500000000,  0.0007512000000000 ]  - [   0.0005163400000000, -0.0000182800000000,  0.0007118400000000 ]  - [   0.0004620300000000,  0.0000406400000000,  0.0005808500000000 ]  - [   0.0004017000000000,  0.0000651800000000,  0.0006895900000000 ]  - [   0.0006230600000000, -0.0000409500000000,  0.0011988000000000 ]  - [   0.0004017300000000, -0.0001456700000000,  0.0010846800000000 ]  - [   0.0006671300000000, -0.0000694000000000,  0.0000828500000000 ]  - [   0.0006974600000000, -0.0000005300000000,  0.0001377200000000 ]  - [   0.0007349000000000,  0.0000583600000000,  0.0001819800000000 ]  - [   0.0007477100000000,  0.0000616600000000,  0.0001746800000000 ]  - [   0.0004733700000000, -0.0002692000000000, -0.0002095100000000 ]  - [   0.0005053000000000, -0.0002128700000000,  0.0000542900000000 ]  - [   0.0007143900000000, -0.0001673700000000,  0.0001869700000000 ]  - [   0.0007106800000000,  0.0000593300000000,  0.0002521900000000 ]  - [  -0.0004733700000000, -0.0002692000000000,  0.0002095100000000 ]  - [  -0.0005053000000000, -0.0002128700000000, -0.0000542900000000 ]  - [  -0.0007143900000000, -0.0001673700000000, -0.0001869700000000 ]  - [  -0.0007106800000000,  0.0000593300000000, -0.0002521900000000 ]  - [  -0.0006671300000000, -0.0000694000000000, -0.0000828500000000 ]  - [  -0.0006974600000000, -0.0000005300000000, -0.0001377200000000 ]  - [  -0.0007349000000000,  0.0000583600000000, -0.0001819800000000 ]  - [  -0.0007477100000000,  0.0000616600000000, -0.0001746800000000 ]  - [  -0.0143850400000000, -0.0353729900000000, -0.0162864000000000 ]  - [  -0.0005521000000000, -0.0000817100000000, -0.0000927800000000 ]  - [  -0.0006847300000000, -0.0000066400000000, -0.0000585100000000 ]  - [  -0.0006930300000000, -0.0000087400000000, -0.0000944700000000 ]  - [  -0.0010733800000000,  0.0000495100000000, -0.0000168900000000 ]  - [  -0.0007362800000000, -0.0005085200000000, -0.0004719400000000 ]  - [  -0.0006985400000000, -0.0000110100000000, -0.0001151900000000 ]  - [  -0.0006946500000000, -0.0000070400000000, -0.0001087600000000 ]  - [   0.0010733800000000,  0.0000495100000000,  0.0000168900000000 ]  - [   0.0007362800000000, -0.0005085200000000,  0.0004719400000000 ]  - [   0.0006985400000000, -0.0000110100000000,  0.0001151900000000 ]  - [   0.0006946500000000, -0.0000070400000000,  0.0001087600000000 ]  - [   0.0143850400000000, -0.0353729900000000,  0.0162864000000000 ]  - [   0.0005521000000000, -0.0000817100000000,  0.0000927800000000 ]  - [   0.0006847300000000, -0.0000066400000000,  0.0000585100000000 ]  - [   0.0006930300000000, -0.0000087400000000,  0.0000944700000000 ]  - [   0.0125389500000000, -0.0360688100000000,  0.0166437000000000 ]  - [  -0.0006334700000000, -0.0004230900000000, -0.0008705000000000 ]  - [  -0.0004757300000000,  0.0000859900000000, -0.0006472100000000 ]  - [  -0.0004710000000000,  0.0000806000000000, -0.0006338600000000 ]  - [  -0.0005657000000000, -0.0001217800000000, -0.0006550800000000 ]  - [  -0.0004255000000000, -0.0002672800000000, -0.0005190200000000 ]  - [  -0.0004732000000000,  0.0000675000000000, -0.0006388000000000 ]  - [  -0.0004687200000000,  0.0000765000000000, -0.0006371400000000 ]  - [   0.0005657000000000, -0.0001217800000000,  0.0006550800000000 ]  - [   0.0004255000000000, -0.0002672800000000,  0.0005190200000000 ]  - [   0.0004732000000000,  0.0000675000000000,  0.0006388000000000 ]  - [   0.0004687200000000,  0.0000765000000000,  0.0006371400000000 ]  - [  -0.0125389500000000, -0.0360688100000000, -0.0166437000000000 ]  - [   0.0006334700000000, -0.0004230900000000,  0.0008705000000000 ]  - [   0.0004757300000000,  0.0000859900000000,  0.0006472100000000 ]  - [   0.0004710000000000,  0.0000806000000000,  0.0006338600000000 ]  - [   0.0005554600000000,  0.0001674400000000,  0.0001437200000000 ]  - [   0.0006541600000000,  0.0000717300000000,  0.0001235900000000 ]  - [   0.0007384800000000,  0.0000430500000000,  0.0002018800000000 ]  - [   0.0007436200000000,  0.0000479400000000,  0.0001981600000000 ]  - [   0.0013954500000000, -0.0118701900000000,  0.0006440900000000 ]  - [   0.0007112800000000,  0.0006035900000000,  0.0001952800000000 ]  - [   0.0007548200000000,  0.0000575900000000,  0.0002262400000000 ]  - [   0.0007461100000000,  0.0000588500000000,  0.0002308800000000 ]  - [  -0.0013954500000000, -0.0118701900000000, -0.0006440900000000 ]  - [  -0.0007112800000000,  0.0006035900000000, -0.0001952800000000 ]  - [  -0.0007548200000000,  0.0000575900000000, -0.0002262400000000 ]  - [  -0.0007461100000000,  0.0000588500000000, -0.0002308800000000 ]  - [  -0.0005554600000000,  0.0001674400000000, -0.0001437200000000 ]  - [  -0.0006541600000000,  0.0000717300000000, -0.0001235900000000 ]  - [  -0.0007384800000000,  0.0000430500000000, -0.0002018800000000 ]  - [  -0.0007436200000000,  0.0000479400000000, -0.0001981600000000 ]  - [  -0.0012644100000000,  0.0003065300000000,  0.0004507800000000 ]  - [  -0.0006475700000000, -0.0001058900000000, -0.0000650700000000 ]  - [  -0.0006768000000000, -0.0000068800000000, -0.0000345400000000 ]  - [  -0.0007256400000000, -0.0000343500000000, -0.0000600900000000 ]  - [  -0.0006058800000000,  0.0000143100000000, -0.0002242200000000 ]  - [  -0.0007295300000000, -0.0000078500000000, -0.0001339800000000 ]  - [  -0.0007164000000000, -0.0000600100000000, -0.0001408400000000 ]  - [  -0.0006680900000000,  0.0000026800000000, -0.0001083200000000 ]  - [   0.0006058800000000,  0.0000143100000000,  0.0002242200000000 ]  - [   0.0007295300000000, -0.0000078500000000,  0.0001339800000000 ]  - [   0.0007164000000000, -0.0000600100000000,  0.0001408400000000 ]  - [   0.0006680900000000,  0.0000026800000000,  0.0001083200000000 ]  - [   0.0012644100000000,  0.0003065300000000, -0.0004507800000000 ]  - [   0.0006475700000000, -0.0001058900000000,  0.0000650700000000 ]  - [   0.0006768000000000, -0.0000068800000000,  0.0000345400000000 ]  - [   0.0007256400000000, -0.0000343500000000,  0.0000600900000000 ]- atom:    1  displacement:    [  -0.0031358584632606,  0.0000000000000000,  0.0094955985434514 ]  forces:  - [   0.0570019600000000,  0.0015521800000000, -0.1575392800000000 ]  - [  -0.0003512900000000,  0.0016116900000000, -0.0004380000000000 ]  - [  -0.0000211300000000,  0.0016091600000000, -0.0000242400000000 ]  - [   0.0000049700000000,  0.0016092300000000,  0.0000116300000000 ]  - [  -0.0002740700000000,  0.0016142000000000,  0.0001127300000000 ]  - [   0.0000049900000000,  0.0016127700000000,  0.0000548800000000 ]  - [  -0.0000018900000000,  0.0016089700000000, -0.0000004900000000 ]  - [  -0.0000029200000000,  0.0016090800000000,  0.0000047300000000 ]  - [   0.0007018900000000, -0.0015794600000000, -0.0012386100000000 ]  - [   0.0004694100000000, -0.0016059100000000, -0.0008830100000000 ]  - [  -0.0002754800000000, -0.0016118400000000, -0.0002634800000000 ]  - [  -0.0000095400000000, -0.0016108200000000, -0.0000548700000000 ]  - [   0.0004142000000000, -0.0016081800000000, -0.0000918300000000 ]  - [   0.0000279200000000, -0.0016091400000000,  0.0000418500000000 ]  - [  -0.0000081900000000, -0.0016100900000000, -0.0000037000000000 ]  - [  -0.0000061200000000, -0.0016107300000000,  0.0000054500000000 ]  - [   0.0001111400000000,  0.0017443100000000, -0.0002809800000000 ]  - [   0.0001133700000000,  0.0014651900000000, -0.0002773300000000 ]  - [  -0.0000507100000000,  0.0014075300000000, -0.0003341800000000 ]  - [  -0.0000462600000000,  0.0018122400000000, -0.0003303900000000 ]  - [  -0.0001054100000000,  0.0015190900000000,  0.0000084200000000 ]  - [  -0.0001058600000000,  0.0017009700000000,  0.0000087400000000 ]  - [  -0.0000447100000000,  0.0016162600000000,  0.0000287100000000 ]  - [  -0.0000443300000000,  0.0016044900000000,  0.0000288600000000 ]  - [  -0.0026537900000000, -0.0008070400000000, -0.0009640800000000 ]  - [  -0.0027256700000000, -0.0025760900000000, -0.0010827700000000 ]  - [   0.0000024600000000, -0.0016057300000000, -0.0000303100000000 ]  - [   0.0000024300000000, -0.0016161700000000, -0.0000299100000000 ]  - [   0.0000636100000000, -0.0018524400000000, -0.0000252400000000 ]  - [   0.0000616500000000, -0.0013562700000000, -0.0000265100000000 ]  - [   0.0000015800000000, -0.0016201300000000,  0.0000025800000000 ]  - [   0.0000015100000000, -0.0016007200000000,  0.0000024800000000 ]  - [  -0.0004567700000000, -0.0000131000000000, -0.0006119800000000 ]  - [  -0.0004481100000000, -0.0000190500000000, -0.0005880800000000 ]  - [  -0.0002667900000000,  0.0002257100000000, -0.0003162200000000 ]  - [  -0.0008082600000000, -0.0002200800000000, -0.0002536900000000 ]  - [  -0.0004776600000000,  0.0000095000000000, -0.0006427700000000 ]  - [  -0.0004242500000000, -0.0000752500000000, -0.0005858700000000 ]  - [  -0.0004361700000000, -0.0000463000000000, -0.0006117100000000 ]  - [  -0.0005047100000000, -0.0000874300000000, -0.0006547100000000 ]  - [   0.0004635800000000, -0.0000090000000000,  0.0006377000000000 ]  - [   0.0005166800000000,  0.0000751100000000,  0.0006941300000000 ]  - [   0.0005068700000000,  0.0000431400000000,  0.0006703800000000 ]  - [   0.0004397400000000,  0.0000821700000000,  0.0006295600000000 ]  - [   0.0004854200000000,  0.0000118900000000,  0.0006685800000000 ]  - [   0.0004957300000000,  0.0000208200000000,  0.0006955900000000 ]  - [   0.0006761500000000, -0.0002255800000000,  0.0009584500000000 ]  - [   0.0001102500000000,  0.0002785100000000,  0.0009814100000000 ]  - [   0.0006805900000000, -0.0000405800000000,  0.0001242000000000 ]  - [   0.0007056600000000,  0.0000252300000000,  0.0001327700000000 ]  - [   0.0007227500000000,  0.0000354200000000,  0.0001626100000000 ]  - [   0.0007285500000000,  0.0000311400000000,  0.0001561000000000 ]  - [   0.0007597500000000, -0.0002388900000000,  0.0004854100000000 ]  - [   0.0006895400000000,  0.0001570600000000,  0.0002735100000000 ]  - [   0.0008115700000000,  0.0001521900000000,  0.0002980200000000 ]  - [   0.0007025700000000,  0.0000314800000000,  0.0001943800000000 ]  - [  -0.0006789500000000,  0.0002937400000000,  0.0001768000000000 ]  - [  -0.0007481200000000, -0.0000954200000000, -0.0000398500000000 ]  - [  -0.0006253800000000, -0.0000909500000000, -0.0000183200000000 ]  - [  -0.0007348700000000,  0.0000316500000000, -0.0001235900000000 ]  - [  -0.0007579400000000,  0.0001047500000000, -0.0001920100000000 ]  - [  -0.0007327200000000,  0.0000368200000000, -0.0001821900000000 ]  - [  -0.0007168300000000,  0.0000300500000000, -0.0001544400000000 ]  - [  -0.0007101900000000,  0.0000328000000000, -0.0001597400000000 ]  - [   0.0060783000000000,  0.0154915800000000,  0.0238129800000000 ]  - [  -0.0004944100000000, -0.0002092900000000,  0.0003345000000000 ]  - [  -0.0007149600000000, -0.0000343000000000, -0.0001491000000000 ]  - [  -0.0007191400000000, -0.0000322000000000, -0.0001592400000000 ]  - [  -0.0008128200000000, -0.0000494200000000, -0.0002036400000000 ]  - [  -0.0007207700000000, -0.0000150000000000, -0.0000676500000000 ]  - [  -0.0007137100000000, -0.0000297400000000, -0.0001580200000000 ]  - [  -0.0007189600000000, -0.0000311200000000, -0.0001562500000000 ]  - [   0.0006197300000000, -0.0000171200000000,  0.0001127900000000 ]  - [   0.0007180200000000, -0.0000520600000000,  0.0002471200000000 ]  - [   0.0007242200000000, -0.0000335600000000,  0.0001568500000000 ]  - [   0.0007189900000000, -0.0000323700000000,  0.0001587800000000 ]  - [   0.0073328500000000, -0.0151231900000000,  0.0237237600000000 ]  - [   0.0009474100000000,  0.0001563800000000,  0.0006616100000000 ]  - [   0.0007195300000000, -0.0000255100000000,  0.0001638000000000 ]  - [   0.0007158700000000, -0.0000287400000000,  0.0001542100000000 ]  - [   0.0033428400000000, -0.0164852400000000,  0.0231716200000000 ]  - [  -0.0004001000000000,  0.0000935100000000, -0.0003381400000000 ]  - [  -0.0004115700000000,  0.0000458100000000, -0.0005538600000000 ]  - [  -0.0004677000000000,  0.0000069200000000, -0.0006375200000000 ]  - [  -0.0005788000000000, -0.0000598800000000, -0.0006339600000000 ]  - [  -0.0005016800000000, -0.0000104600000000, -0.0006098300000000 ]  - [  -0.0004723700000000, -0.0000035600000000, -0.0006418100000000 ]  - [  -0.0004697600000000,  0.0000007700000000, -0.0006407500000000 ]  - [   0.0003664200000000,  0.0000574400000000,  0.0006434500000000 ]  - [   0.0004398300000000,  0.0000109100000000,  0.0006718500000000 ]  - [   0.0004718800000000,  0.0000027800000000,  0.0006423300000000 ]  - [   0.0004733200000000,  0.0000007200000000,  0.0006417100000000 ]  - [   0.0040071500000000,  0.0160268900000000,  0.0240951400000000 ]  - [   0.0005382700000000, -0.0000905700000000,  0.0009431700000000 ]  - [   0.0005292700000000, -0.0000482500000000,  0.0007262200000000 ]  - [   0.0004734200000000, -0.0000078100000000,  0.0006428100000000 ]  - [   0.0009335400000000, -0.0002253700000000, -0.0000338300000000 ]  - [   0.0007295700000000,  0.0000345100000000,  0.0001534800000000 ]  - [   0.0007126500000000,  0.0000229400000000,  0.0001525000000000 ]  - [   0.0007190300000000,  0.0000331600000000,  0.0001577700000000 ]  - [  -0.0347404000000000, -0.0019057100000000,  0.0310024100000000 ]  - [   0.0008034100000000,  0.0000266900000000,  0.0001489000000000 ]  - [   0.0007264200000000,  0.0000345200000000,  0.0001601000000000 ]  - [   0.0007175700000000,  0.0000299100000000,  0.0001550200000000 ]  - [  -0.0380311500000000,  0.0021180500000000,  0.0318491900000000 ]  - [  -0.0006303700000000,  0.0000311600000000, -0.0001649500000000 ]  - [  -0.0007150800000000,  0.0000300900000000, -0.0001551600000000 ]  - [  -0.0007226700000000,  0.0000346500000000, -0.0001608400000000 ]  - [  -0.0005022400000000,  0.0002890500000000, -0.0003489700000000 ]  - [  -0.0007060400000000,  0.0000289800000000, -0.0001626000000000 ]  - [  -0.0007237700000000,  0.0000395400000000, -0.0001637000000000 ]  - [  -0.0007170300000000,  0.0000293000000000, -0.0001584800000000 ]  - [  -0.0008212100000000, -0.0000838500000000,  0.0000931600000000 ]  - [  -0.0012155200000000, -0.0000211000000000,  0.0002419000000000 ]  - [  -0.0006818800000000,  0.0000368300000000, -0.0001489000000000 ]  - [  -0.0007003500000000, -0.0000324500000000, -0.0001131600000000 ]  - [  -0.0007484400000000,  0.0000322500000000, -0.0000540600000000 ]  - [  -0.0007183700000000, -0.0000191700000000, -0.0001619000000000 ]  - [  -0.0007052200000000, -0.0000256400000000, -0.0001482300000000 ]  - [  -0.0007043200000000, -0.0000229800000000, -0.0001551300000000 ]  - [   0.0006866000000000, -0.0000928000000000,  0.0002596300000000 ]  - [   0.0007184600000000, -0.0000428700000000,  0.0001532000000000 ]  - [   0.0007291000000000, -0.0000371700000000,  0.0001684900000000 ]  - [   0.0007317000000000, -0.0000394800000000,  0.0001599300000000 ]  - [   0.0006171300000000,  0.0000228200000000,  0.0004031000000000 ]  - [   0.0002266800000000, -0.0000378800000000,  0.0005539600000000 ]  - [   0.0007512200000000, -0.0000949900000000,  0.0001621400000000 ]  - [   0.0007370100000000, -0.0000314700000000,  0.0002038200000000 ]- atom:   33  displacement:    [   0.0099983476490158,  0.0000000000000000,  0.0001817808829866 ]  forces:  - [  -0.0000145500000000,  0.0016001900000000,  0.0000104600000000 ]  - [  -0.0000441800000000,  0.0015421700000000,  0.0000114000000000 ]  - [  -0.0005657900000000,  0.0017777800000000,  0.0000361400000000 ]  - [   0.0001626100000000,  0.0015502600000000, -0.0003036500000000 ]  - [  -0.0000029600000000,  0.0015662000000000, -0.0000087700000000 ]  - [  -0.0000648300000000,  0.0016421600000000,  0.0000283800000000 ]  - [  -0.0002613700000000,  0.0017580800000000, -0.0000488900000000 ]  - [   0.0000520400000000,  0.0016571600000000, -0.0000175700000000 ]  - [  -0.0005657900000000, -0.0017777800000000,  0.0000361400000000 ]  - [   0.0001626100000000, -0.0015502600000000, -0.0003036500000000 ]  - [  -0.0000145500000000, -0.0016001900000000,  0.0000104600000000 ]  - [  -0.0000441800000000, -0.0015421700000000,  0.0000114000000000 ]  - [  -0.0002613700000000, -0.0017580800000000, -0.0000488900000000 ]  - [   0.0000520400000000, -0.0016571600000000, -0.0000175700000000 ]  - [  -0.0000029600000000, -0.0015662000000000, -0.0000087700000000 ]  - [  -0.0000648300000000, -0.0016421600000000,  0.0000283800000000 ]  - [   0.0194346500000000, -0.0112346200000000,  0.0106370800000000 ]  - [   0.0001078200000000,  0.0017813700000000,  0.0001147000000000 ]  - [   0.0000946900000000,  0.0016162900000000,  0.0000947400000000 ]  - [  -0.0000118800000000,  0.0016105700000000, -0.0000008300000000 ]  - [   0.0002628600000000,  0.0017061900000000, -0.0000252900000000 ]  - [   0.0000235100000000,  0.0015610000000000, -0.0000253600000000 ]  - [   0.0000097000000000,  0.0016126000000000,  0.0000026800000000 ]  - [  -0.0000187200000000,  0.0016084600000000, -0.0000046900000000 ]  - [   0.0000946900000000, -0.0016162900000000,  0.0000947400000000 ]  - [  -0.0000118800000000, -0.0016105700000000, -0.0000008300000000 ]  - [   0.0194346500000000,  0.0112346200000000,  0.0106370800000000 ]  - [   0.0001078200000000, -0.0017813700000000,  0.0001147000000000 ]  - [   0.0000097000000000, -0.0016126000000000,  0.0000026800000000 ]  - [  -0.0000187200000000, -0.0016084600000000, -0.0000046900000000 ]  - [   0.0002628600000000, -0.0017061900000000, -0.0000252900000000 ]  - [   0.0000235100000000, -0.0015610000000000, -0.0000253600000000 ]  - [  -0.0430001700000000,  0.0000000000000000, -0.0307940500000000 ]  - [  -0.0004163100000000,  0.0000000000000000, -0.0006561900000000 ]  - [  -0.0005280300000000,  0.0000000000000000, -0.0007200500000000 ]  - [  -0.0004678600000000,  0.0000000000000000, -0.0006345000000000 ]  - [  -0.0004265600000000,  0.0000000000000000, -0.0006750300000000 ]  - [  -0.0004627600000000,  0.0000000000000000, -0.0006301600000000 ]  - [  -0.0004646300000000,  0.0000000000000000, -0.0006406800000000 ]  - [  -0.0004675800000000,  0.0000000000000000, -0.0006306400000000 ]  - [   0.0004169100000000,  0.0000000000000000,  0.0007824600000000 ]  - [   0.0005810700000000,  0.0000000000000000,  0.0004986300000000 ]  - [   0.0004737700000000,  0.0000000000000000,  0.0006486800000000 ]  - [   0.0004661500000000,  0.0000000000000000,  0.0006318200000000 ]  - [   0.0004707400000000,  0.0000000000000000,  0.0006411700000000 ]  - [   0.0040425100000000,  0.0000000000000000,  0.0061628300000000 ]  - [   0.0004778000000000,  0.0000000000000000,  0.0006494400000000 ]  - [   0.0004459700000000,  0.0000000000000000,  0.0005999400000000 ]  - [   0.0006872300000000,  0.0000011300000000,  0.0001318800000000 ]  - [   0.0007576800000000,  0.0000360400000000,  0.0001659500000000 ]  - [   0.0007001700000000,  0.0000115100000000,  0.0001413600000000 ]  - [   0.0007478900000000,  0.0000491100000000,  0.0001589800000000 ]  - [  -0.0009921100000000,  0.0025442400000000, -0.0013636300000000 ]  - [   0.0007078400000000, -0.0001128900000000,  0.0000610700000000 ]  - [   0.0007205700000000,  0.0000308600000000,  0.0001656500000000 ]  - [   0.0007070500000000, -0.0000102100000000,  0.0001408000000000 ]  - [   0.0003073400000000,  0.0006121900000000, -0.0000942900000000 ]  - [   0.0014967800000000, -0.0021743300000000,  0.0009652000000000 ]  - [  -0.0007213700000000,  0.0000424700000000, -0.0001693200000000 ]  - [  -0.0007276400000000,  0.0000197500000000, -0.0001466900000000 ]  - [  -0.0007187100000000,  0.0000198400000000, -0.0001815200000000 ]  - [  -0.0008843000000000,  0.0000106700000000, -0.0000987100000000 ]  - [  -0.0007039500000000,  0.0000156400000000, -0.0001507000000000 ]  - [  -0.0007256200000000,  0.0000187900000000, -0.0001513300000000 ]  - [  -0.0007213700000000, -0.0000424700000000, -0.0001693200000000 ]  - [  -0.0007276400000000, -0.0000197500000000, -0.0001466900000000 ]  - [   0.0003073400000000, -0.0006121900000000, -0.0000942900000000 ]  - [   0.0014967800000000,  0.0021743300000000,  0.0009652000000000 ]  - [  -0.0007039500000000, -0.0000156400000000, -0.0001507000000000 ]  - [  -0.0007256200000000, -0.0000187900000000, -0.0001513300000000 ]  - [  -0.0007187100000000, -0.0000198400000000, -0.0001815200000000 ]  - [  -0.0008843000000000, -0.0000106700000000, -0.0000987100000000 ]  - [   0.0007001700000000, -0.0000115100000000,  0.0001413600000000 ]  - [   0.0007478900000000, -0.0000491100000000,  0.0001589800000000 ]  - [   0.0006872300000000, -0.0000011300000000,  0.0001318800000000 ]  - [   0.0007576800000000, -0.0000360400000000,  0.0001659500000000 ]  - [   0.0007205700000000, -0.0000308600000000,  0.0001656500000000 ]  - [   0.0007070500000000,  0.0000102100000000,  0.0001408000000000 ]  - [  -0.0009921100000000, -0.0025442400000000, -0.0013636300000000 ]  - [   0.0007078400000000,  0.0001128900000000,  0.0000610700000000 ]  - [  -0.0003938600000000,  0.0000590900000000, -0.0006088700000000 ]  - [  -0.0003956100000000,  0.0000721000000000, -0.0005283300000000 ]  - [  -0.0003938600000000, -0.0000590900000000, -0.0006088700000000 ]  - [  -0.0003956100000000, -0.0000721000000000, -0.0005283300000000 ]  - [  -0.0004084400000000,  0.0001140900000000, -0.0005656600000000 ]  - [  -0.0004067800000000, -0.0000568000000000, -0.0005884200000000 ]  - [  -0.0004084400000000, -0.0001140900000000, -0.0005656600000000 ]  - [  -0.0004067800000000,  0.0000568000000000, -0.0005884200000000 ]  - [   0.0004903200000000, -0.0000067100000000,  0.0006584000000000 ]  - [   0.0004447600000000,  0.0000346000000000,  0.0006042100000000 ]  - [   0.0004903200000000,  0.0000067100000000,  0.0006584000000000 ]  - [   0.0004447600000000, -0.0000346000000000,  0.0006042100000000 ]  - [   0.0005214900000000, -0.0000146100000000,  0.0006508300000000 ]  - [   0.0002855500000000,  0.0002579500000000,  0.0005957900000000 ]  - [   0.0005214900000000,  0.0000146100000000,  0.0006508300000000 ]  - [   0.0002855500000000, -0.0002579500000000,  0.0005957900000000 ]  - [   0.0007129300000000,  0.0000282000000000,  0.0001658200000000 ]  - [   0.0007250500000000,  0.0000249700000000,  0.0001586200000000 ]  - [   0.0007194900000000,  0.0000324800000000,  0.0001239600000000 ]  - [   0.0006949700000000,  0.0000510000000000,  0.0001701900000000 ]  - [   0.0007261700000000,  0.0000313600000000,  0.0001516200000000 ]  - [   0.0006785800000000, -0.0000166000000000,  0.0000859200000000 ]  - [   0.0009091800000000,  0.0000216000000000,  0.0000418500000000 ]  - [  -0.0004833600000000,  0.0043833100000000,  0.0036363900000000 ]  - [  -0.0007349900000000,  0.0000491300000000, -0.0001738300000000 ]  - [  -0.0007033900000000,  0.0000323600000000, -0.0001617600000000 ]  - [  -0.0012232100000000, -0.0005453800000000, -0.0010232900000000 ]  - [  -0.0003861600000000,  0.0000895500000000, -0.0004523100000000 ]  - [  -0.0007166900000000,  0.0000301300000000, -0.0001645400000000 ]  - [  -0.0007191100000000,  0.0000263800000000, -0.0001623100000000 ]  - [  -0.0006832600000000,  0.0000725300000000, -0.0001803100000000 ]  - [  -0.0007465800000000,  0.0000094200000000, -0.0001260400000000 ]  - [  -0.0012232100000000,  0.0005453800000000, -0.0010232900000000 ]  - [  -0.0003861600000000, -0.0000895500000000, -0.0004523100000000 ]  - [  -0.0007349900000000, -0.0000491300000000, -0.0001738300000000 ]  - [  -0.0007033900000000, -0.0000323600000000, -0.0001617600000000 ]  - [  -0.0006832600000000, -0.0000725300000000, -0.0001803100000000 ]  - [  -0.0007465800000000, -0.0000094200000000, -0.0001260400000000 ]  - [  -0.0007166900000000, -0.0000301300000000, -0.0001645400000000 ]  - [  -0.0007191100000000, -0.0000263800000000, -0.0001623100000000 ]  - [   0.0007194900000000, -0.0000324800000000,  0.0001239600000000 ]  - [   0.0006949700000000, -0.0000510000000000,  0.0001701900000000 ]  - [   0.0007129300000000, -0.0000282000000000,  0.0001658200000000 ]  - [   0.0007250500000000, -0.0000249700000000,  0.0001586200000000 ]  - [   0.0009091800000000, -0.0000216000000000,  0.0000418500000000 ]  - [  -0.0004833600000000, -0.0043833100000000,  0.0036363900000000 ]  - [   0.0007261700000000, -0.0000313600000000,  0.0001516200000000 ]  - [   0.0006785800000000,  0.0000166000000000,  0.0000859200000000 ]- atom:   33  displacement:    [  -0.0099983476490158,  0.0000000000000000, -0.0001817808829866 ]  forces:  - [   0.0000141100000000,  0.0016200200000000, -0.0000105300000000 ]  - [   0.0000438200000000,  0.0016777200000000, -0.0000113200000000 ]  - [   0.0005610700000000,  0.0014436300000000, -0.0000351300000000 ]  - [  -0.0001636300000000,  0.0016720400000000,  0.0003101500000000 ]  - [   0.0000024900000000,  0.0016541000000000,  0.0000087000000000 ]  - [   0.0000640600000000,  0.0015780200000000, -0.0000282000000000 ]  - [   0.0002630500000000,  0.0014595200000000,  0.0000482100000000 ]  - [  -0.0000537000000000,  0.0015633400000000,  0.0000170500000000 ]  - [   0.0005610700000000, -0.0014436300000000, -0.0000351300000000 ]  - [  -0.0001636300000000, -0.0016720400000000,  0.0003101500000000 ]  - [   0.0000141100000000, -0.0016200200000000, -0.0000105300000000 ]  - [   0.0000438200000000, -0.0016777200000000, -0.0000113200000000 ]  - [   0.0002630500000000, -0.0014595200000000,  0.0000482100000000 ]  - [  -0.0000537000000000, -0.0015633400000000,  0.0000170500000000 ]  - [   0.0000024900000000, -0.0016541000000000,  0.0000087000000000 ]  - [   0.0000640600000000, -0.0015780200000000, -0.0000282000000000 ]  - [  -0.0194838200000000,  0.0146997200000000, -0.0108571900000000 ]  - [  -0.0001084700000000,  0.0014412100000000, -0.0001132600000000 ]  - [  -0.0000947000000000,  0.0016049600000000, -0.0000947800000000 ]  - [   0.0000113700000000,  0.0016099700000000,  0.0000006700000000 ]  - [  -0.0002624400000000,  0.0015152300000000,  0.0000247300000000 ]  - [  -0.0000237000000000,  0.0016549400000000,  0.0000235600000000 ]  - [  -0.0000100700000000,  0.0016077200000000, -0.0000027700000000 ]  - [   0.0000183500000000,  0.0016118900000000,  0.0000046000000000 ]  - [  -0.0000947000000000, -0.0016049600000000, -0.0000947800000000 ]  - [   0.0000113700000000, -0.0016099700000000,  0.0000006700000000 ]  - [  -0.0194838200000000, -0.0146997200000000, -0.0108571900000000 ]  - [  -0.0001084700000000, -0.0014412100000000, -0.0001132600000000 ]  - [  -0.0000100700000000, -0.0016077200000000, -0.0000027700000000 ]  - [   0.0000183500000000, -0.0016118900000000,  0.0000046000000000 ]  - [  -0.0002624400000000, -0.0015152300000000,  0.0000247300000000 ]  - [  -0.0000237000000000, -0.0016549400000000,  0.0000235600000000 ]  - [   0.0422570600000000,  0.0000000000000000,  0.0301306600000000 ]  - [  -0.0005266200000000,  0.0000000000000000, -0.0006221100000000 ]  - [  -0.0004136800000000,  0.0000000000000000, -0.0005578500000000 ]  - [  -0.0004741600000000,  0.0000000000000000, -0.0006437800000000 ]  - [  -0.0005151500000000,  0.0000000000000000, -0.0006026700000000 ]  - [  -0.0004799400000000,  0.0000000000000000, -0.0006488200000000 ]  - [  -0.0004767900000000,  0.0000000000000000, -0.0006364200000000 ]  - [  -0.0004737400000000,  0.0000000000000000, -0.0006464800000000 ]  - [   0.0005221100000000,  0.0000000000000000,  0.0005000000000000 ]  - [   0.0003609900000000,  0.0000000000000000,  0.0007800800000000 ]  - [   0.0004667200000000,  0.0000000000000000,  0.0006281900000000 ]  - [   0.0004743300000000,  0.0000000000000000,  0.0006451700000000 ]  - [   0.0004699600000000,  0.0000000000000000,  0.0006379400000000 ]  - [  -0.0031184000000000,  0.0000000000000000, -0.0049462300000000 ]  - [   0.0004632900000000,  0.0000000000000000,  0.0006287500000000 ]  - [   0.0004949000000000,  0.0000000000000000,  0.0006777300000000 ]  - [   0.0007490600000000,  0.0000543900000000,  0.0001774300000000 ]  - [   0.0006780500000000,  0.0000251300000000,  0.0001456400000000 ]  - [   0.0007378400000000,  0.0000519800000000,  0.0001706700000000 ]  - [   0.0006896000000000,  0.0000134100000000,  0.0001523000000000 ]  - [   0.0024421700000000, -0.0024803300000000,  0.0016604900000000 ]  - [   0.0007306700000000,  0.0001771700000000,  0.0002526900000000 ]  - [   0.0007168100000000,  0.0000321100000000,  0.0001466000000000 ]  - [   0.0007301300000000,  0.0000733100000000,  0.0001717100000000 ]  - [  -0.0017183500000000, -0.0005282600000000, -0.0002187700000000 ]  - [  -0.0029944000000000,  0.0022956600000000, -0.0012991900000000 ]  - [  -0.0007166900000000,  0.0000205800000000, -0.0001432800000000 ]  - [  -0.0007104200000000,  0.0000428300000000, -0.0001654700000000 ]  - [  -0.0007182300000000,  0.0000415300000000, -0.0001307500000000 ]  - [  -0.0005540400000000,  0.0000503000000000, -0.0002118900000000 ]  - [  -0.0007347400000000,  0.0000477200000000, -0.0001613600000000 ]  - [  -0.0007127500000000,  0.0000437300000000, -0.0001601000000000 ]  - [  -0.0007166900000000, -0.0000205800000000, -0.0001432800000000 ]  - [  -0.0007104200000000, -0.0000428300000000, -0.0001654700000000 ]  - [  -0.0017183500000000,  0.0005282600000000, -0.0002187700000000 ]  - [  -0.0029944000000000, -0.0022956600000000, -0.0012991900000000 ]  - [  -0.0007347400000000, -0.0000477200000000, -0.0001613600000000 ]  - [  -0.0007127500000000, -0.0000437300000000, -0.0001601000000000 ]  - [  -0.0007182300000000, -0.0000415300000000, -0.0001307500000000 ]  - [  -0.0005540400000000, -0.0000503000000000, -0.0002118900000000 ]  - [   0.0007378400000000, -0.0000519800000000,  0.0001706700000000 ]  - [   0.0006896000000000, -0.0000134100000000,  0.0001523000000000 ]  - [   0.0007490600000000, -0.0000543900000000,  0.0001774300000000 ]  - [   0.0006780500000000, -0.0000251300000000,  0.0001456400000000 ]  - [   0.0007168100000000, -0.0000321100000000,  0.0001466000000000 ]  - [   0.0007301300000000, -0.0000733100000000,  0.0001717100000000 ]  - [   0.0024421700000000,  0.0024803300000000,  0.0016604900000000 ]  - [   0.0007306700000000, -0.0001771700000000,  0.0002526900000000 ]  - [  -0.0005497000000000, -0.0000605800000000, -0.0006709800000000 ]  - [  -0.0005484600000000, -0.0000736100000000, -0.0007525900000000 ]  - [  -0.0005497000000000,  0.0000605800000000, -0.0006709800000000 ]  - [  -0.0005484600000000,  0.0000736100000000, -0.0007525900000000 ]  - [  -0.0005343500000000, -0.0001150300000000, -0.0007135400000000 ]  - [  -0.0005341700000000,  0.0000573000000000, -0.0006878700000000 ]  - [  -0.0005343500000000,  0.0001150300000000, -0.0007135400000000 ]  - [  -0.0005341700000000, -0.0000573000000000, -0.0006878700000000 ]  - [   0.0004507100000000,  0.0000077900000000,  0.0006192300000000 ]  - [   0.0004953500000000, -0.0000337400000000,  0.0006726300000000 ]  - [   0.0004507100000000, -0.0000077900000000,  0.0006192300000000 ]  - [   0.0004953500000000,  0.0000337400000000,  0.0006726300000000 ]  - [   0.0004211300000000,  0.0000126400000000,  0.0006292100000000 ]  - [   0.0006542900000000, -0.0002531700000000,  0.0006762900000000 ]  - [   0.0004211300000000, -0.0000126400000000,  0.0006292100000000 ]  - [   0.0006542900000000,  0.0002531700000000,  0.0006762900000000 ]  - [   0.0007235600000000,  0.0000340000000000,  0.0001461800000000 ]  - [   0.0007123600000000,  0.0000372100000000,  0.0001527700000000 ]  - [   0.0007189700000000,  0.0000302800000000,  0.0001877500000000 ]  - [   0.0007444200000000,  0.0000114400000000,  0.0001404000000000 ]  - [   0.0007106000000000,  0.0000312900000000,  0.0001608500000000 ]  - [   0.0007581100000000,  0.0000781800000000,  0.0002263700000000 ]  - [   0.0005282500000000,  0.0000425900000000,  0.0002717200000000 ]  - [   0.0019307500000000, -0.0043504700000000, -0.0033392500000000 ]  - [  -0.0007025600000000,  0.0000132100000000, -0.0001387400000000 ]  - [  -0.0007344200000000,  0.0000303000000000, -0.0001507600000000 ]  - [  -0.0002152400000000,  0.0006157800000000,  0.0007080100000000 ]  - [  -0.0010501400000000, -0.0000259100000000,  0.0001398900000000 ]  - [  -0.0007207400000000,  0.0000320800000000, -0.0001475100000000 ]  - [  -0.0007191200000000,  0.0000359100000000, -0.0001493600000000 ]  - [  -0.0007560700000000, -0.0000092700000000, -0.0001306800000000 ]  - [  -0.0006914600000000,  0.0000511000000000, -0.0001833000000000 ]  - [  -0.0002152400000000, -0.0006157800000000,  0.0007080100000000 ]  - [  -0.0010501400000000,  0.0000259100000000,  0.0001398900000000 ]  - [  -0.0007025600000000, -0.0000132100000000, -0.0001387400000000 ]  - [  -0.0007344200000000, -0.0000303000000000, -0.0001507600000000 ]  - [  -0.0007560700000000,  0.0000092700000000, -0.0001306800000000 ]  - [  -0.0006914600000000, -0.0000511000000000, -0.0001833000000000 ]  - [  -0.0007207400000000, -0.0000320800000000, -0.0001475100000000 ]  - [  -0.0007191200000000, -0.0000359100000000, -0.0001493600000000 ]  - [   0.0007189700000000, -0.0000302800000000,  0.0001877500000000 ]  - [   0.0007444200000000, -0.0000114400000000,  0.0001404000000000 ]  - [   0.0007235600000000, -0.0000340000000000,  0.0001461800000000 ]  - [   0.0007123600000000, -0.0000372100000000,  0.0001527700000000 ]  - [   0.0005282500000000, -0.0000425900000000,  0.0002717200000000 ]  - [   0.0019307500000000,  0.0043504700000000, -0.0033392500000000 ]  - [   0.0007106000000000, -0.0000312900000000,  0.0001608500000000 ]  - [   0.0007581100000000, -0.0000781800000000,  0.0002263700000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000161500000000,  0.0015705200000000, -0.0000069900000000 ]  - [   0.0000147600000000,  0.0015447400000000, -0.0000138200000000 ]  - [  -0.0003429300000000,  0.0016541800000000,  0.0001251100000000 ]  - [   0.0002882500000000,  0.0017494500000000, -0.0001761400000000 ]  - [   0.0000057900000000,  0.0015820200000000,  0.0000130800000000 ]  - [   0.0001119800000000,  0.0014992100000000, -0.0000399700000000 ]  - [   0.0000948800000000,  0.0014797400000000, -0.0000123200000000 ]  - [  -0.0000010000000000,  0.0016292300000000, -0.0000873900000000 ]  - [   0.0003515000000000, -0.0015660000000000, -0.0001246500000000 ]  - [  -0.0002652200000000, -0.0014720100000000,  0.0001620700000000 ]  - [  -0.0000156500000000, -0.0016507200000000,  0.0000072300000000 ]  - [  -0.0000150900000000, -0.0016756900000000,  0.0000125900000000 ]  - [  -0.0000968400000000, -0.0017446000000000,  0.0000141000000000 ]  - [   0.0000009700000000, -0.0015908600000000,  0.0000883100000000 ]  - [  -0.0000053900000000, -0.0016381900000000, -0.0000131700000000 ]  - [  -0.0001117400000000, -0.0017194200000000,  0.0000399900000000 ]  - [  -0.0139713800000000,  0.0376101800000000, -0.0221593500000000 ]  - [   0.0001462800000000,  0.0020384200000000,  0.0001498800000000 ]  - [   0.0001210000000000,  0.0015256300000000,  0.0000911100000000 ]  - [  -0.0000313200000000,  0.0015298000000000, -0.0000006200000000 ]  - [   0.0000135900000000,  0.0017336700000000, -0.0000560200000000 ]  - [   0.0000554900000000,  0.0018805600000000,  0.0000087500000000 ]  - [   0.0000178500000000,  0.0015433300000000,  0.0000043800000000 ]  - [  -0.0000293000000000,  0.0015338100000000, -0.0000077000000000 ]  - [  -0.0001215500000000, -0.0016959800000000, -0.0000917200000000 ]  - [   0.0000314000000000, -0.0016905700000000,  0.0000005700000000 ]  - [   0.0133412300000000,  0.0330322200000000,  0.0211085800000000 ]  - [  -0.0001447200000000, -0.0011882400000000, -0.0001437200000000 ]  - [  -0.0000181900000000, -0.0016770800000000, -0.0000044900000000 ]  - [   0.0000294100000000, -0.0016866500000000,  0.0000077900000000 ]  - [  -0.0000122600000000, -0.0014868000000000,  0.0000555500000000 ]  - [  -0.0000544900000000, -0.0013420000000000, -0.0000086500000000 ]  - [   0.0002419000000000, -0.0868257600000000,  0.0004929500000000 ]  - [  -0.0004715100000000,  0.0000375400000000, -0.0006389000000000 ]  - [  -0.0004707000000000,  0.0001433300000000, -0.0006375300000000 ]  - [  -0.0004707900000000,  0.0000350400000000, -0.0006378700000000 ]  - [  -0.0004706100000000, -0.0000650100000000, -0.0006379000000000 ]  - [  -0.0004708800000000, -0.0000579200000000, -0.0006379300000000 ]  - [  -0.0004706800000000,  0.0000513500000000, -0.0006377100000000 ]  - [  -0.0004707600000000,  0.0000291300000000, -0.0006378000000000 ]  - [   0.0004698000000000, -0.0002290500000000,  0.0006363900000000 ]  - [   0.0004704900000000, -0.0001960100000000,  0.0006378400000000 ]  - [   0.0004704700000000,  0.0000681900000000,  0.0006375500000000 ]  - [   0.0004705500000000,  0.0000344500000000,  0.0006377100000000 ]  - [   0.0004694200000000, -0.0004005400000000,  0.0006363300000000 ]  - [   0.0004890400000000, -0.0025412100000000,  0.0006664600000000 ]  - [   0.0004705700000000,  0.0000680100000000,  0.0006376000000000 ]  - [   0.0004707200000000, -0.0000020100000000,  0.0006379100000000 ]  - [   0.0007460000000000,  0.0002338100000000,  0.0003869500000000 ]  - [   0.0006554100000000,  0.0000348300000000,  0.0001570400000000 ]  - [   0.0007196900000000,  0.0000361700000000,  0.0001826500000000 ]  - [   0.0007745000000000,  0.0000665000000000,  0.0001851000000000 ]  - [   0.0020903700000000,  0.0004874100000000, -0.0014256500000000 ]  - [   0.0008790800000000,  0.0002329000000000,  0.0001512300000000 ]  - [   0.0007120600000000,  0.0000255100000000,  0.0001984100000000 ]  - [   0.0007423000000000,  0.0000115700000000,  0.0001801600000000 ]  - [  -0.0000052500000000,  0.0003396500000000, -0.0002919000000000 ]  - [  -0.0030086700000000,  0.0012193700000000, -0.0000889400000000 ]  - [  -0.0007098000000000,  0.0000369300000000, -0.0001964400000000 ]  - [  -0.0007739400000000,  0.0000508100000000, -0.0001917200000000 ]  - [  -0.0007367800000000,  0.0000616400000000, -0.0001408900000000 ]  - [  -0.0007502200000000,  0.0001035100000000, -0.0000813800000000 ]  - [  -0.0007100800000000,  0.0000238000000000, -0.0001757900000000 ]  - [  -0.0007409500000000,  0.0000223200000000, -0.0001778700000000 ]  - [  -0.0007285000000000, -0.0000257400000000, -0.0001132600000000 ]  - [  -0.0006636100000000, -0.0000114800000000, -0.0001176500000000 ]  - [  -0.0014185200000000,  0.0002776400000000, -0.0000231700000000 ]  - [   0.0015362700000000,  0.0011676800000000, -0.0001968400000000 ]  - [  -0.0007280400000000, -0.0000386000000000, -0.0001336000000000 ]  - [  -0.0006968000000000, -0.0000399200000000, -0.0001313700000000 ]  - [  -0.0007017600000000, -0.0000010400000000, -0.0001686500000000 ]  - [  -0.0006895800000000,  0.0000400800000000, -0.0002268100000000 ]  - [   0.0007177500000000, -0.0000258000000000,  0.0001262700000000 ]  - [   0.0006627200000000,  0.0000044900000000,  0.0001238400000000 ]  - [   0.0006893700000000,  0.0001683600000000, -0.0000739500000000 ]  - [   0.0007818300000000, -0.0000275900000000,  0.0001525900000000 ]  - [   0.0007259200000000, -0.0000370700000000,  0.0001109000000000 ]  - [   0.0006950500000000, -0.0000513600000000,  0.0001294400000000 ]  - [  -0.0006412400000000,  0.0004388800000000,  0.0017267700000000 ]  - [   0.0005610900000000,  0.0001699300000000,  0.0001560000000000 ]  - [  -0.0005432300000000, -0.0000273200000000, -0.0006548100000000 ]  - [  -0.0005281700000000, -0.0000272400000000, -0.0007817900000000 ]  - [  -0.0003972000000000, -0.0000271300000000, -0.0006201900000000 ]  - [  -0.0004133200000000, -0.0000271900000000, -0.0004936400000000 ]  - [  -0.0004133600000000,  0.0001281400000000, -0.0005666400000000 ]  - [  -0.0005827400000000,  0.0001263900000000, -0.0007648500000000 ]  - [  -0.0005264200000000,  0.0001247200000000, -0.0007067900000000 ]  - [  -0.0003597100000000,  0.0001264100000000, -0.0005110800000000 ]  - [   0.0004619500000000,  0.0000124700000000,  0.0006501200000000 ]  - [   0.0005035900000000,  0.0000353000000000,  0.0006626900000000 ]  - [   0.0004784600000000,  0.0000124700000000,  0.0006251100000000 ]  - [   0.0004376200000000,  0.0000348400000000,  0.0006125500000000 ]  - [   0.0004567100000000,  0.0000247900000000,  0.0006578800000000 ]  - [   0.0007203600000000, -0.0003553800000000,  0.0009300800000000 ]  - [   0.0004843500000000,  0.0000237500000000,  0.0006154100000000 ]  - [   0.0002186600000000, -0.0003562400000000,  0.0003474100000000 ]  - [   0.0007363500000000,  0.0000435500000000,  0.0001797600000000 ]  - [   0.0007276800000000,  0.0000506400000000,  0.0001790300000000 ]  - [   0.0006579100000000, -0.0000117900000000,  0.0000993900000000 ]  - [   0.0006847300000000, -0.0000029000000000,  0.0001380200000000 ]  - [   0.0007270800000000,  0.0000474700000000,  0.0001916500000000 ]  - [   0.0007946300000000,  0.0001028300000000,  0.0002743300000000 ]  - [   0.0008573700000000, -0.0000206200000000,  0.0000405800000000 ]  - [   0.0038618400000000,  0.0032883900000000,  0.0056696400000000 ]  - [  -0.0007277200000000,  0.0000181400000000, -0.0001668900000000 ]  - [  -0.0007460300000000,  0.0000408700000000, -0.0001973700000000 ]  - [  -0.0013240300000000,  0.0038977700000000, -0.0007793600000000 ]  - [   0.0000958200000000, -0.0001369800000000, -0.0006260700000000 ]  - [  -0.0007281000000000,  0.0000409900000000, -0.0001816000000000 ]  - [  -0.0007343700000000,  0.0000479000000000, -0.0001791400000000 ]  - [  -0.0006864200000000,  0.0000127600000000, -0.0001233300000000 ]  - [  -0.0006724500000000, -0.0001414200000000, -0.0000494700000000 ]  - [  -0.0001231400000000,  0.0039458800000000,  0.0004491700000000 ]  - [  -0.0015424200000000, -0.0002012500000000,  0.0003217400000000 ]  - [  -0.0007103000000000, -0.0000441900000000, -0.0001420600000000 ]  - [  -0.0006919200000000, -0.0000215600000000, -0.0001120500000000 ]  - [  -0.0007511400000000, -0.0000493500000000, -0.0001869000000000 ]  - [  -0.0007653700000000, -0.0002055600000000, -0.0002603400000000 ]  - [  -0.0007098100000000, -0.0000213100000000, -0.0001279500000000 ]  - [  -0.0007035900000000, -0.0000144700000000, -0.0001303900000000 ]  - [   0.0007797200000000, -0.0000734000000000,  0.0002089300000000 ]  - [   0.0007527800000000, -0.0000654300000000,  0.0001712900000000 ]  - [   0.0007012000000000, -0.0000187400000000,  0.0001296500000000 ]  - [   0.0007099800000000, -0.0000117800000000,  0.0001302100000000 ]  - [   0.0005760700000000, -0.0000822300000000,  0.0002712000000000 ]  - [  -0.0025131200000000,  0.0032742500000000, -0.0054546300000000 ]  - [   0.0007105800000000, -0.0000152500000000,  0.0001174000000000 ]  - [   0.0006425400000000,  0.0000414300000000,  0.0000351200000000 ]- atom:   33  displacement:    [  -0.0031358584632606,  0.0000000000000000,  0.0094955985434514 ]  forces:  - [  -0.0000057800000000,  0.0015590600000000,  0.0000214900000000 ]  - [  -0.0000259400000000,  0.0016800000000000,  0.0000367700000000 ]  - [  -0.0002455800000000,  0.0020922900000000,  0.0001736000000000 ]  - [  -0.0000080000000000,  0.0020438400000000,  0.0004765300000000 ]  - [  -0.0000017900000000,  0.0015788500000000, -0.0000013300000000 ]  - [  -0.0000543400000000,  0.0016406900000000,  0.0000212100000000 ]  - [  -0.0000660700000000,  0.0016730100000000, -0.0000044000000000 ]  - [  -0.0000095200000000,  0.0016666100000000, -0.0000055200000000 ]  - [  -0.0002455800000000, -0.0020922900000000,  0.0001736000000000 ]  - [  -0.0000080000000000, -0.0020438400000000,  0.0004765300000000 ]  - [  -0.0000057800000000, -0.0015590600000000,  0.0000214900000000 ]  - [  -0.0000259400000000, -0.0016800000000000,  0.0000367700000000 ]  - [  -0.0000660700000000, -0.0016730100000000, -0.0000044000000000 ]  - [  -0.0000095200000000, -0.0016666100000000, -0.0000055200000000 ]  - [  -0.0000017900000000, -0.0015788500000000, -0.0000013300000000 ]  - [  -0.0000543400000000, -0.0016406900000000,  0.0000212100000000 ]  - [   0.0021044800000000, -0.0101194300000000,  0.0230109800000000 ]  - [  -0.0002826900000000,  0.0017803700000000,  0.0001861600000000 ]  - [   0.0001216700000000,  0.0016182700000000,  0.0001068600000000 ]  - [  -0.0000309400000000,  0.0016066900000000, -0.0000087500000000 ]  - [   0.0000426900000000,  0.0015976400000000,  0.0000527200000000 ]  - [  -0.0000772700000000,  0.0015099200000000,  0.0000149100000000 ]  - [   0.0000182100000000,  0.0016102200000000,  0.0000062500000000 ]  - [  -0.0000209900000000,  0.0016101500000000, -0.0000073900000000 ]  - [   0.0001216700000000, -0.0016182700000000,  0.0001068600000000 ]  - [  -0.0000309400000000, -0.0016066900000000, -0.0000087500000000 ]  - [   0.0021044800000000,  0.0101194300000000,  0.0230109800000000 ]  - [  -0.0002826900000000, -0.0017803700000000,  0.0001861600000000 ]  - [   0.0000182100000000, -0.0016102200000000,  0.0000062500000000 ]  - [  -0.0000209900000000, -0.0016101500000000, -0.0000073900000000 ]  - [   0.0000426900000000, -0.0015976400000000,  0.0000527200000000 ]  - [  -0.0000772700000000, -0.0015099200000000,  0.0000149100000000 ]  - [  -0.0147733400000000,  0.0000000000000000, -0.0536077900000000 ]  - [  -0.0005032800000000,  0.0000000000000000, -0.0005710500000000 ]  - [  -0.0005270200000000,  0.0000000000000000, -0.0007332800000000 ]  - [  -0.0004665300000000,  0.0000000000000000, -0.0006228800000000 ]  - [  -0.0005171900000000,  0.0000000000000000, -0.0006542500000000 ]  - [  -0.0004634500000000,  0.0000000000000000, -0.0006270700000000 ]  - [  -0.0004740000000000,  0.0000000000000000, -0.0006456900000000 ]  - [  -0.0004638300000000,  0.0000000000000000, -0.0006264300000000 ]  - [   0.0006204600000000,  0.0000000000000000,  0.0006341500000000 ]  - [   0.0003001700000000,  0.0000000000000000,  0.0006588400000000 ]  - [   0.0004785100000000,  0.0000000000000000,  0.0006508500000000 ]  - [   0.0004652800000000,  0.0000000000000000,  0.0006294100000000 ]  - [   0.0004669500000000,  0.0000000000000000,  0.0008003700000000 ]  - [   0.0044854600000000,  0.0000000000000000,  0.0064057600000000 ]  - [   0.0004767400000000,  0.0000000000000000,  0.0006588500000000 ]  - [   0.0004413700000000,  0.0000000000000000,  0.0005810500000000 ]  - [   0.0007382300000000,  0.0003942200000000,  0.0005228600000000 ]  - [   0.0007509500000000,  0.0000409700000000,  0.0001516400000000 ]  - [   0.0007073100000000,  0.0000232900000000,  0.0001505600000000 ]  - [   0.0007403600000000,  0.0000442000000000,  0.0001545900000000 ]  - [   0.0005554500000000, -0.0026291100000000,  0.0033247100000000 ]  - [   0.0008633400000000, -0.0000511300000000,  0.0000537700000000 ]  - [   0.0006868500000000, -0.0000074900000000,  0.0001336600000000 ]  - [   0.0007316800000000,  0.0000301300000000,  0.0001532500000000 ]  - [  -0.0008708000000000, -0.0002732400000000, -0.0006195000000000 ]  - [  -0.0003757800000000,  0.0010755500000000, -0.0019553800000000 ]  - [  -0.0006923500000000,  0.0000132900000000, -0.0001441000000000 ]  - [  -0.0007453700000000,  0.0000326700000000, -0.0001431500000000 ]  - [  -0.0007141000000000,  0.0000151700000000, -0.0001623600000000 ]  - [  -0.0007614200000000,  0.0000286400000000, -0.0001416100000000 ]  - [  -0.0007057400000000,  0.0000201500000000, -0.0001556600000000 ]  - [  -0.0007251500000000,  0.0000229900000000, -0.0001535200000000 ]  - [  -0.0006923500000000, -0.0000132900000000, -0.0001441000000000 ]  - [  -0.0007453700000000, -0.0000326700000000, -0.0001431500000000 ]  - [  -0.0008708000000000,  0.0002732400000000, -0.0006195000000000 ]  - [  -0.0003757800000000, -0.0010755500000000, -0.0019553800000000 ]  - [  -0.0007057400000000, -0.0000201500000000, -0.0001556600000000 ]  - [  -0.0007251500000000, -0.0000229900000000, -0.0001535200000000 ]  - [  -0.0007141000000000, -0.0000151700000000, -0.0001623600000000 ]  - [  -0.0007614200000000, -0.0000286400000000, -0.0001416100000000 ]  - [   0.0007073100000000, -0.0000232900000000,  0.0001505600000000 ]  - [   0.0007403600000000, -0.0000442000000000,  0.0001545900000000 ]  - [   0.0007382300000000, -0.0003942200000000,  0.0005228600000000 ]  - [   0.0007509500000000, -0.0000409700000000,  0.0001516400000000 ]  - [   0.0006868500000000,  0.0000074900000000,  0.0001336600000000 ]  - [   0.0007316800000000, -0.0000301300000000,  0.0001532500000000 ]  - [   0.0005554500000000,  0.0026291100000000,  0.0033247100000000 ]  - [   0.0008633400000000,  0.0000511300000000,  0.0000537700000000 ]  - [  -0.0003890700000000,  0.0001174100000000, -0.0005483600000000 ]  - [  -0.0004649400000000, -0.0000061900000000, -0.0005728200000000 ]  - [  -0.0003890700000000, -0.0001174100000000, -0.0005483600000000 ]  - [  -0.0004649400000000,  0.0000061900000000, -0.0005728200000000 ]  - [  -0.0004432000000000,  0.0000865600000000, -0.0005853600000000 ]  - [  -0.0004200600000000, -0.0000493300000000, -0.0005782000000000 ]  - [  -0.0004432000000000, -0.0000865600000000, -0.0005853600000000 ]  - [  -0.0004200600000000,  0.0000493300000000, -0.0005782000000000 ]  - [   0.0004821900000000,  0.0000142500000000,  0.0006324300000000 ]  - [   0.0004457300000000,  0.0000130800000000,  0.0006160100000000 ]  - [   0.0004821900000000, -0.0000142500000000,  0.0006324300000000 ]  - [   0.0004457300000000, -0.0000130800000000,  0.0006160100000000 ]  - [   0.0004648900000000,  0.0000247400000000,  0.0005642000000000 ]  - [   0.0004923700000000,  0.0002017100000000,  0.0003186300000000 ]  - [   0.0004648900000000, -0.0000247400000000,  0.0005642000000000 ]  - [   0.0004923700000000, -0.0002017100000000,  0.0003186300000000 ]  - [   0.0007188600000000,  0.0000319000000000,  0.0001555200000000 ]  - [   0.0007222600000000,  0.0000258100000000,  0.0001553200000000 ]  - [   0.0007150000000000,  0.0000364100000000,  0.0001203200000000 ]  - [   0.0007187700000000,  0.0000224000000000,  0.0001480900000000 ]  - [   0.0007155600000000,  0.0000302200000000,  0.0001614500000000 ]  - [   0.0006668800000000, -0.0000249200000000,  0.0000815400000000 ]  - [   0.0008041800000000,  0.0000493700000000,  0.0001503700000000 ]  - [   0.0039779100000000,  0.0043375600000000,  0.0003811100000000 ]  - [  -0.0007270100000000,  0.0000493900000000, -0.0001816300000000 ]  - [  -0.0007080900000000,  0.0000334000000000, -0.0001577200000000 ]  - [  -0.0011690000000000, -0.0006341900000000, -0.0014551500000000 ]  - [  -0.0002027400000000,  0.0000259400000000, -0.0005182200000000 ]  - [  -0.0007228000000000,  0.0000341000000000, -0.0001537900000000 ]  - [  -0.0007202300000000,  0.0000294600000000, -0.0001611400000000 ]  - [  -0.0006941900000000,  0.0000379300000000, -0.0001548600000000 ]  - [  -0.0006779900000000, -0.0000253100000000, -0.0001330000000000 ]  - [  -0.0011690000000000,  0.0006341900000000, -0.0014551500000000 ]  - [  -0.0002027400000000, -0.0000259400000000, -0.0005182200000000 ]  - [  -0.0007270100000000, -0.0000493900000000, -0.0001816300000000 ]  - [  -0.0007080900000000, -0.0000334000000000, -0.0001577200000000 ]  - [  -0.0006941900000000, -0.0000379300000000, -0.0001548600000000 ]  - [  -0.0006779900000000,  0.0000253100000000, -0.0001330000000000 ]  - [  -0.0007228000000000, -0.0000341000000000, -0.0001537900000000 ]  - [  -0.0007202300000000, -0.0000294600000000, -0.0001611400000000 ]  - [   0.0007150000000000, -0.0000364100000000,  0.0001203200000000 ]  - [   0.0007187700000000, -0.0000224000000000,  0.0001480900000000 ]  - [   0.0007188600000000, -0.0000319000000000,  0.0001555200000000 ]  - [   0.0007222600000000, -0.0000258100000000,  0.0001553200000000 ]  - [   0.0008041800000000, -0.0000493700000000,  0.0001503700000000 ]  - [   0.0039779100000000, -0.0043375600000000,  0.0003811100000000 ]  - [   0.0007155600000000, -0.0000302200000000,  0.0001614500000000 ]  - [   0.0006668800000000,  0.0000249200000000,  0.0000815400000000 ]- atom:   33  displacement:    [   0.0031358584632606,  0.0000000000000000, -0.0094955985434514 ]  forces:  - [   0.0000056800000000,  0.0016623300000000, -0.0000213300000000 ]  - [   0.0000255000000000,  0.0015392600000000, -0.0000372400000000 ]  - [   0.0002458800000000,  0.0011206100000000, -0.0001706500000000 ]  - [   0.0000151000000000,  0.0011805000000000, -0.0004730500000000 ]  - [   0.0000015600000000,  0.0016409600000000,  0.0000014000000000 ]  - [   0.0000536900000000,  0.0015801400000000, -0.0000208700000000 ]  - [   0.0000644200000000,  0.0015501900000000,  0.0000035200000000 ]  - [   0.0000089200000000,  0.0015539700000000,  0.0000051100000000 ]  - [   0.0002458800000000, -0.0011206100000000, -0.0001706500000000 ]  - [   0.0000151000000000, -0.0011805000000000, -0.0004730500000000 ]  - [   0.0000056800000000, -0.0016623300000000, -0.0000213300000000 ]  - [   0.0000255000000000, -0.0015392600000000, -0.0000372400000000 ]  - [   0.0000644200000000, -0.0015501900000000,  0.0000035200000000 ]  - [   0.0000089200000000, -0.0015539700000000,  0.0000051100000000 ]  - [   0.0000015600000000, -0.0016409600000000,  0.0000014000000000 ]  - [   0.0000536900000000, -0.0015801400000000, -0.0000208700000000 ]  - [  -0.0023331900000000,  0.0136613900000000, -0.0232947100000000 ]  - [   0.0002809000000000,  0.0014385100000000, -0.0001866500000000 ]  - [  -0.0001216900000000,  0.0016026500000000, -0.0001067300000000 ]  - [   0.0000310400000000,  0.0016142100000000,  0.0000087300000000 ]  - [  -0.0000405100000000,  0.0016234400000000, -0.0000535300000000 ]  - [   0.0000763700000000,  0.0017061300000000, -0.0000156200000000 ]  - [  -0.0000182700000000,  0.0016103200000000, -0.0000062400000000 ]  - [   0.0000209800000000,  0.0016103400000000,  0.0000074600000000 ]  - [  -0.0001216900000000, -0.0016026500000000, -0.0001067300000000 ]  - [   0.0000310400000000, -0.0016142100000000,  0.0000087300000000 ]  - [  -0.0023331900000000, -0.0136613900000000, -0.0232947100000000 ]  - [   0.0002809000000000, -0.0014385100000000, -0.0001866500000000 ]  - [  -0.0000182700000000, -0.0016103200000000, -0.0000062400000000 ]  - [   0.0000209800000000, -0.0016103400000000,  0.0000074600000000 ]  - [  -0.0000405100000000, -0.0016234400000000, -0.0000535300000000 ]  - [   0.0000763700000000, -0.0017061300000000, -0.0000156200000000 ]  - [   0.0144109200000000,  0.0000000000000000,  0.0530054000000000 ]  - [  -0.0004373400000000,  0.0000000000000000, -0.0007049400000000 ]  - [  -0.0004142900000000,  0.0000000000000000, -0.0005423300000000 ]  - [  -0.0004747200000000,  0.0000000000000000, -0.0006528800000000 ]  - [  -0.0004228800000000,  0.0000000000000000, -0.0006216900000000 ]  - [  -0.0004780100000000,  0.0000000000000000, -0.0006489700000000 ]  - [  -0.0004674800000000,  0.0000000000000000, -0.0006303800000000 ]  - [  -0.0004777500000000,  0.0000000000000000, -0.0006497100000000 ]  - [   0.0003215700000000,  0.0000000000000000,  0.0006424600000000 ]  - [   0.0006394000000000,  0.0000000000000000,  0.0006163400000000 ]  - [   0.0004628500000000,  0.0000000000000000,  0.0006252800000000 ]  - [   0.0004761800000000,  0.0000000000000000,  0.0006467800000000 ]  - [   0.0004735000000000,  0.0000000000000000,  0.0004744600000000 ]  - [  -0.0036064600000000,  0.0000000000000000, -0.0051868600000000 ]  - [   0.0004644800000000,  0.0000000000000000,  0.0006169000000000 ]  - [   0.0004997000000000,  0.0000000000000000,  0.0006945400000000 ]  - [   0.0006986800000000, -0.0003198100000000, -0.0002006900000000 ]  - [   0.0006868600000000,  0.0000217800000000,  0.0001584000000000 ]  - [   0.0007298700000000,  0.0000386200000000,  0.0001589700000000 ]  - [   0.0006971300000000,  0.0000180000000000,  0.0001551400000000 ]  - [   0.0008895300000000,  0.0027780700000000, -0.0030948100000000 ]  - [   0.0005729400000000,  0.0001116600000000,  0.0002551200000000 ]  - [   0.0007515000000000,  0.0000707300000000,  0.0001767100000000 ]  - [   0.0007059400000000,  0.0000320700000000,  0.0001565800000000 ]  - [  -0.0005745600000000,  0.0003307700000000,  0.0003162500000000 ]  - [  -0.0010659700000000, -0.0010257600000000,  0.0016594900000000 ]  - [  -0.0007459200000000,  0.0000496000000000, -0.0001658800000000 ]  - [  -0.0006921000000000,  0.0000294400000000, -0.0001662900000000 ]  - [  -0.0007242400000000,  0.0000470100000000, -0.0001481900000000 ]  - [  -0.0006790400000000,  0.0000342100000000, -0.0001670800000000 ]  - [  -0.0007314700000000,  0.0000417200000000, -0.0001539800000000 ]  - [  -0.0007123900000000,  0.0000390800000000, -0.0001561300000000 ]  - [  -0.0007459200000000, -0.0000496000000000, -0.0001658800000000 ]  - [  -0.0006921000000000, -0.0000294400000000, -0.0001662900000000 ]  - [  -0.0005745600000000, -0.0003307700000000,  0.0003162500000000 ]  - [  -0.0010659700000000,  0.0010257600000000,  0.0016594900000000 ]  - [  -0.0007314700000000, -0.0000417200000000, -0.0001539800000000 ]  - [  -0.0007123900000000, -0.0000390800000000, -0.0001561300000000 ]  - [  -0.0007242400000000, -0.0000470100000000, -0.0001481900000000 ]  - [  -0.0006790400000000, -0.0000342100000000, -0.0001670800000000 ]  - [   0.0007298700000000, -0.0000386200000000,  0.0001589700000000 ]  - [   0.0006971300000000, -0.0000180000000000,  0.0001551400000000 ]  - [   0.0006986800000000,  0.0003198100000000, -0.0002006900000000 ]  - [   0.0006868600000000, -0.0000217800000000,  0.0001584000000000 ]  - [   0.0007515000000000, -0.0000707300000000,  0.0001767100000000 ]  - [   0.0007059400000000, -0.0000320700000000,  0.0001565800000000 ]  - [   0.0008895300000000, -0.0027780700000000, -0.0030948100000000 ]  - [   0.0005729400000000, -0.0001116600000000,  0.0002551200000000 ]  - [  -0.0005541500000000, -0.0001202800000000, -0.0007296400000000 ]  - [  -0.0004757700000000,  0.0000067400000000, -0.0007031000000000 ]  - [  -0.0005541500000000,  0.0001202800000000, -0.0007296400000000 ]  - [  -0.0004757700000000, -0.0000067400000000, -0.0007031000000000 ]  - [  -0.0004970800000000, -0.0000845500000000, -0.0006887500000000 ]  - [  -0.0005208200000000,  0.0000483700000000, -0.0006970600000000 ]  - [  -0.0004970800000000,  0.0000845500000000, -0.0006887500000000 ]  - [  -0.0005208200000000, -0.0000483700000000, -0.0006970600000000 ]  - [   0.0004590500000000, -0.0000146600000000,  0.0006430100000000 ]  - [   0.0004954100000000, -0.0000138300000000,  0.0006600100000000 ]  - [   0.0004590500000000,  0.0000146600000000,  0.0006430100000000 ]  - [   0.0004954100000000,  0.0000138300000000,  0.0006600100000000 ]  - [   0.0004763800000000, -0.0000242800000000,  0.0007112900000000 ]  - [   0.0004450000000000, -0.0001943900000000,  0.0009536700000000 ]  - [   0.0004763800000000,  0.0000242800000000,  0.0007112900000000 ]  - [   0.0004450000000000,  0.0001943900000000,  0.0009536700000000 ]  - [   0.0007193200000000,  0.0000305100000000,  0.0001543800000000 ]  - [   0.0007160400000000,  0.0000366000000000,  0.0001544600000000 ]  - [   0.0007222200000000,  0.0000262900000000,  0.0001896300000000 ]  - [   0.0007192800000000,  0.0000402200000000,  0.0001615800000000 ]  - [   0.0007222200000000,  0.0000320600000000,  0.0001481700000000 ]  - [   0.0007703700000000,  0.0000865500000000,  0.0002284900000000 ]  - [   0.0006357500000000,  0.0000129000000000,  0.0001574300000000 ]  - [  -0.0025653200000000, -0.0043012900000000, -0.0000506400000000 ]  - [  -0.0007109800000000,  0.0000128300000000, -0.0001281800000000 ]  - [  -0.0007295800000000,  0.0000289900000000, -0.0001520500000000 ]  - [  -0.0002669900000000,  0.0007052400000000,  0.0011490200000000 ]  - [  -0.0012339700000000,  0.0000376700000000,  0.0002074800000000 ]  - [  -0.0007154200000000,  0.0000282700000000, -0.0001560000000000 ]  - [  -0.0007180900000000,  0.0000329800000000, -0.0001487000000000 ]  - [  -0.0007428700000000,  0.0000243400000000, -0.0001551600000000 ]  - [  -0.0007579600000000,  0.0000846900000000, -0.0001747700000000 ]  - [  -0.0002669900000000, -0.0007052400000000,  0.0011490200000000 ]  - [  -0.0012339700000000, -0.0000376700000000,  0.0002074800000000 ]  - [  -0.0007109800000000, -0.0000128300000000, -0.0001281800000000 ]  - [  -0.0007295800000000, -0.0000289900000000, -0.0001520500000000 ]  - [  -0.0007428700000000, -0.0000243400000000, -0.0001551600000000 ]  - [  -0.0007579600000000, -0.0000846900000000, -0.0001747700000000 ]  - [  -0.0007154200000000, -0.0000282700000000, -0.0001560000000000 ]  - [  -0.0007180900000000, -0.0000329800000000, -0.0001487000000000 ]  - [   0.0007222200000000, -0.0000262900000000,  0.0001896300000000 ]  - [   0.0007192800000000, -0.0000402200000000,  0.0001615800000000 ]  - [   0.0007193200000000, -0.0000305100000000,  0.0001543800000000 ]  - [   0.0007160400000000, -0.0000366000000000,  0.0001544600000000 ]  - [   0.0006357500000000, -0.0000129000000000,  0.0001574300000000 ]  - [  -0.0025653200000000,  0.0043012900000000, -0.0000506400000000 ]  - [   0.0007222200000000, -0.0000320600000000,  0.0001481700000000 ]  - [   0.0007703700000000, -0.0000865500000000,  0.0002284900000000 ]- atom:   49  displacement:    [   0.0099983476490158,  0.0000000000000000,  0.0001817808829866 ]  forces:  - [   0.0000555000000000,  0.0016632400000000, -0.0000214200000000 ]  - [   0.0000070700000000,  0.0016319100000000, -0.0000104300000000 ]  - [   0.0000046300000000,  0.0015932400000000,  0.0000068000000000 ]  - [  -0.0000037600000000,  0.0015805400000000,  0.0000101000000000 ]  - [   0.0000711800000000,  0.0018420600000000,  0.0000758500000000 ]  - [  -0.0000205400000000,  0.0018281400000000, -0.0000337600000000 ]  - [   0.0001151100000000,  0.0016145100000000,  0.0001398300000000 ]  - [  -0.0000326500000000,  0.0016161700000000, -0.0000252100000000 ]  - [  -0.0003920600000000, -0.0012573000000000, -0.0002347900000000 ]  - [  -0.0000911700000000, -0.0015862300000000, -0.0000333800000000 ]  - [  -0.0000043200000000, -0.0016320700000000,  0.0000012000000000 ]  - [   0.0000005700000000, -0.0016360900000000, -0.0000016500000000 ]  - [   0.0197356900000000,  0.0129675200000000,  0.0141464200000000 ]  - [   0.0002130900000000, -0.0018060200000000,  0.0003218200000000 ]  - [  -0.0000064800000000, -0.0016470500000000, -0.0000024300000000 ]  - [   0.0000016700000000, -0.0016383200000000, -0.0000025000000000 ]  - [   0.0000538500000000,  0.0017758900000000,  0.0002428800000000 ]  - [  -0.0000984200000000,  0.0016762600000000, -0.0000185300000000 ]  - [   0.0000106100000000,  0.0015891600000000, -0.0000009100000000 ]  - [  -0.0000065900000000,  0.0015842700000000,  0.0000009000000000 ]  - [   0.0431288600000000,  0.0008221300000000, -0.0224813200000000 ]  - [  -0.0000643200000000,  0.0016170200000000,  0.0000723800000000 ]  - [   0.0000001200000000,  0.0015722900000000,  0.0000078200000000 ]  - [   0.0000006700000000,  0.0015810500000000, -0.0000002400000000 ]  - [   0.0000415200000000, -0.0016137100000000,  0.0000243300000000 ]  - [  -0.0001047100000000, -0.0016626500000000, -0.0000226400000000 ]  - [   0.0001549900000000, -0.0017229500000000,  0.0000189500000000 ]  - [   0.0000064100000000, -0.0016003200000000,  0.0000000500000000 ]  - [   0.0001222400000000, -0.0016562700000000,  0.0000743600000000 ]  - [  -0.0000777700000000, -0.0016066400000000, -0.0000071800000000 ]  - [  -0.0001717000000000, -0.0010821800000000, -0.0001627400000000 ]  - [   0.0004120900000000, -0.0016840400000000, -0.0003855400000000 ]  - [  -0.0005017000000000,  0.0000332300000000, -0.0006194000000000 ]  - [  -0.0004307400000000, -0.0000632200000000, -0.0005909000000000 ]  - [  -0.0004902800000000,  0.0000018100000000, -0.0006564800000000 ]  - [  -0.0004425800000000,  0.0000572500000000, -0.0006058100000000 ]  - [  -0.0021804400000000,  0.0013346600000000, -0.0013321200000000 ]  - [  -0.0004865400000000,  0.0001605500000000, -0.0004927900000000 ]  - [  -0.0004683800000000, -0.0000061300000000, -0.0006717700000000 ]  - [  -0.0004828400000000,  0.0000245000000000, -0.0006283600000000 ]  - [   0.0014978000000000, -0.0007183100000000,  0.0008115000000000 ]  - [   0.0026829800000000,  0.0022481700000000,  0.0017090700000000 ]  - [   0.0004673200000000, -0.0000089500000000,  0.0006653300000000 ]  - [   0.0004624700000000,  0.0000560000000000,  0.0006072000000000 ]  - [   0.0004691700000000,  0.0000174200000000,  0.0006426300000000 ]  - [   0.0003077800000000,  0.0000285000000000,  0.0005402500000000 ]  - [   0.0004862100000000, -0.0000085300000000,  0.0006567700000000 ]  - [   0.0004645000000000,  0.0000226400000000,  0.0006291900000000 ]  - [  -0.0756827900000000, -0.0193919700000000,  0.0128643200000000 ]  - [   0.0006946700000000, -0.0000701300000000, -0.0000639200000000 ]  - [   0.0007319600000000,  0.0000448600000000,  0.0001855400000000 ]  - [   0.0007208900000000,  0.0000333300000000,  0.0001654000000000 ]  - [   0.0007535100000000,  0.0000122000000000,  0.0001360700000000 ]  - [   0.0007243300000000,  0.0000154800000000,  0.0001423500000000 ]  - [   0.0007251600000000,  0.0000362400000000,  0.0001633600000000 ]  - [   0.0007234700000000,  0.0000364300000000,  0.0001661500000000 ]  - [  -0.0006337900000000, -0.0000318700000000, -0.0001481300000000 ]  - [  -0.0004650000000000,  0.0000899300000000,  0.0003787700000000 ]  - [  -0.0007226200000000,  0.0000338300000000, -0.0001652000000000 ]  - [  -0.0007238200000000,  0.0000357300000000, -0.0001656400000000 ]  - [   0.0007995500000000,  0.0006129700000000,  0.0020569800000000 ]  - [   0.0049013600000000,  0.0007048100000000, -0.0064656300000000 ]  - [  -0.0007315400000000,  0.0000376200000000, -0.0001763100000000 ]  - [  -0.0007216200000000,  0.0000359200000000, -0.0001688100000000 ]  - [  -0.0007097800000000, -0.0000432000000000, -0.0001711900000000 ]  - [  -0.0007235000000000, -0.0000464200000000, -0.0001460500000000 ]  - [  -0.0007178000000000, -0.0000224400000000, -0.0001516900000000 ]  - [  -0.0007351500000000,  0.0000024300000000, -0.0001020100000000 ]  - [  -0.0008136700000000, -0.0002261100000000, -0.0004039300000000 ]  - [  -0.0008780200000000, -0.0001526400000000, -0.0002200000000000 ]  - [  -0.0008736800000000, -0.0000608000000000, -0.0000691500000000 ]  - [  -0.0006809700000000, -0.0000560000000000, -0.0001274900000000 ]  - [   0.0003558400000000,  0.0003411900000000, -0.0001787200000000 ]  - [   0.0008027800000000, -0.0000846900000000,  0.0001708100000000 ]  - [   0.0006105900000000,  0.0000780000000000, -0.0000152200000000 ]  - [   0.0006244600000000, -0.0000294200000000,  0.0001865200000000 ]  - [   0.0007202100000000, -0.0000504200000000,  0.0001658100000000 ]  - [   0.0007364000000000, -0.0000478500000000,  0.0001489800000000 ]  - [   0.0007126700000000, -0.0000221600000000,  0.0001508100000000 ]  - [   0.0007060500000000, -0.0000282400000000,  0.0001530900000000 ]  - [  -0.0004958800000000, -0.0000342500000000, -0.0006469400000000 ]  - [  -0.0004712800000000, -0.0000614200000000, -0.0006426800000000 ]  - [  -0.0004644200000000,  0.0000099300000000, -0.0006326200000000 ]  - [  -0.0004752900000000,  0.0000185100000000, -0.0006396300000000 ]  - [  -0.0016772800000000,  0.0033266000000000,  0.0024389800000000 ]  - [  -0.0002858900000000,  0.0001379700000000, -0.0004885800000000 ]  - [  -0.0005103900000000,  0.0000783500000000, -0.0007068600000000 ]  - [  -0.0004629200000000,  0.0000089600000000, -0.0006386500000000 ]  - [  -0.0000446500000000,  0.0006031300000000, -0.0000384600000000 ]  - [   0.0007834500000000, -0.0008076600000000,  0.0012742700000000 ]  - [   0.0004539000000000,  0.0000087400000000,  0.0006234400000000 ]  - [   0.0004855100000000,  0.0000281200000000,  0.0006545000000000 ]  - [   0.0005060300000000, -0.0000333300000000,  0.0006753500000000 ]  - [   0.0004432600000000, -0.0000478700000000,  0.0006711700000000 ]  - [   0.0004716100000000,  0.0000097600000000,  0.0006343300000000 ]  - [   0.0004701900000000,  0.0000161400000000,  0.0006366300000000 ]  - [   0.0007293600000000,  0.0000461900000000,  0.0001908100000000 ]  - [   0.0007859900000000,  0.0000364400000000,  0.0001481000000000 ]  - [   0.0007840200000000,  0.0001112700000000,  0.0002140200000000 ]  - [   0.0007309000000000, -0.0000780500000000,  0.0001698000000000 ]  - [   0.0007189400000000,  0.0000662500000000,  0.0001711000000000 ]  - [   0.0006954900000000,  0.0000335200000000,  0.0001634700000000 ]  - [   0.0006954300000000,  0.0000222500000000,  0.0001567000000000 ]  - [   0.0007190600000000,  0.0000079300000000,  0.0001518000000000 ]  - [  -0.0007695000000000,  0.0000487100000000, -0.0001346900000000 ]  - [  -0.0007159800000000,  0.0000322100000000, -0.0001769900000000 ]  - [  -0.0007678900000000,  0.0000798400000000, -0.0001912000000000 ]  - [  -0.0007161100000000,  0.0000274700000000, -0.0001620200000000 ]  - [  -0.0005998800000000,  0.0000809700000000, -0.0002284300000000 ]  - [  -0.0006996400000000,  0.0000198300000000, -0.0001430500000000 ]  - [  -0.0006039900000000, -0.0001942800000000, -0.0000762200000000 ]  - [  -0.0006994600000000, -0.0000853800000000, -0.0000595300000000 ]  - [  -0.0001997000000000,  0.0000316900000000, -0.0007726600000000 ]  - [  -0.0006298100000000, -0.0000178800000000, -0.0002177400000000 ]  - [  -0.0007144300000000, -0.0000306700000000, -0.0001445400000000 ]  - [  -0.0007134900000000, -0.0000276300000000, -0.0001457200000000 ]  - [  -0.0015835300000000, -0.0027571200000000, -0.0029945900000000 ]  - [  -0.0012710900000000,  0.0000163400000000,  0.0000595500000000 ]  - [  -0.0007100900000000, -0.0000245600000000, -0.0001404000000000 ]  - [  -0.0007167000000000, -0.0000251400000000, -0.0001378100000000 ]  - [   0.0041515700000000,  0.0015771700000000,  0.0000548500000000 ]  - [   0.0040932800000000, -0.0017230400000000, -0.0003029800000000 ]  - [   0.0007132500000000, -0.0000275600000000,  0.0001357100000000 ]  - [   0.0007131200000000, -0.0000231200000000,  0.0001413600000000 ]  - [   0.0008921900000000, -0.0000852200000000,  0.0001204800000000 ]  - [   0.0008926500000000, -0.0000361200000000,  0.0000302800000000 ]  - [   0.0007120300000000, -0.0000264600000000,  0.0001417800000000 ]  - [   0.0007118400000000, -0.0000273200000000,  0.0001453200000000 ]- atom:   49  displacement:    [  -0.0099983476490158,  0.0000000000000000, -0.0001817808829866 ]  forces:  - [  -0.0000568100000000,  0.0015579000000000,  0.0000242900000000 ]  - [  -0.0000097500000000,  0.0015885300000000,  0.0000131700000000 ]  - [  -0.0000058300000000,  0.0016266500000000, -0.0000032800000000 ]  - [   0.0000011800000000,  0.0016390900000000, -0.0000071300000000 ]  - [  -0.0000646500000000,  0.0013605300000000, -0.0000677800000000 ]  - [   0.0000179400000000,  0.0013941900000000,  0.0000373500000000 ]  - [  -0.0001164100000000,  0.0016059800000000, -0.0001380900000000 ]  - [   0.0000286600000000,  0.0016030300000000,  0.0000275900000000 ]  - [   0.0003921600000000, -0.0019599900000000,  0.0002290500000000 ]  - [   0.0000937300000000, -0.0016365000000000,  0.0000288100000000 ]  - [   0.0000062200000000, -0.0015892100000000, -0.0000043400000000 ]  - [   0.0000009200000000, -0.0015851700000000, -0.0000014900000000 ]  - [  -0.0194428000000000, -0.0157849600000000, -0.0138238700000000 ]  - [  -0.0002047600000000, -0.0014276200000000, -0.0003112700000000 ]  - [   0.0000081600000000, -0.0015742200000000, -0.0000006400000000 ]  - [   0.0000000000000000, -0.0015832900000000, -0.0000006200000000 ]  - [  -0.0000554600000000,  0.0014467200000000, -0.0002404700000000 ]  - [   0.0000965600000000,  0.0015455100000000,  0.0000216400000000 ]  - [  -0.0000124000000000,  0.0016305900000000,  0.0000041000000000 ]  - [   0.0000046200000000,  0.0016355100000000,  0.0000022000000000 ]  - [  -0.0450622500000000,  0.0022392900000000,  0.0238201900000000 ]  - [   0.0000597600000000,  0.0016028700000000, -0.0000688700000000 ]  - [  -0.0000020000000000,  0.0016473100000000, -0.0000046000000000 ]  - [  -0.0000025100000000,  0.0016385100000000,  0.0000034700000000 ]  - [  -0.0000391600000000, -0.0016073600000000, -0.0000272600000000 ]  - [   0.0001058100000000, -0.0015589600000000,  0.0000191000000000 ]  - [  -0.0001537300000000, -0.0014962000000000, -0.0000213900000000 ]  - [  -0.0000051600000000, -0.0016200400000000, -0.0000032600000000 ]  - [  -0.0001185000000000, -0.0015654300000000, -0.0000771500000000 ]  - [   0.0000777000000000, -0.0016151300000000,  0.0000045100000000 ]  - [   0.0001794300000000, -0.0021472100000000,  0.0001586800000000 ]  - [  -0.0003996900000000, -0.0015325800000000,  0.0003733700000000 ]  - [  -0.0004385200000000, -0.0000322700000000, -0.0006537000000000 ]  - [  -0.0005100700000000,  0.0000624300000000, -0.0006842300000000 ]  - [  -0.0004513000000000, -0.0000015400000000, -0.0006193900000000 ]  - [  -0.0004986300000000, -0.0000561900000000, -0.0006694800000000 ]  - [   0.0012849700000000, -0.0013398100000000,  0.0000406400000000 ]  - [  -0.0004549700000000, -0.0001579300000000, -0.0007842200000000 ]  - [  -0.0004732000000000,  0.0000059700000000, -0.0006045000000000 ]  - [  -0.0004586100000000, -0.0000239900000000, -0.0006473100000000 ]  - [  -0.0005228100000000,  0.0006904200000000,  0.0004739200000000 ]  - [  -0.0018110000000000, -0.0022943200000000, -0.0004318400000000 ]  - [   0.0004739900000000,  0.0000088200000000,  0.0006106600000000 ]  - [   0.0004786900000000, -0.0000551600000000,  0.0006682400000000 ]  - [   0.0004724200000000, -0.0000172800000000,  0.0006330600000000 ]  - [   0.0006338200000000, -0.0000293300000000,  0.0007339200000000 ]  - [   0.0004553100000000,  0.0000088500000000,  0.0006191100000000 ]  - [   0.0004767000000000, -0.0000220600000000,  0.0006463200000000 ]  - [   0.0788210600000000,  0.0191005500000000, -0.0143523000000000 ]  - [   0.0007442200000000,  0.0001332100000000,  0.0003716100000000 ]  - [   0.0007058000000000,  0.0000176300000000,  0.0001244200000000 ]  - [   0.0007167300000000,  0.0000293400000000,  0.0001445000000000 ]  - [   0.0006824200000000,  0.0000506500000000,  0.0001747100000000 ]  - [   0.0007126500000000,  0.0000470600000000,  0.0001666800000000 ]  - [   0.0007122300000000,  0.0000261700000000,  0.0001463500000000 ]  - [   0.0007138600000000,  0.0000260200000000,  0.0001436100000000 ]  - [  -0.0008046900000000,  0.0000934500000000, -0.0001607500000000 ]  - [  -0.0009756500000000, -0.0000260900000000, -0.0006985900000000 ]  - [  -0.0007155400000000,  0.0000285900000000, -0.0001451700000000 ]  - [  -0.0007143400000000,  0.0000266700000000, -0.0001447200000000 ]  - [  -0.0022236000000000, -0.0005383600000000, -0.0023282300000000 ]  - [  -0.0064205500000000, -0.0006256100000000,  0.0062511400000000 ]  - [  -0.0007069900000000,  0.0000249500000000, -0.0001343500000000 ]  - [  -0.0007169300000000,  0.0000267900000000, -0.0001417600000000 ]  - [  -0.0007277000000000, -0.0000196000000000, -0.0001383500000000 ]  - [  -0.0007139100000000, -0.0000162100000000, -0.0001631800000000 ]  - [  -0.0007198400000000, -0.0000399500000000, -0.0001577000000000 ]  - [  -0.0007016100000000, -0.0000643700000000, -0.0002077400000000 ]  - [  -0.0006207500000000,  0.0001701000000000,  0.0000962900000000 ]  - [  -0.0005604200000000,  0.0000897100000000, -0.0000888300000000 ]  - [  -0.0005652900000000, -0.0000002800000000, -0.0002390200000000 ]  - [  -0.0007569400000000, -0.0000065600000000, -0.0001800300000000 ]  - [   0.0010788400000000, -0.0003997500000000,  0.0004859100000000 ]  - [   0.0006365200000000,  0.0000214300000000,  0.0001392900000000 ]  - [   0.0008293500000000, -0.0001317000000000,  0.0003249600000000 ]  - [   0.0008119100000000, -0.0000327700000000,  0.0001235900000000 ]  - [   0.0007179100000000, -0.0000124000000000,  0.0001443300000000 ]  - [   0.0007018000000000, -0.0000148800000000,  0.0001609600000000 ]  - [   0.0007249700000000, -0.0000398100000000,  0.0001596100000000 ]  - [   0.0007320800000000, -0.0000341700000000,  0.0001568900000000 ]  - [  -0.0004455300000000,  0.0000338200000000, -0.0006292200000000 ]  - [  -0.0004694600000000,  0.0000618500000000, -0.0006328400000000 ]  - [  -0.0004769800000000, -0.0000091900000000, -0.0006431500000000 ]  - [  -0.0004658400000000, -0.0000181100000000, -0.0006358800000000 ]  - [   0.0007201400000000, -0.0032498000000000, -0.0036662800000000 ]  - [  -0.0006572700000000, -0.0001394400000000, -0.0007880900000000 ]  - [  -0.0004305800000000, -0.0000783500000000, -0.0005683100000000 ]  - [  -0.0004783600000000, -0.0000090800000000, -0.0006365500000000 ]  - [   0.0009720600000000, -0.0006198100000000,  0.0012963700000000 ]  - [   0.0001548100000000,  0.0008134300000000, -0.0000055700000000 ]  - [   0.0004875500000000, -0.0000084600000000,  0.0006518700000000 ]  - [   0.0004559500000000, -0.0000271200000000,  0.0006217300000000 ]  - [   0.0004352000000000,  0.0000328200000000,  0.0006004900000000 ]  - [   0.0004973100000000,  0.0000489400000000,  0.0006037000000000 ]  - [   0.0004693500000000, -0.0000094400000000,  0.0006410900000000 ]  - [   0.0004713100000000, -0.0000153700000000,  0.0006392100000000 ]  - [   0.0007078600000000,  0.0000161200000000,  0.0001191000000000 ]  - [   0.0006515100000000,  0.0000259300000000,  0.0001611000000000 ]  - [   0.0006520300000000, -0.0000480000000000,  0.0000965000000000 ]  - [   0.0007085900000000,  0.0001415800000000,  0.0001402600000000 ]  - [   0.0007187000000000, -0.0000038400000000,  0.0001374300000000 ]  - [   0.0007419000000000,  0.0000289500000000,  0.0001461100000000 ]  - [   0.0007417600000000,  0.0000399600000000,  0.0001527200000000 ]  - [   0.0007180900000000,  0.0000541900000000,  0.0001575100000000 ]  - [  -0.0006694900000000,  0.0000140100000000, -0.0001750900000000 ]  - [  -0.0007221800000000,  0.0000302600000000, -0.0001331000000000 ]  - [  -0.0006700200000000, -0.0000178000000000, -0.0001186000000000 ]  - [  -0.0007219400000000,  0.0000346000000000, -0.0001479400000000 ]  - [  -0.0008386700000000, -0.0000185300000000, -0.0000813700000000 ]  - [  -0.0007397900000000,  0.0000425600000000, -0.0001670100000000 ]  - [  -0.0008372000000000,  0.0002594300000000, -0.0002363700000000 ]  - [  -0.0007366600000000,  0.0001432800000000, -0.0002464500000000 ]  - [  -0.0012388500000000, -0.0000918300000000,  0.0004565500000000 ]  - [  -0.0008085100000000, -0.0000443100000000, -0.0000915900000000 ]  - [  -0.0007229600000000, -0.0000318800000000, -0.0001645800000000 ]  - [  -0.0007238800000000, -0.0000349000000000, -0.0001634600000000 ]  - [   0.0001755100000000,  0.0026828400000000,  0.0026565700000000 ]  - [  -0.0001646000000000, -0.0000778500000000, -0.0003695700000000 ]  - [  -0.0007268400000000, -0.0000377600000000, -0.0001684600000000 ]  - [  -0.0007204300000000, -0.0000372300000000, -0.0001712700000000 ]  - [  -0.0026561900000000, -0.0015825500000000,  0.0002840200000000 ]  - [  -0.0027263800000000,  0.0017215800000000,  0.0006026700000000 ]  - [   0.0007244200000000, -0.0000348500000000,  0.0001739100000000 ]  - [   0.0007245800000000, -0.0000392500000000,  0.0001681800000000 ]  - [   0.0005476500000000,  0.0000222600000000,  0.0001895300000000 ]  - [   0.0005448300000000, -0.0000271400000000,  0.0002804500000000 ]  - [   0.0007259700000000, -0.0000361000000000,  0.0001679700000000 ]  - [   0.0007261200000000, -0.0000351800000000,  0.0001644400000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001308100000000,  0.0017116400000000, -0.0000316700000000 ]  - [  -0.0000206800000000,  0.0016434000000000, -0.0000111300000000 ]  - [   0.0000152400000000,  0.0015835800000000,  0.0000097700000000 ]  - [  -0.0000126600000000,  0.0015802200000000, -0.0000033300000000 ]  - [  -0.0000886400000000,  0.0018937800000000, -0.0003067400000000 ]  - [  -0.0000682300000000,  0.0018548900000000,  0.0001129900000000 ]  - [   0.0001709500000000,  0.0018056500000000,  0.0001836500000000 ]  - [  -0.0000049000000000,  0.0015825500000000,  0.0000001700000000 ]  - [   0.0001638300000000, -0.0016914900000000,  0.0000357000000000 ]  - [  -0.0000757900000000, -0.0011303800000000, -0.0000068400000000 ]  - [   0.0000004300000000, -0.0016296400000000,  0.0000002500000000 ]  - [  -0.0000004000000000, -0.0016340000000000, -0.0000014100000000 ]  - [   0.0132894900000000,  0.0347676800000000,  0.0208749000000000 ]  - [   0.0001110100000000, -0.0015652800000000, -0.0001619200000000 ]  - [  -0.0000104200000000, -0.0016336900000000, -0.0000099500000000 ]  - [   0.0000002100000000, -0.0016321500000000, -0.0000037600000000 ]  - [   0.0001089700000000,  0.0014716500000000, -0.0002315600000000 ]  - [  -0.0000736900000000,  0.0015694600000000, -0.0000193900000000 ]  - [   0.0000136900000000,  0.0015988200000000, -0.0000027500000000 ]  - [  -0.0000070400000000,  0.0015941400000000,  0.0000019600000000 ]  - [   0.0008853900000000,  0.0134739300000000, -0.0018969700000000 ]  - [   0.0004187200000000,  0.0010402800000000,  0.0001366800000000 ]  - [   0.0000002500000000,  0.0015846400000000,  0.0000035600000000 ]  - [   0.0000027600000000,  0.0015827600000000,  0.0000010600000000 ]  - [  -0.0000107000000000, -0.0015806300000000,  0.0000007000000000 ]  - [  -0.0000798200000000, -0.0016431300000000, -0.0000196400000000 ]  - [  -0.0000992300000000, -0.0016530900000000,  0.0000290300000000 ]  - [  -0.0000185300000000, -0.0016337900000000,  0.0000042400000000 ]  - [   0.0000405600000000, -0.0016345600000000,  0.0000811300000000 ]  - [   0.0000442100000000, -0.0016078800000000,  0.0000123300000000 ]  - [   0.0000674100000000, -0.0019441600000000, -0.0000347800000000 ]  - [  -0.0000703500000000, -0.0015346100000000, -0.0000157300000000 ]  - [  -0.0005044900000000,  0.0001974000000000, -0.0002776800000000 ]  - [  -0.0004648300000000,  0.0000036000000000, -0.0006258300000000 ]  - [  -0.0004910900000000,  0.0000049100000000, -0.0006524600000000 ]  - [  -0.0004533900000000,  0.0000351400000000, -0.0006181700000000 ]  - [   0.0020664300000000,  0.0004585900000000, -0.0026222300000000 ]  - [  -0.0006138500000000,  0.0002023600000000, -0.0007715100000000 ]  - [  -0.0004707100000000, -0.0000060500000000, -0.0006787700000000 ]  - [  -0.0005126800000000, -0.0000206800000000, -0.0006527800000000 ]  - [  -0.0000994000000000,  0.0003094000000000,  0.0007649500000000 ]  - [   0.0027005600000000,  0.0011951300000000,  0.0002810100000000 ]  - [   0.0004596700000000,  0.0000053300000000,  0.0006530600000000 ]  - [   0.0004824000000000,  0.0000190800000000,  0.0006400700000000 ]  - [   0.0004805700000000,  0.0000300900000000,  0.0006577100000000 ]  - [   0.0004900000000000,  0.0000718900000000,  0.0006473600000000 ]  - [   0.0004869300000000, -0.0000077700000000,  0.0006544100000000 ]  - [   0.0004832000000000, -0.0000093300000000,  0.0006504400000000 ]  - [  -0.0184738900000000, -0.0553897700000000, -0.0269077200000000 ]  - [   0.0006151500000000,  0.0001519800000000,  0.0001827200000000 ]  - [   0.0007315100000000,  0.0000255100000000,  0.0001830000000000 ]  - [   0.0007203700000000,  0.0000319000000000,  0.0001655300000000 ]  - [   0.0006997700000000, -0.0000358900000000,  0.0001441700000000 ]  - [   0.0007033800000000, -0.0000056900000000,  0.0001256000000000 ]  - [   0.0007236200000000,  0.0000371500000000,  0.0001589300000000 ]  - [   0.0007237700000000,  0.0000381500000000,  0.0001609600000000 ]  - [  -0.0006558000000000, -0.0000165800000000, -0.0002006800000000 ]  - [  -0.0007757000000000, -0.0005518600000000, -0.0000742500000000 ]  - [  -0.0007215700000000,  0.0000360900000000, -0.0001601000000000 ]  - [  -0.0007234600000000,  0.0000375100000000, -0.0001605600000000 ]  - [  -0.0012912500000000, -0.0028411100000000, -0.0007068700000000 ]  - [  -0.0014045900000000, -0.0033215800000000,  0.0002266200000000 ]  - [  -0.0007248900000000,  0.0000278400000000, -0.0001741000000000 ]  - [  -0.0007233500000000,  0.0000312400000000, -0.0001642000000000 ]  - [  -0.0007300000000000, -0.0000545600000000, -0.0001792000000000 ]  - [  -0.0007332100000000, -0.0000432900000000, -0.0001758300000000 ]  - [  -0.0007100300000000, -0.0000282900000000, -0.0001425300000000 ]  - [  -0.0006857500000000, -0.0000143800000000, -0.0001398500000000 ]  - [  -0.0009130700000000, -0.0004638200000000, -0.0003351000000000 ]  - [  -0.0008398700000000, -0.0000853900000000, -0.0001345200000000 ]  - [  -0.0007478700000000, -0.0000869400000000, -0.0002152400000000 ]  - [  -0.0007431800000000, -0.0000103000000000, -0.0001314200000000 ]  - [   0.0003575200000000,  0.0005336900000000, -0.0003827300000000 ]  - [   0.0007711200000000, -0.0001011800000000,  0.0001896300000000 ]  - [   0.0006161800000000,  0.0013799500000000,  0.0000864800000000 ]  - [   0.0007179600000000, -0.0000419400000000,  0.0001388900000000 ]  - [   0.0007376500000000, -0.0000531800000000,  0.0001751500000000 ]  - [   0.0007349800000000, -0.0000668700000000,  0.0001760700000000 ]  - [   0.0007103600000000, -0.0000270600000000,  0.0001408100000000 ]  - [   0.0007162100000000, -0.0000326100000000,  0.0001410100000000 ]  - [  -0.0004506300000000, -0.0000341100000000, -0.0006401800000000 ]  - [  -0.0004699700000000, -0.0000430800000000, -0.0006319000000000 ]  - [  -0.0004764700000000,  0.0000189600000000, -0.0006452900000000 ]  - [  -0.0004734800000000,  0.0000121600000000, -0.0006380400000000 ]  - [   0.0038092500000000,  0.0032974700000000,  0.0053478200000000 ]  - [  -0.0004817300000000, -0.0000517700000000, -0.0006223000000000 ]  - [  -0.0005158400000000,  0.0000707100000000, -0.0007100800000000 ]  - [  -0.0004708200000000,  0.0000156800000000, -0.0006389500000000 ]  - [   0.0010387500000000,  0.0039824900000000,  0.0015358500000000 ]  - [   0.0004139300000000, -0.0001688600000000,  0.0006244200000000 ]  - [   0.0004534900000000, -0.0000129300000000,  0.0006131300000000 ]  - [   0.0004698400000000,  0.0000092100000000,  0.0006351800000000 ]  - [   0.0004299400000000, -0.0000185700000000,  0.0006171600000000 ]  - [   0.0004904500000000, -0.0001735900000000,  0.0007018800000000 ]  - [   0.0004717000000000,  0.0000096100000000,  0.0006352200000000 ]  - [   0.0004752000000000,  0.0000162500000000,  0.0006410800000000 ]  - [   0.0006049400000000,  0.0000798200000000,  0.0003208400000000 ]  - [   0.0008003100000000,  0.0000496900000000,  0.0000531400000000 ]  - [   0.0007237100000000,  0.0000496800000000,  0.0001738700000000 ]  - [   0.0007327400000000,  0.0000790500000000,  0.0001851500000000 ]  - [   0.0006950400000000,  0.0000542800000000,  0.0001726300000000 ]  - [   0.0007100600000000,  0.0000369700000000,  0.0001415600000000 ]  - [   0.0007208000000000,  0.0000371200000000,  0.0001697100000000 ]  - [   0.0007522500000000,  0.0000535000000000,  0.0001738400000000 ]  - [  -0.0007687800000000,  0.0000499400000000, -0.0001016700000000 ]  - [  -0.0007156000000000,  0.0000323900000000, -0.0001501300000000 ]  - [  -0.0007359400000000,  0.0000502900000000, -0.0001731200000000 ]  - [  -0.0007201600000000,  0.0000325600000000, -0.0001641200000000 ]  - [  -0.0004890700000000,  0.0000969700000000, -0.0002730800000000 ]  - [  -0.0006029700000000,  0.0000036100000000, -0.0002727900000000 ]  - [  -0.0007670300000000,  0.0000966700000000, -0.0002191200000000 ]  - [  -0.0007082300000000,  0.0000042100000000, -0.0001295500000000 ]  - [  -0.0006512500000000,  0.0003583900000000, -0.0004695100000000 ]  - [  -0.0007055200000000,  0.0000298400000000, -0.0001555200000000 ]  - [  -0.0007181200000000, -0.0000363500000000, -0.0001493800000000 ]  - [  -0.0007150800000000, -0.0000309300000000, -0.0001476900000000 ]  - [  -0.0035367000000000,  0.0021553200000000,  0.0047036500000000 ]  - [  -0.0006782400000000,  0.0000191500000000, -0.0000627200000000 ]  - [  -0.0007123000000000, -0.0000270500000000, -0.0001449200000000 ]  - [  -0.0007130800000000, -0.0000188200000000, -0.0001365800000000 ]  - [   0.0024730200000000,  0.0000681100000000, -0.0008945100000000 ]  - [  -0.0008864700000000,  0.0000648500000000,  0.0011386400000000 ]  - [   0.0007113000000000, -0.0000266100000000,  0.0001420900000000 ]  - [   0.0007156500000000, -0.0000266100000000,  0.0001447600000000 ]  - [   0.0007239900000000,  0.0000275000000000,  0.0001214400000000 ]  - [   0.0007733200000000,  0.0000274000000000,  0.0000925300000000 ]  - [   0.0007152400000000, -0.0000294800000000,  0.0001469800000000 ]  - [   0.0007142800000000, -0.0000294900000000,  0.0001477800000000 ]- atom:   49  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001319000000000,  0.0015086900000000,  0.0000344300000000 ]  - [   0.0000188200000000,  0.0015774500000000,  0.0000137700000000 ]  - [  -0.0000176400000000,  0.0016372500000000, -0.0000066500000000 ]  - [   0.0000114400000000,  0.0016407300000000,  0.0000065800000000 ]  - [   0.0000884600000000,  0.0013233700000000,  0.0003128900000000 ]  - [   0.0000657700000000,  0.0013644500000000, -0.0001090700000000 ]  - [  -0.0001789800000000,  0.0014086200000000, -0.0001878000000000 ]  - [   0.0000036200000000,  0.0016382700000000,  0.0000033800000000 ]  - [  -0.0001606900000000, -0.0015317100000000, -0.0000378200000000 ]  - [   0.0000797400000000, -0.0020898500000000,  0.0000053900000000 ]  - [   0.0000014000000000, -0.0015903000000000, -0.0000033700000000 ]  - [   0.0000022200000000, -0.0015859000000000, -0.0000017300000000 ]  - [  -0.0125461700000000, -0.0369671700000000, -0.0199022900000000 ]  - [  -0.0001013700000000, -0.0016612400000000,  0.0001530600000000 ]  - [   0.0000123200000000, -0.0015857900000000,  0.0000068400000000 ]  - [   0.0000015700000000, -0.0015878400000000,  0.0000007000000000 ]  - [  -0.0001095400000000,  0.0017454400000000,  0.0002374100000000 ]  - [   0.0000718900000000,  0.0016508600000000,  0.0000235100000000 ]  - [  -0.0000155000000000,  0.0016220300000000,  0.0000059000000000 ]  - [   0.0000052100000000,  0.0016267700000000,  0.0000011900000000 ]  - [  -0.0007395400000000, -0.0102840800000000,  0.0018028400000000 ]  - [  -0.0004166000000000,  0.0021763000000000, -0.0001347000000000 ]  - [  -0.0000019600000000,  0.0016363500000000, -0.0000004700000000 ]  - [  -0.0000046400000000,  0.0016383400000000,  0.0000022200000000 ]  - [   0.0000117700000000, -0.0016390400000000, -0.0000041300000000 ]  - [   0.0000820600000000, -0.0015770200000000,  0.0000163600000000 ]  - [   0.0001083400000000, -0.0015638000000000, -0.0000339500000000 ]  - [   0.0000205000000000, -0.0015870000000000, -0.0000074800000000 ]  - [  -0.0000402000000000, -0.0015841500000000, -0.0000841200000000 ]  - [  -0.0000402700000000, -0.0016113600000000, -0.0000147100000000 ]  - [  -0.0000691300000000, -0.0012704000000000,  0.0000312500000000 ]  - [   0.0000696400000000, -0.0016872900000000,  0.0000140500000000 ]  - [  -0.0004387000000000, -0.0002041000000000, -0.0010078300000000 ]  - [  -0.0004766600000000, -0.0000030300000000, -0.0006498800000000 ]  - [  -0.0004501300000000, -0.0000049500000000, -0.0006230100000000 ]  - [  -0.0004879800000000, -0.0000353700000000, -0.0006574000000000 ]  - [  -0.0030308400000000, -0.0004670500000000,  0.0013878800000000 ]  - [  -0.0003269800000000, -0.0002000000000000, -0.0005054000000000 ]  - [  -0.0004706300000000,  0.0000059700000000, -0.0005966200000000 ]  - [  -0.0004294300000000,  0.0000196200000000, -0.0006234500000000 ]  - [   0.0010445800000000, -0.0003073200000000,  0.0005067300000000 ]  - [  -0.0017846300000000, -0.0011915000000000,  0.0010130000000000 ]  - [   0.0004817200000000, -0.0000053500000000,  0.0006223200000000 ]  - [   0.0004592900000000, -0.0000198200000000,  0.0006360200000000 ]  - [   0.0004604800000000, -0.0000297900000000,  0.0006176000000000 ]  - [   0.0004519800000000, -0.0000711600000000,  0.0006289500000000 ]  - [   0.0004543500000000,  0.0000076600000000,  0.0006211400000000 ]  - [   0.0004583500000000,  0.0000087600000000,  0.0006255100000000 ]  - [   0.0190623200000000,  0.0543987700000000,  0.0261795900000000 ]  - [   0.0008197100000000, -0.0000892200000000,  0.0001291300000000 ]  - [   0.0007055700000000,  0.0000368100000000,  0.0001257400000000 ]  - [   0.0007170300000000,  0.0000306200000000,  0.0001434600000000 ]  - [   0.0007380200000000,  0.0000987100000000,  0.0001649900000000 ]  - [   0.0007340000000000,  0.0000676300000000,  0.0001835500000000 ]  - [   0.0007136900000000,  0.0000252900000000,  0.0001500900000000 ]  - [   0.0007135700000000,  0.0000242800000000,  0.0001480600000000 ]  - [  -0.0007828700000000,  0.0000790200000000, -0.0001096400000000 ]  - [  -0.0006570300000000,  0.0006139600000000, -0.0002271000000000 ]  - [  -0.0007164600000000,  0.0000263300000000, -0.0001494800000000 ]  - [  -0.0007145300000000,  0.0000249100000000, -0.0001489700000000 ]  - [  -0.0001599400000000,  0.0028656400000000,  0.0003831700000000 ]  - [  -0.0000603600000000,  0.0033955900000000, -0.0005251800000000 ]  - [  -0.0007130700000000,  0.0000345800000000, -0.0001353400000000 ]  - [  -0.0007147300000000,  0.0000312900000000, -0.0001453000000000 ]  - [  -0.0007074700000000, -0.0000077300000000, -0.0001299500000000 ]  - [  -0.0007039200000000, -0.0000189100000000, -0.0001331400000000 ]  - [  -0.0007272400000000, -0.0000340500000000, -0.0001668500000000 ]  - [  -0.0007521900000000, -0.0000480000000000, -0.0001686000000000 ]  - [  -0.0005237500000000,  0.0004021200000000,  0.0000296500000000 ]  - [  -0.0005967600000000,  0.0000233400000000, -0.0001741000000000 ]  - [  -0.0006895600000000,  0.0000265500000000, -0.0000931400000000 ]  - [  -0.0006928800000000, -0.0000522900000000, -0.0001780400000000 ]  - [   0.0010793000000000, -0.0005940500000000,  0.0006876800000000 ]  - [   0.0006662500000000,  0.0000390400000000,  0.0001200200000000 ]  - [   0.0008233600000000, -0.0014958500000000,  0.0002285500000000 ]  - [   0.0007207700000000, -0.0000202700000000,  0.0001705900000000 ]  - [   0.0007006400000000, -0.0000090600000000,  0.0001346000000000 ]  - [   0.0007030600000000,  0.0000044000000000,  0.0001341500000000 ]  - [   0.0007276300000000, -0.0000353300000000,  0.0001690900000000 ]  - [   0.0007218900000000, -0.0000298200000000,  0.0001689100000000 ]  - [  -0.0004902500000000,  0.0000347900000000, -0.0006346600000000 ]  - [  -0.0004715600000000,  0.0000427800000000, -0.0006434300000000 ]  - [  -0.0004646900000000, -0.0000194600000000, -0.0006299800000000 ]  - [  -0.0004679100000000, -0.0000121600000000, -0.0006377100000000 ]  - [  -0.0047094700000000, -0.0032652700000000, -0.0065633400000000 ]  - [  -0.0004587700000000,  0.0000515700000000, -0.0006531500000000 ]  - [  -0.0004235300000000, -0.0000731800000000, -0.0005621000000000 ]  - [  -0.0004706600000000, -0.0000160100000000, -0.0006367000000000 ]  - [  -0.0000905400000000, -0.0038605200000000, -0.0002480100000000 ]  - [   0.0005276000000000,  0.0001698600000000,  0.0006496800000000 ]  - [   0.0004882300000000,  0.0000135800000000,  0.0006631300000000 ]  - [   0.0004714400000000, -0.0000096200000000,  0.0006403200000000 ]  - [   0.0005110000000000,  0.0000187600000000,  0.0006584700000000 ]  - [   0.0004505700000000,  0.0001739900000000,  0.0005731300000000 ]  - [   0.0004697500000000, -0.0000096400000000,  0.0006406400000000 ]  - [   0.0004659400000000, -0.0000167400000000,  0.0006343600000000 ]  - [   0.0008307800000000, -0.0000165300000000, -0.0000106400000000 ]  - [   0.0006375100000000,  0.0000130800000000,  0.0002551800000000 ]  - [   0.0007140700000000,  0.0000130200000000,  0.0001353800000000 ]  - [   0.0007040100000000, -0.0000173000000000,  0.0001232200000000 ]  - [   0.0007420500000000,  0.0000078500000000,  0.0001363600000000 ]  - [   0.0007273000000000,  0.0000254500000000,  0.0001675000000000 ]  - [   0.0007168900000000,  0.0000256400000000,  0.0001394600000000 ]  - [   0.0006828400000000,  0.0000070300000000,  0.0001343900000000 ]  - [  -0.0006692800000000,  0.0000125400000000, -0.0002078600000000 ]  - [  -0.0007224800000000,  0.0000300300000000, -0.0001595200000000 ]  - [  -0.0007021400000000,  0.0000128700000000, -0.0001367900000000 ]  - [  -0.0007186700000000,  0.0000302100000000, -0.0001453200000000 ]  - [  -0.0009472200000000, -0.0000339800000000, -0.0000377500000000 ]  - [  -0.0008360200000000,  0.0000585500000000, -0.0000372400000000 ]  - [  -0.0006700600000000, -0.0000342400000000, -0.0000904600000000 ]  - [  -0.0007302000000000,  0.0000591500000000, -0.0001807700000000 ]  - [  -0.0007861500000000, -0.0004167000000000,  0.0001534600000000 ]  - [  -0.0007321400000000, -0.0000923500000000, -0.0001532600000000 ]  - [  -0.0007193300000000, -0.0000261200000000, -0.0001599300000000 ]  - [  -0.0007223600000000, -0.0000314300000000, -0.0001615700000000 ]  - [   0.0020800800000000, -0.0022241200000000, -0.0049810500000000 ]  - [  -0.0007693400000000, -0.0000823000000000, -0.0002394200000000 ]  - [  -0.0007251200000000, -0.0000354600000000, -0.0001645200000000 ]  - [  -0.0007244700000000, -0.0000433500000000, -0.0001727400000000 ]  - [  -0.0010098500000000, -0.0001262900000000,  0.0011980000000000 ]  - [   0.0023087600000000, -0.0001294500000000, -0.0008231200000000 ]  - [   0.0007268700000000, -0.0000359200000000,  0.0001680900000000 ]  - [   0.0007226000000000, -0.0000359100000000,  0.0001653700000000 ]  - [   0.0007138800000000, -0.0000892700000000,  0.0001885000000000 ]  - [   0.0006637300000000, -0.0000894000000000,  0.0002158800000000 ]  - [   0.0007229200000000, -0.0000329300000000,  0.0001629800000000 ]  - [   0.0007239200000000, -0.0000329100000000,  0.0001622600000000 ]- atom:   49  displacement:    [  -0.0031358584632606,  0.0000000000000000,  0.0094955985434514 ]  forces:  - [   0.0000478300000000,  0.0016633300000000, -0.0000035500000000 ]  - [  -0.0000038800000000,  0.0016196400000000, -0.0000196500000000 ]  - [   0.0000029300000000,  0.0015892000000000,  0.0000060000000000 ]  - [  -0.0000016200000000,  0.0016004000000000, -0.0000035300000000 ]  - [   0.0002895600000000,  0.0018697200000000,  0.0004155800000000 ]  - [  -0.0000137000000000,  0.0016392700000000,  0.0001241000000000 ]  - [   0.0001979300000000,  0.0015789400000000,  0.0001753400000000 ]  - [   0.0000115600000000,  0.0015137100000000,  0.0000461000000000 ]  - [   0.0004265300000000, -0.0018476300000000,  0.0001260700000000 ]  - [   0.0001275000000000, -0.0013159100000000,  0.0001292600000000 ]  - [   0.0000033000000000, -0.0016418500000000, -0.0000027300000000 ]  - [   0.0000012500000000, -0.0016466100000000, -0.0000008200000000 ]  - [   0.0034796500000000,  0.0098610400000000,  0.0228186600000000 ]  - [  -0.0003677000000000, -0.0015975000000000,  0.0003064700000000 ]  - [  -0.0000004600000000, -0.0016915900000000,  0.0000053100000000 ]  - [   0.0000046300000000, -0.0016601800000000, -0.0000030500000000 ]  - [  -0.0000699400000000,  0.0015684000000000, -0.0002816200000000 ]  - [   0.0000296000000000,  0.0016193000000000,  0.0000033500000000 ]  - [   0.0000061800000000,  0.0015712500000000,  0.0000000800000000 ]  - [   0.0000007000000000,  0.0015763700000000,  0.0000016800000000 ]  - [  -0.0326986300000000,  0.0013445700000000,  0.0335045500000000 ]  - [   0.0007585100000000,  0.0015691000000000,  0.0002117200000000 ]  - [  -0.0000020400000000,  0.0015531600000000,  0.0000012400000000 ]  - [  -0.0000036300000000,  0.0015457100000000, -0.0000012400000000 ]  - [  -0.0000103300000000, -0.0016228600000000,  0.0000007800000000 ]  - [   0.0000107300000000, -0.0016385300000000, -0.0000009000000000 ]  - [  -0.0001954600000000, -0.0015034400000000,  0.0000451500000000 ]  - [   0.0000176200000000, -0.0016335700000000, -0.0000003500000000 ]  - [  -0.0000141800000000, -0.0017127700000000, -0.0000120100000000 ]  - [   0.0000132200000000, -0.0017039700000000,  0.0000419400000000 ]  - [  -0.0002334700000000, -0.0023600100000000,  0.0002012800000000 ]  - [  -0.0003062700000000, -0.0016686300000000,  0.0004541900000000 ]  - [  -0.0004915400000000,  0.0002047100000000, -0.0002952200000000 ]  - [  -0.0004740900000000,  0.0000218500000000, -0.0006525900000000 ]  - [  -0.0004796300000000,  0.0000265400000000, -0.0006411100000000 ]  - [  -0.0004772800000000,  0.0000116700000000, -0.0006471900000000 ]  - [  -0.0014443100000000, -0.0019465700000000,  0.0023431700000000 ]  - [  -0.0005569000000000, -0.0000523900000000, -0.0008148400000000 ]  - [  -0.0004633000000000,  0.0000438800000000, -0.0006461200000000 ]  - [  -0.0004827800000000,  0.0000169900000000, -0.0006474600000000 ]  - [   0.0002201600000000,  0.0003478700000000,  0.0001412700000000 ]  - [   0.0008824600000000, -0.0007685700000000, -0.0011647500000000 ]  - [   0.0004603800000000,  0.0000422600000000,  0.0006366900000000 ]  - [   0.0004830400000000,  0.0000177400000000,  0.0006625700000000 ]  - [   0.0004480600000000, -0.0000188300000000,  0.0006217300000000 ]  - [   0.0005756200000000, -0.0000791400000000,  0.0006984500000000 ]  - [   0.0004720000000000,  0.0000227800000000,  0.0006333500000000 ]  - [   0.0004774500000000,  0.0000151400000000,  0.0006436200000000 ]  - [   0.0399261600000000, -0.0194953100000000, -0.0678871300000000 ]  - [   0.0005135500000000,  0.0000885500000000,  0.0003537800000000 ]  - [   0.0007425800000000,  0.0000542300000000,  0.0002004800000000 ]  - [   0.0007271800000000,  0.0000412000000000,  0.0001866100000000 ]  - [   0.0006886500000000,  0.0000271600000000,  0.0002150200000000 ]  - [   0.0007062600000000,  0.0000085900000000,  0.0001190000000000 ]  - [   0.0007242900000000,  0.0000339000000000,  0.0001658000000000 ]  - [   0.0007273700000000,  0.0000357500000000,  0.0001671300000000 ]  - [  -0.0007383800000000,  0.0000937300000000, -0.0001963300000000 ]  - [  -0.0002973800000000, -0.0000582100000000,  0.0002451100000000 ]  - [  -0.0007270100000000,  0.0000354600000000, -0.0001666600000000 ]  - [  -0.0007270700000000,  0.0000352900000000, -0.0001663200000000 ]  - [   0.0008662300000000,  0.0003783400000000,  0.0021023300000000 ]  - [  -0.0086400500000000, -0.0005369900000000,  0.0027063000000000 ]  - [  -0.0007343200000000,  0.0000477600000000, -0.0001952600000000 ]  - [  -0.0007305900000000,  0.0000388800000000, -0.0001849300000000 ]  - [  -0.0007371700000000, -0.0000514400000000, -0.0001543000000000 ]  - [  -0.0007088600000000, -0.0000468800000000, -0.0001497100000000 ]  - [  -0.0007159300000000, -0.0000223800000000, -0.0001602500000000 ]  - [  -0.0006629300000000, -0.0000279900000000, -0.0001803000000000 ]  - [  -0.0009190300000000, -0.0001409100000000, -0.0004334500000000 ]  - [  -0.0007329700000000,  0.0000255700000000, -0.0000785700000000 ]  - [  -0.0005902100000000, -0.0000797400000000, -0.0001366300000000 ]  - [  -0.0007055100000000, -0.0000016300000000, -0.0002024300000000 ]  - [   0.0005218800000000,  0.0003649800000000, -0.0002032800000000 ]  - [   0.0007079700000000, -0.0000483900000000,  0.0001721200000000 ]  - [   0.0006003900000000,  0.0000073100000000, -0.0002426800000000 ]  - [   0.0007787400000000, -0.0000167400000000,  0.0000885600000000 ]  - [   0.0007285500000000, -0.0000446900000000,  0.0001598200000000 ]  - [   0.0007073400000000, -0.0000459200000000,  0.0001649000000000 ]  - [   0.0007163200000000, -0.0000204300000000,  0.0001596400000000 ]  - [   0.0007212300000000, -0.0000188800000000,  0.0001545500000000 ]  - [  -0.0004496900000000, -0.0000054900000000, -0.0006372600000000 ]  - [  -0.0005008400000000, -0.0000326300000000, -0.0006806600000000 ]  - [  -0.0004709600000000,  0.0000207300000000, -0.0006383500000000 ]  - [  -0.0004609400000000,  0.0000184200000000, -0.0006337600000000 ]  - [   0.0032372300000000,  0.0043138100000000, -0.0002852000000000 ]  - [  -0.0006405200000000, -0.0001530900000000, -0.0007238400000000 ]  - [  -0.0005241700000000,  0.0000894400000000, -0.0007112400000000 ]  - [  -0.0004789900000000,  0.0000327900000000, -0.0006322600000000 ]  - [  -0.0001703400000000,  0.0003868000000000, -0.0007326700000000 ]  - [   0.0000987900000000,  0.0007083100000000, -0.0000191300000000 ]  - [   0.0004610400000000,  0.0000092300000000,  0.0006104500000000 ]  - [   0.0004620900000000,  0.0000324200000000,  0.0006289800000000 ]  - [   0.0004360900000000, -0.0000205500000000,  0.0006186300000000 ]  - [   0.0005061100000000, -0.0000844700000000,  0.0006568900000000 ]  - [   0.0004631300000000,  0.0000224500000000,  0.0006377800000000 ]  - [   0.0004654500000000,  0.0000179400000000,  0.0006302300000000 ]  - [   0.0007276500000000,  0.0000560300000000,  0.0002460700000000 ]  - [   0.0007543200000000,  0.0000479100000000,  0.0001301300000000 ]  - [   0.0006913900000000, -0.0000901100000000,  0.0001097900000000 ]  - [   0.0007493000000000,  0.0002272700000000,  0.0002543100000000 ]  - [   0.0007154600000000,  0.0000390000000000,  0.0001622900000000 ]  - [   0.0007274900000000,  0.0000449900000000,  0.0001574400000000 ]  - [   0.0007338900000000,  0.0000214400000000,  0.0001593900000000 ]  - [   0.0007328300000000,  0.0000542700000000,  0.0001677600000000 ]  - [  -0.0007379500000000,  0.0000431400000000, -0.0001570100000000 ]  - [  -0.0007265600000000,  0.0000398400000000, -0.0001474800000000 ]  - [  -0.0006841800000000, -0.0000345400000000, -0.0001390200000000 ]  - [  -0.0007409000000000,  0.0000279600000000, -0.0001521200000000 ]  - [  -0.0006796800000000,  0.0000770100000000, -0.0001505500000000 ]  - [  -0.0006336000000000,  0.0000101400000000, -0.0002912200000000 ]  - [  -0.0008256000000000,  0.0002151600000000, -0.0001996100000000 ]  - [  -0.0007096200000000,  0.0001778300000000, -0.0003153900000000 ]  - [  -0.0014700900000000, -0.0003431200000000,  0.0007889800000000 ]  - [  -0.0008064600000000, -0.0000365000000000, -0.0001285900000000 ]  - [  -0.0007105300000000, -0.0000264300000000, -0.0001451700000000 ]  - [  -0.0007119000000000, -0.0000258100000000, -0.0001417800000000 ]  - [  -0.0033042600000000,  0.0055091700000000,  0.0082463400000000 ]  - [  -0.0003319600000000,  0.0000396400000000, -0.0006267300000000 ]  - [  -0.0007083700000000, -0.0000240200000000, -0.0001197800000000 ]  - [  -0.0007038700000000, -0.0000159200000000, -0.0001151100000000 ]  - [  -0.0007604500000000, -0.0014674300000000, -0.0012757800000000 ]  - [  -0.0004250500000000,  0.0015209100000000, -0.0011975100000000 ]  - [   0.0007083700000000, -0.0000225300000000,  0.0001213700000000 ]  - [   0.0007030300000000, -0.0000213400000000,  0.0001195000000000 ]  - [   0.0005480300000000,  0.0000442500000000,  0.0002250100000000 ]  - [   0.0006303700000000,  0.0000023100000000,  0.0002549900000000 ]  - [   0.0007121000000000, -0.0000259200000000,  0.0001440700000000 ]  - [   0.0007087500000000, -0.0000248800000000,  0.0001429700000000 ]- atom:   49  displacement:    [   0.0031358584632606,  0.0000000000000000, -0.0094955985434514 ]  forces:  - [  -0.0000484200000000,  0.0015580800000000,  0.0000068500000000 ]  - [   0.0000020100000000,  0.0015997800000000,  0.0000232800000000 ]  - [  -0.0000041400000000,  0.0016305400000000, -0.0000022000000000 ]  - [   0.0000005400000000,  0.0016205800000000,  0.0000069700000000 ]  - [  -0.0002901600000000,  0.0013402600000000, -0.0004096400000000 ]  - [   0.0000116800000000,  0.0015828100000000, -0.0001212700000000 ]  - [  -0.0002019700000000,  0.0016411100000000, -0.0001744500000000 ]  - [  -0.0000152400000000,  0.0017056800000000, -0.0000438900000000 ]  - [  -0.0004398800000000, -0.0013637700000000, -0.0001313200000000 ]  - [  -0.0001265400000000, -0.0019115100000000, -0.0001344400000000 ]  - [  -0.0000014500000000, -0.0015789000000000, -0.0000002500000000 ]  - [   0.0000002100000000, -0.0015739100000000, -0.0000020900000000 ]  - [  -0.0033895100000000, -0.0128055300000000, -0.0225575900000000 ]  - [   0.0003696600000000, -0.0016326800000000, -0.0002958800000000 ]  - [   0.0000021300000000, -0.0015289300000000, -0.0000082900000000 ]  - [  -0.0000029500000000, -0.0015608500000000,  0.0000001500000000 ]  - [   0.0000670900000000,  0.0016555000000000,  0.0002902600000000 ]  - [  -0.0000329900000000,  0.0016006700000000,  0.0000000500000000 ]  - [  -0.0000080200000000,  0.0016488500000000,  0.0000032300000000 ]  - [  -0.0000027200000000,  0.0016438200000000,  0.0000016400000000 ]  - [   0.0310527700000000,  0.0018767800000000, -0.0323273800000000 ]  - [  -0.0007579300000000,  0.0016517200000000, -0.0002147300000000 ]  - [   0.0000002900000000,  0.0016669200000000,  0.0000022800000000 ]  - [   0.0000017000000000,  0.0016741100000000,  0.0000046600000000 ]  - [   0.0000122800000000, -0.0015978900000000, -0.0000035300000000 ]  - [  -0.0000088200000000, -0.0015821000000000, -0.0000022700000000 ]  - [   0.0002027900000000, -0.0017119400000000, -0.0000486900000000 ]  - [  -0.0000159300000000, -0.0015871400000000, -0.0000023000000000 ]  - [   0.0000158100000000, -0.0015085200000000,  0.0000079600000000 ]  - [  -0.0000130600000000, -0.0015172700000000, -0.0000443100000000 ]  - [   0.0002318200000000, -0.0008740200000000, -0.0002085300000000 ]  - [   0.0003113600000000, -0.0015446700000000, -0.0004623900000000 ]  - [  -0.0004534000000000, -0.0002155000000000, -0.0009935700000000 ]  - [  -0.0004670300000000, -0.0000222900000000, -0.0006227500000000 ]  - [  -0.0004618700000000, -0.0000264800000000, -0.0006344100000000 ]  - [  -0.0004641900000000, -0.0000116400000000, -0.0006283200000000 ]  - [   0.0004612400000000,  0.0019040800000000, -0.0035575400000000 ]  - [  -0.0003838400000000,  0.0000517400000000, -0.0004606000000000 ]  - [  -0.0004781300000000, -0.0000436500000000, -0.0006295600000000 ]  - [  -0.0004585700000000, -0.0000165100000000, -0.0006278600000000 ]  - [   0.0007145600000000, -0.0003504100000000,  0.0011423600000000 ]  - [   0.0000724300000000,  0.0007596900000000,  0.0024106700000000 ]  - [   0.0004809000000000, -0.0000422900000000,  0.0006393700000000 ]  - [   0.0004584700000000, -0.0000176700000000,  0.0006136300000000 ]  - [   0.0004932300000000,  0.0000187800000000,  0.0006543500000000 ]  - [   0.0003654400000000,  0.0000782900000000,  0.0005765300000000 ]  - [   0.0004693700000000, -0.0000226900000000,  0.0006426200000000 ]  - [   0.0004637300000000, -0.0000149700000000,  0.0006322500000000 ]  - [  -0.0368235900000000,  0.0191357800000000,  0.0666222300000000 ]  - [   0.0009193100000000, -0.0000265700000000, -0.0000433900000000 ]  - [   0.0006947600000000,  0.0000080600000000,  0.0001090800000000 ]  - [   0.0007101200000000,  0.0000213200000000,  0.0001230300000000 ]  - [   0.0007503400000000,  0.0000349900000000,  0.0000954400000000 ]  - [   0.0007322800000000,  0.0000541200000000,  0.0001902400000000 ]  - [   0.0007130600000000,  0.0000285900000000,  0.0001437800000000 ]  - [   0.0007100100000000,  0.0000266900000000,  0.0001424000000000 ]  - [  -0.0006987400000000, -0.0000324900000000, -0.0001118500000000 ]  - [  -0.0011461300000000,  0.0001242700000000, -0.0005623700000000 ]  - [  -0.0007112600000000,  0.0000269900000000, -0.0001430500000000 ]  - [  -0.0007110600000000,  0.0000270500000000, -0.0001433800000000 ]  - [  -0.0022692200000000, -0.0003020700000000, -0.0023890300000000 ]  - [   0.0070922700000000,  0.0005982000000000, -0.0030120500000000 ]  - [  -0.0007038700000000,  0.0000147100000000, -0.0001147300000000 ]  - [  -0.0007077900000000,  0.0000237100000000, -0.0001249400000000 ]  - [  -0.0007007200000000, -0.0000115900000000, -0.0001548300000000 ]  - [  -0.0007283400000000, -0.0000153900000000, -0.0001590100000000 ]  - [  -0.0007215700000000, -0.0000400600000000, -0.0001487700000000 ]  - [  -0.0007751800000000, -0.0000345200000000, -0.0001290400000000 ]  - [  -0.0005152800000000,  0.0000835200000000,  0.0001254600000000 ]  - [  -0.0007055600000000, -0.0000880100000000, -0.0002303000000000 ]  - [  -0.0008481800000000,  0.0000179400000000, -0.0001715700000000 ]  - [  -0.0007338100000000, -0.0000614700000000, -0.0001049900000000 ]  - [   0.0009139400000000, -0.0004249100000000,  0.0005114300000000 ]  - [   0.0007311300000000, -0.0000149500000000,  0.0001383400000000 ]  - [   0.0008408200000000, -0.0000623900000000,  0.0005536800000000 ]  - [   0.0006582900000000, -0.0000458400000000,  0.0002218600000000 ]  - [   0.0007094800000000, -0.0000177000000000,  0.0001502000000000 ]  - [   0.0007303200000000, -0.0000160800000000,  0.0001449500000000 ]  - [   0.0007213900000000, -0.0000418300000000,  0.0001509500000000 ]  - [   0.0007169400000000, -0.0000436000000000,  0.0001555900000000 ]  - [  -0.0004931200000000,  0.0000045400000000, -0.0006385300000000 ]  - [  -0.0004401800000000,  0.0000330200000000, -0.0005940400000000 ]  - [  -0.0004707400000000, -0.0000202200000000, -0.0006374100000000 ]  - [  -0.0004802600000000, -0.0000182500000000, -0.0006416700000000 ]  - [  -0.0041281000000000, -0.0042508100000000, -0.0009887700000000 ]  - [  -0.0003017000000000,  0.0001538100000000, -0.0005493500000000 ]  - [  -0.0004161300000000, -0.0000902400000000, -0.0005631800000000 ]  - [  -0.0004624600000000, -0.0000329200000000, -0.0006426800000000 ]  - [   0.0011045800000000, -0.0004033400000000,  0.0019945700000000 ]  - [   0.0008407800000000, -0.0007052000000000,  0.0012920600000000 ]  - [   0.0004805100000000, -0.0000088000000000,  0.0006652600000000 ]  - [   0.0004794400000000, -0.0000314300000000,  0.0006475600000000 ]  - [   0.0005042600000000,  0.0000195700000000,  0.0006569400000000 ]  - [   0.0004343000000000,  0.0000867800000000,  0.0006178200000000 ]  - [   0.0004779100000000, -0.0000225400000000,  0.0006380200000000 ]  - [   0.0004755400000000, -0.0000183900000000,  0.0006454100000000 ]  - [   0.0007101200000000,  0.0000061300000000,  0.0000641200000000 ]  - [   0.0006837100000000,  0.0000143400000000,  0.0001787100000000 ]  - [   0.0007445700000000,  0.0001527400000000,  0.0001993200000000 ]  - [   0.0006920000000000, -0.0001583800000000,  0.0000591900000000 ]  - [   0.0007219700000000,  0.0000233100000000,  0.0001468600000000 ]  - [   0.0007097900000000,  0.0000174300000000,  0.0001521100000000 ]  - [   0.0007035400000000,  0.0000407400000000,  0.0001500000000000 ]  - [   0.0007019200000000,  0.0000050100000000,  0.0001398700000000 ]  - [  -0.0007003500000000,  0.0000192700000000, -0.0001527100000000 ]  - [  -0.0007115900000000,  0.0000225000000000, -0.0001622500000000 ]  - [  -0.0007538200000000,  0.0000973900000000, -0.0001702200000000 ]  - [  -0.0006976200000000,  0.0000346500000000, -0.0001575900000000 ]  - [  -0.0007586900000000, -0.0000148000000000, -0.0001575400000000 ]  - [  -0.0008049200000000,  0.0000518700000000, -0.0000190400000000 ]  - [  -0.0006130900000000, -0.0001520500000000, -0.0001102500000000 ]  - [  -0.0007259600000000, -0.0001189900000000,  0.0000078700000000 ]  - [   0.0000581400000000,  0.0002908400000000, -0.0011339500000000 ]  - [  -0.0006299400000000, -0.0000259300000000, -0.0001808000000000 ]  - [  -0.0007268700000000, -0.0000360200000000, -0.0001637800000000 ]  - [  -0.0007254600000000, -0.0000365700000000, -0.0001671700000000 ]  - [   0.0018137300000000, -0.0054493500000000, -0.0083966400000000 ]  - [  -0.0011041200000000, -0.0000992900000000,  0.0003140400000000 ]  - [  -0.0007290000000000, -0.0000385200000000, -0.0001889900000000 ]  - [  -0.0007335400000000, -0.0000465400000000, -0.0001937600000000 ]  - [   0.0021866000000000,  0.0013977500000000,  0.0015905900000000 ]  - [   0.0018800500000000, -0.0015586400000000,  0.0014569400000000 ]  - [   0.0007295100000000, -0.0000399000000000,  0.0001885000000000 ]  - [   0.0007349700000000, -0.0000411100000000,  0.0001901600000000 ]  - [   0.0008976800000000, -0.0001073000000000,  0.0000818000000000 ]  - [   0.0008081000000000, -0.0000646400000000,  0.0000551000000000 ]  - [   0.0007258400000000, -0.0000365300000000,  0.0001659100000000 ]  - [   0.0007291700000000, -0.0000375200000000,  0.0001671100000000 ]