# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2b9b3fb4-448d-40c5-8027-6387b9d0d5bf/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 Rb6Br4O / R-3c (167) / materials id 30005](https://mdr.nims.go.jp/datasets/f0d23a83-3bd8-47af-9e5a-d1db04df6294)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.520782746666673,     3.764775673333330,     5.494584636666661 ] # a  - [    -6.520782743333327,     3.764775673333330,     5.494584636666661 ] # b  - [    -0.000000003333328,    -7.529551346666670,     5.494584636666661 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.221905980000000,  0.558537080000000,  0.430684160000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.430684160000000,  0.221905990000000,  0.558537070000000 ]    mass: 85.467800  - symbol: Rb # 3    coordinates: [  0.558537070000000,  0.430684170000000,  0.221905980000000 ]    mass: 85.467800  - symbol: Rb # 4    coordinates: [  0.941462930000000,  0.278094020000000,  0.069315840000000 ]    mass: 85.467800  - symbol: Rb # 5    coordinates: [  0.069315840000000,  0.941462920000000,  0.278094030000000 ]    mass: 85.467800  - symbol: Rb # 6    coordinates: [  0.278094030000000,  0.069315830000000,  0.941462930000000 ]    mass: 85.467800  - symbol: Rb # 7    coordinates: [  0.778094020000000,  0.441462910000001,  0.569315840000000 ]    mass: 85.467800  - symbol: Rb # 8    coordinates: [  0.569315840000000,  0.778094010000001,  0.441462920000000 ]    mass: 85.467800  - symbol: Rb # 9    coordinates: [  0.441462920000000,  0.569315830000001,  0.778094020000000 ]    mass: 85.467800  - symbol: Rb # 10    coordinates: [  0.058537080000000,  0.721905990000001,  0.930684160000000 ]    mass: 85.467800  - symbol: Rb # 11    coordinates: [  0.930684160000000,  0.058537090000001,  0.721905980000000 ]    mass: 85.467800  - symbol: Rb # 12    coordinates: [  0.721905980000000,  0.930684170000001,  0.058537080000000 ]    mass: 85.467800  - symbol: Br # 13    coordinates: [  0.876023770000000,  0.623976230000001,  0.250000000000000 ]    mass: 79.904000  - symbol: Br # 14    coordinates: [  0.250000000000000,  0.876023770000001,  0.623976230000000 ]    mass: 79.904000  - symbol: Br # 15    coordinates: [  0.623976230000000,  0.250000000000001,  0.876023770000000 ]    mass: 79.904000  - symbol: Br # 16    coordinates: [  0.123976220000000,  0.376023770000000,  0.750000000000000 ]    mass: 79.904000  - symbol: Br # 17    coordinates: [  0.750000000000000,  0.123976220000000,  0.376023770000000 ]    mass: 79.904000  - symbol: Br # 18    coordinates: [  0.376023770000000,  0.750000000000000,  0.123976220000000 ]    mass: 79.904000  - symbol: Br # 19    coordinates: [  0.250000000000000,  0.250000010000003,  0.250000000000000 ]    mass: 79.904000  - symbol: Br # 20    coordinates: [  0.750000000000000,  0.750000010000001,  0.750000000000000 ]    mass: 79.904000  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.076677911157735,     0.044270012611748,     0.060665792844271 ] # a*  - [    -0.076677911157735,     0.044270012679639,     0.060665792844271 ] # b*  - [    -0.000000000000000,    -0.088540025291387,     0.060665792844271 ] # c*unit_cell:  lattice:  - [    13.041565490000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.520782740000000,    11.294327020000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.483753910000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.151530240000000,  0.639691580000000,  0.070375740000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.360308420000000,  0.511838670000000,  0.070375740000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.488161330000000,  0.848469760000000,  0.070375740000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.845172000000000,  0.026975090000000,  0.096290930000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 5    coordinates: [  0.973024910000000,  0.818196900000000,  0.096290930000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 6    coordinates: [  0.181803100000000,  0.154828000000000,  0.096290930000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 7    coordinates: [  0.515136430000000,  0.693641750000000,  0.262957590000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 8    coordinates: [  0.306358250000000,  0.821494670000000,  0.262957590000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 9    coordinates: [  0.178505330000000,  0.484863570000000,  0.262957590000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.821494670000000,  0.306358250000000,  0.237042410000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 11    coordinates: [  0.693641750000000,  0.515136430000000,  0.237042410000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 12    coordinates: [  0.484863570000000,  0.178505330000000,  0.237042410000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Rb # 13    coordinates: [  0.818196900000000,  0.973024910000000,  0.403709070000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 14    coordinates: [  0.026975090000000,  0.845172000000000,  0.403709070000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 15    coordinates: [  0.154828000000000,  0.181803100000000,  0.403709070000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 16    coordinates: [  0.511838670000000,  0.360308420000000,  0.429624260000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 17    coordinates: [  0.639691580000000,  0.151530240000000,  0.429624260000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 18    coordinates: [  0.848469760000000,  0.488161330000000,  0.429624260000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 19    coordinates: [  0.181803100000000,  0.026975090000000,  0.596290930000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 20    coordinates: [  0.973024910000000,  0.154828000000000,  0.596290930000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 21    coordinates: [  0.845172000000000,  0.818196900000000,  0.596290930000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 22    coordinates: [  0.488161330000000,  0.639691580000000,  0.570375740000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 23    coordinates: [  0.360308420000000,  0.848469760000000,  0.570375740000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 24    coordinates: [  0.151530240000000,  0.511838670000000,  0.570375740000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Rb # 25    coordinates: [  0.484863570000000,  0.306358250000000,  0.737042410000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.693641750000000,  0.178505330000000,  0.737042410000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 27    coordinates: [  0.821494670000000,  0.515136430000000,  0.737042410000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 28    coordinates: [  0.178505330000000,  0.693641750000000,  0.762957590000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 29    coordinates: [  0.306358250000000,  0.484863570000000,  0.762957590000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 30    coordinates: [  0.515136430000000,  0.821494670000000,  0.762957590000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 31    coordinates: [  0.848469760000000,  0.360308420000000,  0.929624260000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 32    coordinates: [  0.639691580000000,  0.488161330000000,  0.929624260000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 33    coordinates: [  0.511838670000000,  0.151530240000000,  0.929624260000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 34    coordinates: [  0.154828000000000,  0.973024910000000,  0.903709070000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 35    coordinates: [  0.026975090000000,  0.181803100000000,  0.903709070000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 36    coordinates: [  0.818196900000000,  0.845172000000000,  0.903709070000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Br # 37    coordinates: [  0.626023770000000,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 38    coordinates: [  0.000000000000000,  0.626023770000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 39    coordinates: [  0.373976230000000,  0.373976230000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 40    coordinates: [  0.040642890000000,  0.333333330000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 41    coordinates: [  0.666666670000000,  0.707309560000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.292690440000000,  0.959357110000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 43    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 44    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 45    coordinates: [  0.292690440000000,  0.333333330000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 46    coordinates: [  0.666666670000000,  0.959357110000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 47    coordinates: [  0.040642890000000,  0.707309560000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 48    coordinates: [  0.707309560000000,  0.666666670000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 49    coordinates: [  0.333333330000000,  0.040642890000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 50    coordinates: [  0.959357110000000,  0.292690440000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 51    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 52    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 53    coordinates: [  0.959357110000000,  0.666666670000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 54    coordinates: [  0.333333330000000,  0.292690440000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 55    coordinates: [  0.707309560000000,  0.040642890000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 56    coordinates: [  0.373976230000000,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 57    coordinates: [  0.000000000000000,  0.373976230000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 58    coordinates: [  0.626023770000000,  0.626023770000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 59    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 60    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 44  - symbol: O  # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 66    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 62supercell:  lattice:  - [    13.041565490000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.520782740000000,    11.294327020000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.483753910000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.151530240000000,  0.639691580000000,  0.070375740000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.360308420000000,  0.511838670000000,  0.070375740000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.488161330000000,  0.848469760000000,  0.070375740000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.845172000000000,  0.026975090000000,  0.096290930000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 5    coordinates: [  0.973024910000000,  0.818196900000000,  0.096290930000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 6    coordinates: [  0.181803100000000,  0.154828000000000,  0.096290930000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 7    coordinates: [  0.515136430000000,  0.693641750000000,  0.262957590000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 8    coordinates: [  0.306358250000000,  0.821494670000000,  0.262957590000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 9    coordinates: [  0.178505330000000,  0.484863570000000,  0.262957590000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.821494670000000,  0.306358250000000,  0.237042410000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 11    coordinates: [  0.693641750000000,  0.515136430000000,  0.237042410000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 12    coordinates: [  0.484863570000000,  0.178505330000000,  0.237042410000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Rb # 13    coordinates: [  0.818196900000000,  0.973024910000000,  0.403709070000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 14    coordinates: [  0.026975090000000,  0.845172000000000,  0.403709070000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 15    coordinates: [  0.154828000000000,  0.181803100000000,  0.403709070000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 16    coordinates: [  0.511838670000000,  0.360308420000000,  0.429624260000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 17    coordinates: [  0.639691580000000,  0.151530240000000,  0.429624260000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 18    coordinates: [  0.848469760000000,  0.488161330000000,  0.429624260000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 19    coordinates: [  0.181803100000000,  0.026975090000000,  0.596290930000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 20    coordinates: [  0.973024910000000,  0.154828000000000,  0.596290930000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 21    coordinates: [  0.845172000000000,  0.818196900000000,  0.596290930000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 22    coordinates: [  0.488161330000000,  0.639691580000000,  0.570375740000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 23    coordinates: [  0.360308420000000,  0.848469760000000,  0.570375740000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 24    coordinates: [  0.151530240000000,  0.511838670000000,  0.570375740000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Rb # 25    coordinates: [  0.484863570000000,  0.306358250000000,  0.737042410000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.693641750000000,  0.178505330000000,  0.737042410000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 27    coordinates: [  0.821494670000000,  0.515136430000000,  0.737042410000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 28    coordinates: [  0.178505330000000,  0.693641750000000,  0.762957590000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Rb # 29    coordinates: [  0.306358250000000,  0.484863570000000,  0.762957590000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 30    coordinates: [  0.515136430000000,  0.821494670000000,  0.762957590000000 ]    mass: 85.467800    reduced_to: 6  - symbol: Rb # 31    coordinates: [  0.848469760000000,  0.360308420000000,  0.929624260000000 ]    mass: 85.467800    reduced_to: 7  - symbol: Rb # 32    coordinates: [  0.639691580000000,  0.488161330000000,  0.929624260000000 ]    mass: 85.467800    reduced_to: 8  - symbol: Rb # 33    coordinates: [  0.511838670000000,  0.151530240000000,  0.929624260000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 34    coordinates: [  0.154828000000000,  0.973024910000000,  0.903709070000000 ]    mass: 85.467800    reduced_to: 10  - symbol: Rb # 35    coordinates: [  0.026975090000000,  0.181803100000000,  0.903709070000000 ]    mass: 85.467800    reduced_to: 11  - symbol: Rb # 36    coordinates: [  0.818196900000000,  0.845172000000000,  0.903709070000000 ]    mass: 85.467800    reduced_to: 12  - symbol: Br # 37    coordinates: [  0.626023770000000,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 38    coordinates: [  0.000000000000000,  0.626023770000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 39    coordinates: [  0.373976230000000,  0.373976230000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 40    coordinates: [  0.040642890000000,  0.333333330000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 41    coordinates: [  0.666666670000000,  0.707309560000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.292690440000000,  0.959357110000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 43    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 44    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 45    coordinates: [  0.292690440000000,  0.333333330000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 46    coordinates: [  0.666666670000000,  0.959357110000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 47    coordinates: [  0.040642890000000,  0.707309560000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 48    coordinates: [  0.707309560000000,  0.666666670000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 49    coordinates: [  0.333333330000000,  0.040642890000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 50    coordinates: [  0.959357110000000,  0.292690440000000,  0.416666670000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 51    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 52    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 53    coordinates: [  0.959357110000000,  0.666666670000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 54    coordinates: [  0.333333330000000,  0.292690440000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 55    coordinates: [  0.707309560000000,  0.040642890000000,  0.916666670000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 56    coordinates: [  0.373976230000000,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 57    coordinates: [  0.000000000000000,  0.373976230000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 58    coordinates: [  0.626023770000000,  0.626023770000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 59    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 60    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 79.904000    reduced_to: 44  - symbol: O  # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 66    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 62displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0240695500000000, -0.0006146300000000, -0.0026939100000000 ]  - [   0.0039817500000000, -0.0020147900000000, -0.0002932300000000 ]  - [   0.0025254300000000,  0.0028494100000000, -0.0002801600000000 ]  - [   0.0010423900000000, -0.0001144300000000, -0.0000507000000000 ]  - [   0.0019097800000000, -0.0014374000000000, -0.0001357400000000 ]  - [  -0.0004314600000000, -0.0009730300000000, -0.0000600600000000 ]  - [   0.0004315100000000,  0.0000984100000000,  0.0008734600000000 ]  - [  -0.0007640500000000,  0.0004063000000000,  0.0013967700000000 ]  - [  -0.0003881500000000, -0.0006266700000000,  0.0020597300000000 ]  - [  -0.0007582600000000,  0.0006650200000000, -0.0002916900000000 ]  - [   0.0008431300000000, -0.0004943800000000, -0.0001950100000000 ]  - [   0.0004561500000000,  0.0006436100000000, -0.0001656300000000 ]  - [   0.0008009000000000,  0.0000768900000000,  0.0000113900000000 ]  - [  -0.0003126200000000,  0.0002918900000000, -0.0002618200000000 ]  - [  -0.0003120200000000, -0.0007685400000000,  0.0000305200000000 ]  - [   0.0008044100000000, -0.0000575100000000,  0.0000719600000000 ]  - [  -0.0002912400000000,  0.0007429400000000,  0.0000641400000000 ]  - [  -0.0002951900000000, -0.0003636000000000, -0.0002053200000000 ]  - [  -0.0007100000000000, -0.0001237100000000,  0.0000749000000000 ]  - [   0.0003995200000000, -0.0005527100000000,  0.0000899200000000 ]  - [   0.0003323100000000,  0.0005917900000000,  0.0000908900000000 ]  - [  -0.0005385100000000,  0.0000562300000000, -0.0000037900000000 ]  - [   0.0001963200000000, -0.0005527100000000,  0.0000165800000000 ]  - [   0.0002706800000000,  0.0004820100000000,  0.0000108900000000 ]  - [   0.0007964300000000,  0.0001041400000000, -0.0000019900000000 ]  - [  -0.0004290200000000,  0.0006953600000000,  0.0000289600000000 ]  - [  -0.0001706200000000, -0.0003690500000000,  0.0003806200000000 ]  - [  -0.0001376100000000, -0.0000533100000000,  0.0001181500000000 ]  - [  -0.0001879000000000,  0.0003670900000000, -0.0003413600000000 ]  - [  -0.0001972300000000, -0.0003412600000000, -0.0003163600000000 ]  - [  -0.0004376000000000,  0.0010879600000000,  0.0007127100000000 ]  - [   0.0010556400000000, -0.0003889300000000,  0.0000085500000000 ]  - [   0.0002912100000000,  0.0008290200000000,  0.0000746700000000 ]  - [  -0.0007537800000000, -0.0006161400000000,  0.0002114500000000 ]  - [   0.0002865300000000, -0.0008089700000000, -0.0000799500000000 ]  - [   0.0009597300000000,  0.0003485300000000, -0.0000096800000000 ]  - [  -0.0002791000000000, -0.0004054500000000, -0.0002306300000000 ]  - [   0.0016845900000000, -0.0000851500000000, -0.0008490500000000 ]  - [  -0.0002686100000000,  0.0004312300000000, -0.0002599500000000 ]  - [   0.0013937900000000, -0.0004766700000000,  0.0002439200000000 ]  - [  -0.0010662200000000,  0.0000342200000000,  0.0000734800000000 ]  - [   0.0010665600000000, -0.0000392400000000,  0.0001841900000000 ]  - [   0.0040921800000000,  0.0004721600000000, -0.0031130100000000 ]  - [   0.0000597200000000, -0.0000252300000000, -0.0003428900000000 ]  - [  -0.0001817100000000,  0.0000579000000000,  0.0000030700000000 ]  - [   0.0000293800000000, -0.0001875300000000,  0.0000106000000000 ]  - [   0.0001743900000000,  0.0001723000000000, -0.0000129500000000 ]  - [  -0.0000698200000000,  0.0000276500000000, -0.0000064500000000 ]  - [   0.0000023000000000,  0.0000570500000000, -0.0000877900000000 ]  - [   0.0000925000000000, -0.0001124200000000, -0.0000764700000000 ]  - [  -0.0001513800000000,  0.0002926600000000,  0.0001756700000000 ]  - [  -0.0000711500000000,  0.0001404700000000, -0.0001161900000000 ]  - [   0.0000247300000000,  0.0000884300000000, -0.0004494100000000 ]  - [  -0.0001631000000000,  0.0002250400000000,  0.0001831500000000 ]  - [  -0.0001142800000000, -0.0002183600000000,  0.0001857200000000 ]  - [   0.0002603500000000, -0.0000865100000000, -0.0000127600000000 ]  - [   0.0001602200000000,  0.0001084000000000, -0.0001030900000000 ]  - [  -0.0003882200000000, -0.0001091000000000, -0.0000503600000000 ]  - [  -0.0000550600000000, -0.0000997300000000, -0.0000603500000000 ]  - [  -0.0004416900000000, -0.0004955700000000,  0.0000993400000000 ]  - [  -0.0004946000000000,  0.0009980300000000, -0.0002260800000000 ]  - [   0.0090156000000000,  0.0007393400000000,  0.0037642900000000 ]  - [  -0.0002177900000000, -0.0003041000000000,  0.0001520900000000 ]  - [  -0.0000797000000000,  0.0001554900000000,  0.0000056700000000 ]  - [   0.0002056800000000, -0.0000136400000000,  0.0002667400000000 ]  - [  -0.0004185600000000, -0.0004065300000000, -0.0002903800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0249177600000000,  0.0006577800000000,  0.0024127000000000 ]  - [  -0.0047207200000000,  0.0030511100000000,  0.0002238800000000 ]  - [  -0.0030448600000000, -0.0040247500000000,  0.0002119000000000 ]  - [   0.0002752900000000, -0.0000237800000000,  0.0001134500000000 ]  - [  -0.0024630000000000,  0.0026714900000000,  0.0001989700000000 ]  - [  -0.0003510700000000, -0.0000966100000000,  0.0001226300000000 ]  - [  -0.0017418700000000, -0.0002352400000000, -0.0008032700000000 ]  - [   0.0015350300000000, -0.0014825500000000, -0.0013415400000000 ]  - [   0.0009156000000000,  0.0018367600000000, -0.0019980900000000 ]  - [  -0.0005605900000000, -0.0005264000000000,  0.0002331000000000 ]  - [  -0.0003030200000000, -0.0007208800000000,  0.0001397000000000 ]  - [   0.0003248400000000,  0.0004296400000000,  0.0001067900000000 ]  - [   0.0005184200000000,  0.0000651600000000, -0.0000725900000000 ]  - [  -0.0004697300000000,  0.0007787200000000,  0.0002002500000000 ]  - [  -0.0002242300000000, -0.0004453000000000, -0.0000915700000000 ]  - [   0.0005171100000000, -0.0000846900000000, -0.0000108700000000 ]  - [  -0.0002463700000000,  0.0004728800000000, -0.0000035400000000 ]  - [  -0.0004888200000000, -0.0007089000000000,  0.0002658000000000 ]  - [  -0.0006091000000000, -0.0000184200000000, -0.0000125700000000 ]  - [   0.0003827400000000, -0.0005179300000000, -0.0000273400000000 ]  - [   0.0002037600000000,  0.0006215600000000, -0.0000286800000000 ]  - [  -0.0007814800000000,  0.0000854200000000, -0.0000569800000000 ]  - [   0.0003411300000000, -0.0006615800000000, -0.0000770300000000 ]  - [   0.0005122900000000,  0.0005898500000000, -0.0000713000000000 ]  - [   0.0005183500000000,  0.0000338400000000, -0.0000623200000000 ]  - [  -0.0003475000000000,  0.0003735700000000, -0.0000933300000000 ]  - [  -0.0003663800000000, -0.0008385200000000, -0.0004448700000000 ]  - [   0.0014585800000000, -0.0000861700000000, -0.0000540700000000 ]  - [  -0.0003528500000000,  0.0008474700000000,  0.0004023400000000 ]  - [  -0.0005838300000000, -0.0007336300000000,  0.0003772800000000 ]  - [  -0.0008708400000000, -0.0012301600000000, -0.0006487000000000 ]  - [  -0.0002764900000000, -0.0006791700000000,  0.0000539200000000 ]  - [   0.0002424100000000,  0.0003783400000000, -0.0000098300000000 ]  - [  -0.0005605900000000,  0.0007584600000000, -0.0002748600000000 ]  - [   0.0002482300000000, -0.0004010700000000,  0.0000179900000000 ]  - [  -0.0001783300000000,  0.0007210900000000, -0.0000553500000000 ]  - [   0.0000100800000000,  0.0004032000000000,  0.0002288400000000 ]  - [  -0.0015759800000000, -0.0001497200000000,  0.0008999800000000 ]  - [   0.0004010300000000, -0.0001991900000000,  0.0002568900000000 ]  - [  -0.0010933000000000,  0.0004564300000000, -0.0002411200000000 ]  - [   0.0009340700000000,  0.0002357800000000, -0.0000736200000000 ]  - [  -0.0012332700000000, -0.0002113600000000, -0.0001822900000000 ]  - [  -0.0039952300000000, -0.0004513900000000,  0.0029884300000000 ]  - [  -0.0000616200000000,  0.0000219900000000,  0.0003422800000000 ]  - [  -0.0001185100000000, -0.0000806400000000, -0.0000035200000000 ]  - [   0.0001390300000000, -0.0000621200000000, -0.0000111500000000 ]  - [  -0.0000444100000000,  0.0000970900000000,  0.0000124700000000 ]  - [   0.0003703400000000, -0.0000051200000000,  0.0000060600000000 ]  - [  -0.0001704700000000,  0.0001922100000000,  0.0000866300000000 ]  - [  -0.0002222300000000, -0.0001563000000000,  0.0000761100000000 ]  - [   0.0001536300000000, -0.0002914600000000, -0.0001776600000000 ]  - [   0.0000693500000000, -0.0001443800000000,  0.0001170600000000 ]  - [  -0.0003689800000000, -0.0000621400000000,  0.0004127600000000 ]  - [   0.0002938700000000, -0.0004951300000000, -0.0001806900000000 ]  - [   0.0002814500000000,  0.0004642200000000, -0.0001839400000000 ]  - [   0.0000076000000000,  0.0000878600000000,  0.0000122100000000 ]  - [  -0.0002941500000000,  0.0001237100000000,  0.0001016900000000 ]  - [   0.0002561000000000, -0.0001210400000000,  0.0000503400000000 ]  - [   0.0000567300000000,  0.0001029900000000,  0.0000604500000000 ]  - [   0.0004413400000000,  0.0004965100000000, -0.0000984600000000 ]  - [   0.0004958500000000, -0.0010056900000000,  0.0002308100000000 ]  - [  -0.0086105700000000, -0.0006754500000000, -0.0034350500000000 ]  - [   0.0002168100000000,  0.0003051800000000, -0.0001526900000000 ]  - [   0.0000796200000000, -0.0001558300000000, -0.0000062800000000 ]  - [  -0.0002053500000000,  0.0000143300000000, -0.0002703000000000 ]  - [   0.0004172700000000,  0.0004080500000000,  0.0002917400000000 ]- atom:    1  displacement:    [  -0.0049999999969448,  0.0086602540396083,  0.0000000000000000 ]  forces:  - [   0.0123358400000000, -0.0108171400000000,  0.0010471700000000 ]  - [  -0.0043902800000000,  0.0014399400000000,  0.0001731500000000 ]  - [   0.0009519000000000, -0.0013466100000000, -0.0000224100000000 ]  - [   0.0005034800000000,  0.0005175000000000,  0.0000499300000000 ]  - [  -0.0026614100000000,  0.0017584100000000,  0.0001811700000000 ]  - [  -0.0011227200000000,  0.0003051900000000,  0.0000974200000000 ]  - [  -0.0010642200000000, -0.0002947400000000, -0.0002834500000000 ]  - [   0.0014490600000000, -0.0006904700000000,  0.0015867800000000 ]  - [  -0.0001324200000000,  0.0011262000000000, -0.0028441100000000 ]  - [  -0.0000137600000000,  0.0000607300000000, -0.0005016600000000 ]  - [   0.0000504900000000, -0.0007078000000000,  0.0000140200000000 ]  - [   0.0005652700000000,  0.0009475300000000,  0.0003266900000000 ]  - [   0.0006195500000000,  0.0001011500000000, -0.0000250200000000 ]  - [  -0.0004673400000000,  0.0006028900000000,  0.0001021400000000 ]  - [  -0.0003013100000000, -0.0004492700000000, -0.0000985000000000 ]  - [   0.0005741400000000, -0.0000378200000000,  0.0000018300000000 ]  - [  -0.0002052600000000,  0.0006150100000000,  0.0000289000000000 ]  - [  -0.0004117700000000, -0.0006378100000000,  0.0001005900000000 ]  - [  -0.0006797800000000, -0.0000413000000000,  0.0000038200000000 ]  - [   0.0003587400000000, -0.0004796300000000,  0.0000091500000000 ]  - [   0.0002359500000000,  0.0006123900000000, -0.0000030200000000 ]  - [  -0.0007002000000000,  0.0000694700000000, -0.0000553200000000 ]  - [   0.0003167900000000, -0.0006539000000000, -0.0000551100000000 ]  - [   0.0004122100000000,  0.0004990200000000, -0.0000624600000000 ]  - [   0.0005935000000000,  0.0000846700000000, -0.0000478200000000 ]  - [  -0.0003120500000000,  0.0005295600000000, -0.0000243400000000 ]  - [  -0.0002897400000000, -0.0007913900000000, -0.0002026900000000 ]  - [   0.0010374700000000, -0.0002241200000000, -0.0001409000000000 ]  - [  -0.0003586500000000,  0.0006423300000000,  0.0002370500000000 ]  - [  -0.0004192800000000, -0.0005960300000000,  0.0001566100000000 ]  - [   0.0002377700000000, -0.0001922300000000,  0.0006226700000000 ]  - [   0.0001127800000000, -0.0006666000000000,  0.0000761200000000 ]  - [   0.0005214000000000,  0.0009891600000000, -0.0003121700000000 ]  - [  -0.0011250600000000,  0.0007050900000000, -0.0006603500000000 ]  - [   0.0000477800000000, -0.0000702000000000,  0.0003462700000000 ]  - [   0.0000606600000000,  0.0006544600000000, -0.0000841400000000 ]  - [  -0.0003225300000000, -0.0000041000000000, -0.0000115400000000 ]  - [  -0.0007225800000000,  0.0006088100000000,  0.0004240300000000 ]  - [   0.0004371200000000, -0.0001215600000000,  0.0002049100000000 ]  - [  -0.0008387700000000,  0.0028849500000000, -0.0003401000000000 ]  - [   0.0004417100000000,  0.0003341000000000, -0.0000376700000000 ]  - [  -0.0004870500000000,  0.0009473100000000,  0.0000236400000000 ]  - [  -0.0016550400000000,  0.0004218900000000,  0.0011771700000000 ]  - [  -0.0000520800000000,  0.0002266300000000,  0.0001390900000000 ]  - [  -0.0001198000000000, -0.0000457900000000,  0.0000074300000000 ]  - [   0.0000924800000000, -0.0001100500000000, -0.0000090800000000 ]  - [   0.0000234100000000,  0.0001419700000000,  0.0000194800000000 ]  - [   0.0002376800000000,  0.0000235000000000,  0.0000122500000000 ]  - [  -0.0000844500000000,  0.0000754000000000, -0.0000899400000000 ]  - [  -0.0001618100000000, -0.0001966500000000,  0.0001669100000000 ]  - [   0.0002731000000000, -0.0003242700000000, -0.0001359800000000 ]  - [   0.0001267500000000, -0.0001419400000000,  0.0000721000000000 ]  - [  -0.0003855900000000,  0.0005671800000000,  0.0000614500000000 ]  - [   0.0003750900000000, -0.0004873400000000, -0.0001176400000000 ]  - [  -0.0000168800000000,  0.0000348700000000, -0.0000798300000000 ]  - [   0.0000329200000000, -0.0000107700000000,  0.0001392600000000 ]  - [  -0.0001656600000000,  0.0001269300000000, -0.0001564600000000 ]  - [   0.0000733700000000, -0.0000995900000000,  0.0000323000000000 ]  - [   0.0000123000000000,  0.0000383300000000,  0.0000254900000000 ]  - [  -0.0002523800000000, -0.0000520500000000, -0.0000294300000000 ]  - [   0.0009466100000000, -0.0011334000000000,  0.0002069100000000 ]  - [  -0.0036155600000000,  0.0027571400000000, -0.0013480200000000 ]  - [  -0.0002175300000000,  0.0000037700000000,  0.0000004600000000 ]  - [   0.0000610700000000, -0.0001096000000000,  0.0000002800000000 ]  - [  -0.0001185100000000,  0.0000625000000000, -0.0000764200000000 ]  - [  -0.0002469300000000,  0.0000181800000000, -0.0000190600000000 ]- atom:    1  displacement:    [   0.0049999999969448, -0.0086602540396083,  0.0000000000000000 ]  forces:  - [  -0.0110611900000000,  0.0110153200000000, -0.0011617500000000 ]  - [   0.0036376900000000, -0.0003643800000000, -0.0002355200000000 ]  - [  -0.0014993000000000,  0.0001174800000000, -0.0000368300000000 ]  - [   0.0008104800000000, -0.0006579400000000,  0.0000151600000000 ]  - [   0.0021006700000000, -0.0005391300000000, -0.0001137000000000 ]  - [   0.0003412000000000, -0.0013723800000000, -0.0000322400000000 ]  - [  -0.0002600800000000,  0.0001566200000000,  0.0003415000000000 ]  - [  -0.0006628900000000, -0.0003966500000000, -0.0015322900000000 ]  - [   0.0006690800000000,  0.0000944600000000,  0.0029163400000000 ]  - [  -0.0013008200000000,  0.0000780500000000,  0.0004377700000000 ]  - [   0.0004888800000000, -0.0004988700000000, -0.0000777100000000 ]  - [   0.0002119700000000,  0.0001218500000000, -0.0003901900000000 ]  - [   0.0006986200000000,  0.0000404900000000, -0.0000372400000000 ]  - [  -0.0003138600000000,  0.0004665700000000, -0.0001649800000000 ]  - [  -0.0002347200000000, -0.0007634900000000,  0.0000366300000000 ]  - [   0.0007397000000000, -0.0001026000000000,  0.0000646600000000 ]  - [  -0.0003298900000000,  0.0005929800000000,  0.0000370400000000 ]  - [  -0.0003666200000000, -0.0004283800000000, -0.0000352500000000 ]  - [  -0.0006385800000000, -0.0001004600000000,  0.0000584000000000 ]  - [   0.0004228300000000, -0.0005906500000000,  0.0000534200000000 ]  - [   0.0003000600000000,  0.0006000600000000,  0.0000652500000000 ]  - [  -0.0006102100000000,  0.0000705900000000, -0.0000134000000000 ]  - [   0.0002174100000000, -0.0005512200000000, -0.0000134800000000 ]  - [   0.0003644200000000,  0.0005655500000000, -0.0000060400000000 ]  - [   0.0007261400000000,  0.0000538300000000, -0.0000133400000000 ]  - [  -0.0004669800000000,  0.0005432600000000, -0.0000366100000000 ]  - [  -0.0002493300000000, -0.0004203600000000,  0.0001416800000000 ]  - [   0.0002742500000000,  0.0000862700000000,  0.0002098800000000 ]  - [  -0.0001788300000000,  0.0005631500000000, -0.0001696800000000 ]  - [  -0.0003555000000000, -0.0004710900000000, -0.0000884500000000 ]  - [  -0.0015563900000000,  0.0000537200000000, -0.0005595700000000 ]  - [   0.0006695500000000, -0.0004050200000000, -0.0000143000000000 ]  - [   0.0000164300000000,  0.0002249400000000,  0.0003734600000000 ]  - [  -0.0001926200000000, -0.0005600600000000,  0.0005904300000000 ]  - [   0.0004871400000000, -0.0011407300000000, -0.0004113900000000 ]  - [   0.0007183100000000,  0.0004135400000000,  0.0000183100000000 ]  - [   0.0000630900000000,  0.0000036300000000,  0.0000122500000000 ]  - [   0.0008515100000000, -0.0008363800000000, -0.0004236300000000 ]  - [  -0.0003098600000000,  0.0003445500000000, -0.0002066800000000 ]  - [   0.0011643300000000, -0.0031098800000000,  0.0003559300000000 ]  - [  -0.0005666600000000, -0.0000711400000000,  0.0000367300000000 ]  - [   0.0003161600000000, -0.0010666500000000, -0.0000165500000000 ]  - [   0.0016545700000000, -0.0004088200000000, -0.0011801500000000 ]  - [   0.0000504200000000, -0.0002304800000000, -0.0001401600000000 ]  - [  -0.0001719400000000,  0.0000225000000000, -0.0000068200000000 ]  - [   0.0000722400000000, -0.0001319000000000,  0.0000096900000000 ]  - [   0.0001018400000000,  0.0001202000000000, -0.0000189000000000 ]  - [   0.0000540400000000, -0.0000000600000000, -0.0000126900000000 ]  - [  -0.0000804900000000,  0.0001669700000000,  0.0000889800000000 ]  - [   0.0000370500000000, -0.0000654500000000, -0.0001672900000000 ]  - [  -0.0002701000000000,  0.0003265800000000,  0.0001342600000000 ]  - [  -0.0001281400000000,  0.0001386400000000, -0.0000711300000000 ]  - [   0.0000840100000000, -0.0005457200000000, -0.0000686300000000 ]  - [  -0.0002490500000000,  0.0002228700000000,  0.0001197700000000 ]  - [   0.0001809300000000,  0.0002060400000000,  0.0000799900000000 ]  - [   0.0002261100000000,  0.0000124300000000, -0.0001388800000000 ]  - [   0.0000363000000000,  0.0000976900000000,  0.0001561900000000 ]  - [  -0.0002010300000000, -0.0001233400000000, -0.0000323100000000 ]  - [  -0.0000107300000000, -0.0000350000000000, -0.0000239700000000 ]  - [   0.0002493000000000,  0.0000478400000000,  0.0000290000000000 ]  - [  -0.0009415800000000,  0.0011283500000000, -0.0002044500000000 ]  - [   0.0036510100000000, -0.0027336800000000,  0.0013803500000000 ]  - [   0.0002162500000000, -0.0000046300000000, -0.0000012400000000 ]  - [  -0.0000613600000000,  0.0001100100000000, -0.0000000900000000 ]  - [   0.0001190300000000, -0.0000625000000000,  0.0000745500000000 ]  - [   0.0002457200000000, -0.0000179800000000,  0.0000199300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0020212200000000, -0.0001536900000000, -0.0201617600000000 ]  - [  -0.0001550800000000,  0.0003905000000000, -0.0018569000000000 ]  - [  -0.0000702100000000, -0.0004256700000000, -0.0018568000000000 ]  - [   0.0007402600000000, -0.0000984700000000, -0.0002579600000000 ]  - [  -0.0004094300000000,  0.0007106100000000, -0.0012475700000000 ]  - [  -0.0004181300000000, -0.0006239600000000, -0.0002588300000000 ]  - [   0.0001855300000000,  0.0000574300000000,  0.0003593300000000 ]  - [   0.0012397400000000,  0.0023151300000000,  0.0029640600000000 ]  - [   0.0018372100000000, -0.0018940900000000,  0.0029636800000000 ]  - [  -0.0008992900000000, -0.0005117900000000, -0.0000989200000000 ]  - [  -0.0001107900000000, -0.0007654700000000, -0.0002233700000000 ]  - [   0.0003604600000000,  0.0005760000000000, -0.0001964800000000 ]  - [   0.0006895400000000,  0.0000697700000000,  0.0001289300000000 ]  - [  -0.0006329600000000,  0.0008718400000000,  0.0004609300000000 ]  - [  -0.0002606000000000, -0.0006816500000000,  0.0001550800000000 ]  - [   0.0006135500000000, -0.0000818900000000,  0.0002619500000000 ]  - [  -0.0002630000000000,  0.0005656200000000,  0.0002658400000000 ]  - [  -0.0005556100000000, -0.0007068500000000,  0.0006029500000000 ]  - [  -0.0006144000000000, -0.0000769800000000,  0.0003344800000000 ]  - [   0.0003645400000000, -0.0004801800000000,  0.0003453700000000 ]  - [   0.0002453100000000,  0.0005502200000000,  0.0003452700000000 ]  - [  -0.0006833400000000,  0.0000642500000000,  0.0003999000000000 ]  - [   0.0002862000000000, -0.0006475800000000,  0.0004402900000000 ]  - [   0.0004048600000000,  0.0005722300000000,  0.0004891100000000 ]  - [   0.0007012500000000,  0.0001004800000000,  0.0001308800000000 ]  - [  -0.0003828600000000,  0.0006102100000000,  0.0001567400000000 ]  - [  -0.0001363900000000, -0.0004160100000000,  0.0004625400000000 ]  - [   0.0005720100000000, -0.0002236600000000,  0.0014236200000000 ]  - [  -0.0004693100000000,  0.0009171100000000,  0.0005739400000000 ]  - [  -0.0006145600000000, -0.0008040900000000,  0.0005415600000000 ]  - [   0.0000189000000000,  0.0010011800000000,  0.0002037900000000 ]  - [   0.0006930300000000, -0.0003137700000000, -0.0001933800000000 ]  - [   0.0003123500000000,  0.0006080700000000, -0.0001930800000000 ]  - [  -0.0003951300000000, -0.0006222500000000, -0.0000961500000000 ]  - [   0.0002219000000000, -0.0004374100000000, -0.0002213600000000 ]  - [   0.0006110900000000,  0.0002484400000000, -0.0001947100000000 ]  - [  -0.0003513200000000, -0.0001641300000000,  0.0000996000000000 ]  - [  -0.0008009000000000, -0.0001806000000000,  0.0029938600000000 ]  - [  -0.0001684100000000,  0.0003195300000000,  0.0001025500000000 ]  - [   0.0003301400000000, -0.0001399200000000,  0.0012734900000000 ]  - [  -0.0002032400000000,  0.0001113900000000,  0.0004950800000000 ]  - [   0.0000876100000000, -0.0000256700000000,  0.0013046600000000 ]  - [  -0.0030568500000000, -0.0004258900000000,  0.0044640900000000 ]  - [  -0.0002362600000000, -0.0000321800000000, -0.0007039300000000 ]  - [  -0.0001297300000000, -0.0000701100000000, -0.0003181200000000 ]  - [   0.0001208500000000, -0.0000803100000000, -0.0003089300000000 ]  - [   0.0000019600000000,  0.0001541200000000, -0.0004900900000000 ]  - [   0.0002300900000000, -0.0000226400000000, -0.0002702400000000 ]  - [  -0.0000243400000000, -0.0000672900000000, -0.0003215100000000 ]  - [  -0.0000415200000000,  0.0000995800000000, -0.0003752700000000 ]  - [   0.0000833000000000, -0.0000879000000000,  0.0001566900000000 ]  - [  -0.0000500100000000,  0.0000953500000000, -0.0001996600000000 ]  - [  -0.0004412100000000,  0.0000610200000000,  0.0005438400000000 ]  - [   0.0000934200000000, -0.0002168600000000,  0.0002224600000000 ]  - [   0.0001133200000000,  0.0001430100000000,  0.0002190200000000 ]  - [   0.0001121800000000,  0.0002139800000000, -0.0002669300000000 ]  - [  -0.0000619100000000, -0.0001947800000000, -0.0004508600000000 ]  - [  -0.0000418500000000, -0.0001186800000000, -0.0002623200000000 ]  - [   0.0000069100000000, -0.0000066800000000, -0.0003837500000000 ]  - [  -0.0000319500000000, -0.0000420100000000,  0.0005202900000000 ]  - [  -0.0001384000000000,  0.0001990900000000,  0.0007279700000000 ]  - [   0.0033747400000000,  0.0003607300000000,  0.0063799500000000 ]  - [   0.0002742900000000,  0.0003029200000000, -0.0002135600000000 ]  - [   0.0001070600000000, -0.0000995400000000, -0.0005489200000000 ]  - [   0.0002193400000000, -0.0000118700000000, -0.0011248300000000 ]  - [  -0.0003827000000000, -0.0003373300000000, -0.0002175800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0030879900000000,  0.0002478700000000,  0.0199735100000000 ]  - [  -0.0006410200000000,  0.0006860600000000,  0.0017949200000000 ]  - [  -0.0004775100000000, -0.0007956200000000,  0.0017950600000000 ]  - [   0.0005785200000000, -0.0000420600000000,  0.0003202000000000 ]  - [  -0.0001172700000000,  0.0004957000000000,  0.0013108200000000 ]  - [  -0.0003647200000000, -0.0004466700000000,  0.0003209200000000 ]  - [  -0.0014987000000000, -0.0001948100000000, -0.0002975200000000 ]  - [  -0.0004543900000000, -0.0033568700000000, -0.0028822700000000 ]  - [  -0.0012834400000000,  0.0030776800000000, -0.0028826300000000 ]  - [  -0.0004174000000000,  0.0006499500000000,  0.0000345800000000 ]  - [   0.0006506500000000, -0.0004440900000000,  0.0001611700000000 ]  - [   0.0004178700000000,  0.0004951400000000,  0.0001329500000000 ]  - [   0.0006260100000000,  0.0000712600000000, -0.0001939500000000 ]  - [  -0.0001471300000000,  0.0001952900000000, -0.0005264300000000 ]  - [  -0.0002742500000000, -0.0005287700000000, -0.0002198800000000 ]  - [   0.0007035100000000, -0.0000591000000000, -0.0001990200000000 ]  - [  -0.0002730800000000,  0.0006461900000000, -0.0002032200000000 ]  - [  -0.0002256200000000, -0.0003615700000000, -0.0005406300000000 ]  - [  -0.0007013500000000, -0.0000642400000000, -0.0002702800000000 ]  - [   0.0004154200000000, -0.0005882800000000, -0.0002811100000000 ]  - [   0.0002895000000000,  0.0006594700000000, -0.0002811700000000 ]  - [  -0.0006308100000000,  0.0000766400000000, -0.0004644700000000 ]  - [   0.0002494900000000, -0.0005613300000000, -0.0005046800000000 ]  - [   0.0003747800000000,  0.0004954300000000, -0.0005538300000000 ]  - [   0.0006147800000000,  0.0000374700000000, -0.0001933700000000 ]  - [  -0.0003943700000000,  0.0004597100000000, -0.0002195200000000 ]  - [  -0.0004026200000000, -0.0007929100000000, -0.0005261800000000 ]  - [   0.0007448300000000,  0.0000874000000000, -0.0013719000000000 ]  - [  -0.0000674500000000,  0.0002908900000000, -0.0005118500000000 ]  - [  -0.0001615200000000, -0.0002652300000000, -0.0004789300000000 ]  - [  -0.0013372100000000, -0.0011462400000000, -0.0001354500000000 ]  - [   0.0000859300000000, -0.0007555200000000,  0.0002591300000000 ]  - [   0.0002224200000000,  0.0006013200000000,  0.0002595200000000 ]  - [  -0.0009249700000000,  0.0007672100000000,  0.0000361300000000 ]  - [   0.0003146900000000, -0.0007761900000000,  0.0001618900000000 ]  - [   0.0001707200000000,  0.0008231200000000,  0.0001335600000000 ]  - [   0.0000859800000000,  0.0001625700000000, -0.0000978200000000 ]  - [   0.0008433300000000, -0.0000554000000000, -0.0028499200000000 ]  - [   0.0002976300000000, -0.0000928100000000, -0.0001011600000000 ]  - [  -0.0000338300000000,  0.0001263600000000, -0.0012760600000000 ]  - [   0.0000752200000000,  0.0001560400000000, -0.0004964400000000 ]  - [  -0.0002518700000000, -0.0002206600000000, -0.0013061400000000 ]  - [   0.0032037300000000,  0.0004497400000000, -0.0046038800000000 ]  - [   0.0002327200000000,  0.0000287400000000,  0.0007015900000000 ]  - [  -0.0001666000000000,  0.0000477900000000,  0.0003187600000000 ]  - [   0.0000451200000000, -0.0001658200000000,  0.0003094900000000 ]  - [   0.0001268700000000,  0.0001113200000000,  0.0004914500000000 ]  - [   0.0000653600000000,  0.0000454200000000,  0.0002710300000000 ]  - [  -0.0001410100000000,  0.0003115500000000,  0.0003205200000000 ]  - [  -0.0000852000000000, -0.0003637400000000,  0.0003753000000000 ]  - [  -0.0000813400000000,  0.0000912300000000, -0.0001561000000000 ]  - [   0.0000484100000000, -0.0000989600000000,  0.0002000900000000 ]  - [   0.0001124300000000, -0.0000358200000000, -0.0005777600000000 ]  - [   0.0000350300000000, -0.0000506600000000, -0.0002234100000000 ]  - [   0.0000520300000000,  0.0001002000000000, -0.0002203900000000 ]  - [   0.0001514600000000, -0.0002146700000000,  0.0002668900000000 ]  - [  -0.0000690300000000,  0.0004263300000000,  0.0004523600000000 ]  - [  -0.0000889000000000, -0.0001076300000000,  0.0002618500000000 ]  - [  -0.0000051700000000,  0.0000098400000000,  0.0003847200000000 ]  - [   0.0000283900000000,  0.0000378000000000, -0.0005201200000000 ]  - [   0.0001386200000000, -0.0001992700000000, -0.0007323300000000 ]  - [  -0.0031511200000000, -0.0003311900000000, -0.0062557600000000 ]  - [  -0.0002749800000000, -0.0003036100000000,  0.0002148700000000 ]  - [  -0.0001070800000000,  0.0000999400000000,  0.0005502100000000 ]  - [  -0.0002221500000000,  0.0000123500000000,  0.0011250100000000 ]  - [   0.0003836600000000,  0.0003387200000000,  0.0002170500000000 ]- atom:   37  displacement:    [  -0.0049999999969448,  0.0086602540396083,  0.0000000000000000 ]  forces:  - [   0.0003812000000000,  0.0000170600000000, -0.0000604600000000 ]  - [  -0.0004289200000000,  0.0001266200000000, -0.0002605100000000 ]  - [  -0.0005035500000000,  0.0004986300000000,  0.0004304500000000 ]  - [   0.0004951600000000,  0.0004460400000000, -0.0000675300000000 ]  - [   0.0000446000000000,  0.0005171900000000,  0.0000035100000000 ]  - [  -0.0001653900000000, -0.0004319500000000,  0.0000300100000000 ]  - [  -0.0016715000000000,  0.0028174200000000, -0.0001719300000000 ]  - [  -0.0003583600000000,  0.0003586300000000,  0.0001972900000000 ]  - [  -0.0001570400000000,  0.0001745200000000,  0.0001165400000000 ]  - [  -0.0008590300000000,  0.0026751600000000, -0.0000597800000000 ]  - [   0.0007725300000000, -0.0014659500000000,  0.0001077000000000 ]  - [  -0.0002348800000000,  0.0014741300000000, -0.0000346700000000 ]  - [   0.0006361400000000,  0.0007441100000000,  0.0001606600000000 ]  - [  -0.0000954100000000,  0.0004790200000000,  0.0000029600000000 ]  - [  -0.0001164700000000, -0.0004668300000000,  0.0000293800000000 ]  - [   0.0010776400000000, -0.0004282800000000, -0.0002194800000000 ]  - [  -0.0010597500000000,  0.0020422700000000,  0.0008791200000000 ]  - [  -0.0004402600000000, -0.0010113300000000, -0.0002635900000000 ]  - [  -0.0005366700000000, -0.0000407500000000, -0.0000432000000000 ]  - [   0.0003338200000000, -0.0003881700000000,  0.0000497600000000 ]  - [   0.0003094300000000,  0.0005667800000000,  0.0001622000000000 ]  - [  -0.0006446400000000, -0.0000050900000000,  0.0001447500000000 ]  - [   0.0001669300000000, -0.0004001500000000, -0.0000337200000000 ]  - [   0.0002812300000000,  0.0004041300000000, -0.0000138000000000 ]  - [   0.0007367600000000,  0.0000636600000000, -0.0000878800000000 ]  - [  -0.0004606800000000,  0.0006225600000000, -0.0000901300000000 ]  - [  -0.0002840200000000, -0.0006928500000000, -0.0000835000000000 ]  - [   0.0006125800000000, -0.0000620400000000, -0.0000123000000000 ]  - [  -0.0002595400000000,  0.0005459200000000, -0.0000084300000000 ]  - [  -0.0003949100000000, -0.0005059900000000, -0.0000203700000000 ]  - [  -0.0007991700000000, -0.0001068700000000,  0.0002240400000000 ]  - [   0.0005768800000000, -0.0008015900000000,  0.0000525100000000 ]  - [   0.0003059600000000,  0.0007095000000000,  0.0002955900000000 ]  - [  -0.0005585200000000,  0.0000787100000000, -0.0000208200000000 ]  - [   0.0002651700000000, -0.0005025900000000, -0.0000908000000000 ]  - [   0.0004545100000000,  0.0005618400000000, -0.0002219100000000 ]  - [   0.0045414400000000, -0.0144378900000000, -0.0027635400000000 ]  - [   0.0002029500000000,  0.0004271600000000, -0.0000341400000000 ]  - [  -0.0004715200000000,  0.0009482700000000, -0.0000051400000000 ]  - [   0.0004933800000000,  0.0000084300000000, -0.0001695900000000 ]  - [  -0.0005788800000000,  0.0006994700000000,  0.0006193600000000 ]  - [  -0.0003138400000000, -0.0005353500000000, -0.0003045100000000 ]  - [   0.0000958000000000,  0.0001256800000000,  0.0002195200000000 ]  - [   0.0004824200000000,  0.0002433000000000, -0.0004095700000000 ]  - [  -0.0002352400000000,  0.0000272900000000,  0.0000464400000000 ]  - [   0.0002443900000000, -0.0003409800000000, -0.0000864700000000 ]  - [   0.0000709800000000,  0.0002034800000000,  0.0000372200000000 ]  - [  -0.0003249000000000,  0.0005042200000000, -0.0002997200000000 ]  - [  -0.0005972100000000, -0.0001678200000000,  0.0003822600000000 ]  - [   0.0004437900000000, -0.0001194600000000,  0.0002865600000000 ]  - [  -0.0006225400000000, -0.0002308700000000, -0.0000139200000000 ]  - [  -0.0000342700000000, -0.0000367500000000,  0.0000255600000000 ]  - [  -0.0001563600000000,  0.0000945700000000,  0.0000333400000000 ]  - [  -0.0000302300000000, -0.0000874700000000,  0.0000140000000000 ]  - [   0.0001905300000000, -0.0000919600000000,  0.0000802200000000 ]  - [   0.0001207200000000, -0.0000657600000000,  0.0000044100000000 ]  - [  -0.0000041700000000,  0.0001260000000000,  0.0000052200000000 ]  - [  -0.0001061800000000, -0.0000424300000000,  0.0000102400000000 ]  - [  -0.0000906100000000,  0.0002367200000000,  0.0003857300000000 ]  - [  -0.0002533300000000,  0.0006318600000000, -0.0006807600000000 ]  - [  -0.0004890300000000, -0.0000249500000000,  0.0002908000000000 ]  - [   0.0016490000000000,  0.0010022500000000,  0.0006933400000000 ]  - [  -0.0009418600000000,  0.0024122500000000,  0.0011687800000000 ]  - [  -0.0007610400000000, -0.0001840800000000, -0.0004582400000000 ]  - [   0.0000811700000000, -0.0000054000000000, -0.0000178300000000 ]  - [  -0.0000272000000000,  0.0000667500000000, -0.0000812100000000 ]- atom:   37  displacement:    [   0.0049999999969448, -0.0086602540396083,  0.0000000000000000 ]  forces:  - [   0.0009359500000000,  0.0001246500000000, -0.0000014600000000 ]  - [  -0.0003516400000000,  0.0009428700000000,  0.0002008200000000 ]  - [  -0.0000366500000000, -0.0017158400000000, -0.0005045200000000 ]  - [   0.0008266000000000, -0.0005872400000000,  0.0001251900000000 ]  - [  -0.0005794400000000,  0.0006897900000000,  0.0000617800000000 ]  - [  -0.0006126800000000, -0.0006329800000000,  0.0000360500000000 ]  - [   0.0003823300000000, -0.0031499900000000,  0.0002459300000000 ]  - [   0.0011390800000000, -0.0014313500000000, -0.0001373600000000 ]  - [   0.0006965800000000,  0.0010367100000000, -0.0000564900000000 ]  - [  -0.0004280200000000, -0.0024108600000000, -0.0000102700000000 ]  - [  -0.0002360500000000,  0.0002572100000000, -0.0001701800000000 ]  - [   0.0009142300000000, -0.0003402300000000, -0.0000347200000000 ]  - [   0.0006996500000000, -0.0006003000000000, -0.0002056800000000 ]  - [  -0.0006885900000000,  0.0005907000000000, -0.0000640400000000 ]  - [  -0.0004174000000000, -0.0007466400000000, -0.0000909600000000 ]  - [   0.0002373800000000,  0.0002876000000000,  0.0002814100000000 ]  - [   0.0005142400000000, -0.0008086300000000, -0.0007648600000000 ]  - [  -0.0003405500000000, -0.0000564000000000,  0.0003263100000000 ]  - [  -0.0007830200000000, -0.0001025500000000,  0.0001037800000000 ]  - [   0.0004502800000000, -0.0006824400000000,  0.0000115400000000 ]  - [   0.0002263400000000,  0.0006469500000000, -0.0001019700000000 ]  - [  -0.0006745600000000,  0.0001465700000000, -0.0002058700000000 ]  - [   0.0003700500000000, -0.0008149400000000, -0.0000256700000000 ]  - [   0.0005025200000000,  0.0006677900000000, -0.0000461200000000 ]  - [   0.0005827200000000,  0.0000760600000000,  0.0000278800000000 ]  - [  -0.0003195600000000,  0.0004497100000000,  0.0000298300000000 ]  - [  -0.0002535100000000, -0.0005193000000000,  0.0000235600000000 ]  - [   0.0007074000000000, -0.0000773300000000,  0.0000708100000000 ]  - [  -0.0002801000000000,  0.0006670400000000,  0.0000667400000000 ]  - [  -0.0003859400000000, -0.0005680500000000,  0.0000786100000000 ]  - [  -0.0005194600000000, -0.0000356000000000, -0.0001620300000000 ]  - [   0.0002061500000000, -0.0002681900000000,  0.0000105500000000 ]  - [   0.0002289000000000,  0.0005047900000000, -0.0002340300000000 ]  - [  -0.0007546300000000,  0.0000628800000000, -0.0000440600000000 ]  - [   0.0002695400000000, -0.0007055400000000,  0.0000259800000000 ]  - [   0.0003251600000000,  0.0005032300000000,  0.0001573300000000 ]  - [  -0.0047781100000000,  0.0144135200000000,  0.0027141700000000 ]  - [  -0.0000698600000000, -0.0006519200000000,  0.0000347400000000 ]  - [   0.0005997200000000, -0.0007249100000000,  0.0000046200000000 ]  - [  -0.0001979400000000, -0.0000309800000000,  0.0001692100000000 ]  - [   0.0004521400000000, -0.0004325100000000, -0.0006239300000000 ]  - [   0.0001512000000000,  0.0002913700000000,  0.0003056700000000 ]  - [  -0.0000931800000000, -0.0001211500000000, -0.0002198100000000 ]  - [  -0.0004860700000000, -0.0002439500000000,  0.0004101700000000 ]  - [  -0.0000603000000000, -0.0000503600000000, -0.0000457200000000 ]  - [  -0.0000784500000000,  0.0000956900000000,  0.0000854100000000 ]  - [   0.0000572000000000,  0.0000617700000000, -0.0000369400000000 ]  - [   0.0006218900000000, -0.0004805500000000,  0.0003023700000000 ]  - [   0.0004335300000000,  0.0004103600000000, -0.0003823600000000 ]  - [  -0.0005718600000000, -0.0001481700000000, -0.0002870300000000 ]  - [   0.0006236400000000,  0.0002355000000000,  0.0000135100000000 ]  - [   0.0000327400000000,  0.0000333200000000, -0.0000250900000000 ]  - [  -0.0001381900000000, -0.0000730200000000, -0.0000337900000000 ]  - [   0.0001583900000000, -0.0001803000000000, -0.0000142000000000 ]  - [  -0.0000253600000000,  0.0003342000000000, -0.0000788400000000 ]  - [   0.0001428800000000,  0.0000663700000000, -0.0000045000000000 ]  - [  -0.0001264000000000,  0.0001023500000000, -0.0000055700000000 ]  - [  -0.0000242000000000, -0.0001831200000000, -0.0000103000000000 ]  - [   0.0000929000000000, -0.0002339400000000, -0.0003851000000000 ]  - [   0.0002521100000000, -0.0006352200000000,  0.0006793000000000 ]  - [   0.0004855100000000,  0.0000255100000000, -0.0002890400000000 ]  - [  -0.0016569200000000, -0.0009955300000000, -0.0006975600000000 ]  - [   0.0009423200000000, -0.0024057700000000, -0.0011600500000000 ]  - [   0.0007604200000000,  0.0001822600000000,  0.0004580400000000 ]  - [  -0.0000806800000000,  0.0000064900000000,  0.0000179400000000 ]  - [   0.0000276400000000, -0.0000675100000000,  0.0000808600000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0004300500000000, -0.0000744800000000,  0.0000672500000000 ]  - [  -0.0003391200000000,  0.0002674700000000,  0.0000701100000000 ]  - [   0.0001375900000000,  0.0001187600000000,  0.0028254800000000 ]  - [   0.0011110500000000, -0.0002426200000000,  0.0005735400000000 ]  - [  -0.0001496600000000,  0.0004665100000000,  0.0002522500000000 ]  - [  -0.0002877800000000, -0.0003832600000000,  0.0002490600000000 ]  - [  -0.0004176900000000, -0.0003287800000000,  0.0013034500000000 ]  - [   0.0001874100000000, -0.0004418700000000,  0.0013347600000000 ]  - [   0.0002313900000000,  0.0005424700000000,  0.0005255200000000 ]  - [  -0.0009042300000000, -0.0001948300000000,  0.0012471600000000 ]  - [   0.0003077200000000, -0.0006710700000000,  0.0004671000000000 ]  - [   0.0005945300000000,  0.0006324600000000,  0.0012773100000000 ]  - [   0.0002509600000000, -0.0001045700000000,  0.0005491800000000 ]  - [  -0.0004987000000000,  0.0006906300000000,  0.0001919200000000 ]  - [  -0.0003876300000000, -0.0007512200000000,  0.0001951200000000 ]  - [   0.0008920700000000, -0.0002181700000000,  0.0001290000000000 ]  - [  -0.0007119800000000,  0.0014147800000000,  0.0030170900000000 ]  - [  -0.0004455800000000, -0.0008059700000000,  0.0001316800000000 ]  - [  -0.0006683800000000, -0.0000610500000000, -0.0002421900000000 ]  - [   0.0003019100000000, -0.0006782000000000, -0.0003464100000000 ]  - [   0.0001790800000000,  0.0007620000000000, -0.0002922900000000 ]  - [  -0.0006524100000000,  0.0002259700000000, -0.0002931100000000 ]  - [   0.0004273500000000, -0.0004030200000000, -0.0004781400000000 ]  - [   0.0003771300000000,  0.0004919700000000, -0.0002882800000000 ]  - [   0.0006634500000000,  0.0000802200000000, -0.0003482200000000 ]  - [  -0.0003968100000000,  0.0005173700000000, -0.0005205500000000 ]  - [  -0.0002781000000000, -0.0006138600000000, -0.0003388800000000 ]  - [   0.0006618200000000, -0.0000604500000000, -0.0002926400000000 ]  - [  -0.0002623500000000,  0.0006043600000000, -0.0002834800000000 ]  - [  -0.0003871400000000, -0.0005586500000000, -0.0004649000000000 ]  - [  -0.0006719200000000,  0.0000813600000000, -0.0002368200000000 ]  - [   0.0004098300000000, -0.0005828600000000, -0.0002322000000000 ]  - [   0.0001116600000000,  0.0008148000000000, -0.0004210600000000 ]  - [  -0.0006539700000000,  0.0000824600000000, -0.0003014300000000 ]  - [   0.0003570800000000, -0.0004558500000000, -0.0003510700000000 ]  - [   0.0004828800000000,  0.0003954800000000, -0.0004054100000000 ]  - [  -0.0001375400000000, -0.0031644900000000, -0.0114768900000000 ]  - [   0.0001005700000000, -0.0001281200000000, -0.0003358700000000 ]  - [   0.0000310500000000,  0.0000987700000000, -0.0003362100000000 ]  - [   0.0000156800000000, -0.0002814100000000, -0.0000860300000000 ]  - [  -0.0004460000000000,  0.0007053900000000, -0.0000376600000000 ]  - [   0.0005388300000000, -0.0000933100000000, -0.0000372300000000 ]  - [   0.0001551700000000,  0.0003906300000000,  0.0006059200000000 ]  - [  -0.0002278600000000, -0.0005411300000000, -0.0000458000000000 ]  - [  -0.0001347700000000,  0.0000344300000000,  0.0001837300000000 ]  - [   0.0001695300000000, -0.0002642800000000,  0.0008164300000000 ]  - [   0.0000776500000000,  0.0000976600000000,  0.0001733500000000 ]  - [   0.0002786100000000, -0.0002601600000000, -0.0000879800000000 ]  - [  -0.0007050400000000,  0.0001495100000000, -0.0000406100000000 ]  - [   0.0003193400000000,  0.0004415100000000, -0.0000401300000000 ]  - [  -0.0000002600000000,  0.0000123900000000, -0.0007232900000000 ]  - [  -0.0000006600000000, -0.0000065500000000,  0.0004055500000000 ]  - [  -0.0001595100000000,  0.0000563700000000,  0.0001842100000000 ]  - [   0.0000499300000000, -0.0001676400000000,  0.0001741800000000 ]  - [  -0.0000033000000000, -0.0000200200000000,  0.0008139500000000 ]  - [   0.0001310500000000,  0.0000054900000000,  0.0003578500000000 ]  - [  -0.0000706100000000,  0.0001052800000000,  0.0003061200000000 ]  - [  -0.0000595400000000, -0.0001213900000000,  0.0003063500000000 ]  - [  -0.0001545000000000,  0.0003937800000000,  0.0006088600000000 ]  - [   0.0002254900000000, -0.0005401600000000, -0.0000425600000000 ]  - [  -0.0009826200000000,  0.0001349900000000,  0.0007264500000000 ]  - [   0.0004975200000000,  0.0012157500000000, -0.0013119500000000 ]  - [  -0.0004958200000000,  0.0012124800000000, -0.0013235300000000 ]  - [   0.0009867100000000,  0.0001350200000000,  0.0007274300000000 ]  - [   0.0000010400000000, -0.0000800500000000,  0.0006322000000000 ]  - [  -0.0000016400000000, -0.0000790300000000,  0.0006332700000000 ]- atom:   43  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0046596000000000,  0.0004854100000000, -0.0031005100000000 ]  - [   0.0015666000000000, -0.0011473600000000,  0.0019312300000000 ]  - [   0.0009142800000000,  0.0005851400000000,  0.0011564400000000 ]  - [   0.0005068400000000, -0.0002957700000000, -0.0000513400000000 ]  - [  -0.0006865700000000,  0.0007442600000000,  0.0001495500000000 ]  - [  -0.0003591900000000, -0.0003495300000000, -0.0000049100000000 ]  - [  -0.0005959800000000, -0.0000938100000000, -0.0002022000000000 ]  - [   0.0005707200000000, -0.0004411000000000,  0.0001755700000000 ]  - [   0.0004917100000000,  0.0005343100000000,  0.0001227900000000 ]  - [  -0.0007272300000000, -0.0000367700000000,  0.0000164800000000 ]  - [   0.0000830400000000, -0.0005271500000000, -0.0001419700000000 ]  - [   0.0004192100000000,  0.0006184000000000,  0.0000267400000000 ]  - [   0.0006011000000000,  0.0000510100000000, -0.0000271300000000 ]  - [  -0.0004677900000000,  0.0006218000000000, -0.0000289500000000 ]  - [  -0.0002413200000000, -0.0005498100000000, -0.0000434600000000 ]  - [   0.0006011000000000, -0.0000510100000000,  0.0000271300000000 ]  - [  -0.0002413200000000,  0.0005498100000000,  0.0000434600000000 ]  - [  -0.0004677900000000, -0.0006218000000000,  0.0000289500000000 ]  - [  -0.0007272300000000,  0.0000367700000000, -0.0000164800000000 ]  - [   0.0004192100000000, -0.0006184000000000, -0.0000267400000000 ]  - [   0.0000830400000000,  0.0005271500000000,  0.0001419700000000 ]  - [  -0.0005959800000000,  0.0000938100000000,  0.0002022000000000 ]  - [   0.0004917100000000, -0.0005343100000000, -0.0001227900000000 ]  - [   0.0005707200000000,  0.0004411000000000, -0.0001755700000000 ]  - [   0.0005068400000000,  0.0002957700000000,  0.0000513400000000 ]  - [  -0.0003591900000000,  0.0003495300000000,  0.0000049100000000 ]  - [  -0.0006865700000000, -0.0007442600000000, -0.0001495500000000 ]  - [   0.0046596000000000, -0.0004854100000000,  0.0031005100000000 ]  - [   0.0009142800000000, -0.0005851400000000, -0.0011564400000000 ]  - [   0.0015666000000000,  0.0011473600000000, -0.0019312300000000 ]  - [  -0.0011000500000000, -0.0006137700000000,  0.0000015000000000 ]  - [  -0.0004294500000000, -0.0002553300000000,  0.0000815900000000 ]  - [   0.0003505900000000,  0.0008008300000000,  0.0000120600000000 ]  - [  -0.0011000500000000,  0.0006137700000000, -0.0000015000000000 ]  - [   0.0003505900000000, -0.0008008300000000, -0.0000120600000000 ]  - [  -0.0004294500000000,  0.0002553300000000, -0.0000815900000000 ]  - [  -0.0001404200000000,  0.0001125100000000,  0.0001538200000000 ]  - [   0.0003128800000000, -0.0000875200000000, -0.0004145500000000 ]  - [   0.0001325600000000, -0.0000319500000000,  0.0002603500000000 ]  - [  -0.0000933700000000,  0.0004202800000000, -0.0002274800000000 ]  - [   0.0006120700000000,  0.0002551400000000,  0.0005821300000000 ]  - [  -0.0001030500000000, -0.0006213200000000, -0.0003533700000000 ]  - [  -0.0120845500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000934900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001404200000000, -0.0001125100000000, -0.0001538200000000 ]  - [   0.0001325600000000,  0.0000319500000000, -0.0002603500000000 ]  - [   0.0003128800000000,  0.0000875200000000,  0.0004145500000000 ]  - [   0.0002119400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000855800000000,  0.0000790800000000,  0.0000040500000000 ]  - [  -0.0000855800000000, -0.0000790800000000, -0.0000040500000000 ]  - [   0.0000772100000000, -0.0000155700000000, -0.0000007000000000 ]  - [   0.0001421200000000,  0.0000004800000000,  0.0000003300000000 ]  - [   0.0010977800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001810700000000, -0.0007817000000000, -0.0000094300000000 ]  - [   0.0001810700000000,  0.0007817000000000,  0.0000094300000000 ]  - [  -0.0000933700000000, -0.0004202800000000,  0.0002274800000000 ]  - [  -0.0001030500000000,  0.0006213200000000,  0.0003533700000000 ]  - [   0.0006120700000000, -0.0002551400000000, -0.0005821300000000 ]  - [   0.0000772100000000,  0.0000155700000000,  0.0000007000000000 ]  - [   0.0001421200000000, -0.0000004800000000, -0.0000003300000000 ]  - [   0.0003963100000000,  0.0000129500000000,  0.0000003800000000 ]  - [  -0.0016614500000000,  0.0000119700000000, -0.0000053000000000 ]  - [   0.0001077000000000,  0.0000075500000000,  0.0000002300000000 ]  - [   0.0001077000000000, -0.0000075500000000, -0.0000002300000000 ]  - [  -0.0016614500000000, -0.0000119700000000,  0.0000053000000000 ]  - [   0.0003963100000000, -0.0000129500000000, -0.0000003800000000 ]- atom:   43  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0034260400000000, -0.0003613800000000,  0.0031612000000000 ]  - [  -0.0023422100000000,  0.0021901000000000, -0.0019553400000000 ]  - [  -0.0014610100000000, -0.0017910100000000, -0.0012137200000000 ]  - [   0.0008119700000000,  0.0001552800000000,  0.0001134600000000 ]  - [   0.0001488500000000,  0.0004657400000000, -0.0000882400000000 ]  - [  -0.0004208000000000, -0.0007223400000000,  0.0000673800000000 ]  - [  -0.0007201000000000, -0.0000458200000000,  0.0002652700000000 ]  - [   0.0002075400000000, -0.0006297200000000, -0.0001128000000000 ]  - [   0.0000452100000000,  0.0006762700000000, -0.0000603000000000 ]  - [  -0.0005889800000000,  0.0001768400000000, -0.0000804200000000 ]  - [   0.0004543100000000, -0.0006818400000000,  0.0000775500000000 ]  - [   0.0003596200000000,  0.0004515200000000, -0.0000907400000000 ]  - [   0.0007152100000000,  0.0000899500000000, -0.0000373700000000 ]  - [  -0.0003122400000000,  0.0004465400000000, -0.0000356700000000 ]  - [  -0.0002944600000000, -0.0006607300000000, -0.0000211800000000 ]  - [   0.0007152100000000, -0.0000899500000000,  0.0000373700000000 ]  - [  -0.0002944600000000,  0.0006607300000000,  0.0000211800000000 ]  - [  -0.0003122400000000, -0.0004465400000000,  0.0000356700000000 ]  - [  -0.0005889800000000, -0.0001768400000000,  0.0000804200000000 ]  - [   0.0003596200000000, -0.0004515200000000,  0.0000907400000000 ]  - [   0.0004543100000000,  0.0006818400000000, -0.0000775500000000 ]  - [  -0.0007201000000000,  0.0000458200000000, -0.0002652700000000 ]  - [   0.0000452100000000, -0.0006762700000000,  0.0000603000000000 ]  - [   0.0002075400000000,  0.0006297200000000,  0.0001128000000000 ]  - [   0.0008119700000000, -0.0001552800000000, -0.0001134600000000 ]  - [  -0.0004208000000000,  0.0007223400000000, -0.0000673800000000 ]  - [   0.0001488500000000, -0.0004657400000000,  0.0000882400000000 ]  - [  -0.0034260400000000,  0.0003613800000000, -0.0031612000000000 ]  - [  -0.0014610100000000,  0.0017910100000000,  0.0012137200000000 ]  - [  -0.0023422100000000, -0.0021901000000000,  0.0019553400000000 ]  - [  -0.0002171300000000,  0.0004753100000000,  0.0000616900000000 ]  - [   0.0012085100000000, -0.0008116400000000, -0.0000182100000000 ]  - [   0.0001857600000000,  0.0004131500000000,  0.0000510500000000 ]  - [  -0.0002171300000000, -0.0004753100000000, -0.0000616900000000 ]  - [   0.0001857600000000, -0.0004131500000000, -0.0000510500000000 ]  - [   0.0012085100000000,  0.0008116400000000,  0.0000182100000000 ]  - [  -0.0001351100000000, -0.0001025700000000, -0.0001554100000000 ]  - [  -0.0001865000000000, -0.0001557000000000,  0.0004164800000000 ]  - [   0.0000134800000000,  0.0002642800000000, -0.0002610600000000 ]  - [   0.0003700800000000, -0.0004305000000000,  0.0002262800000000 ]  - [  -0.0007384800000000, -0.0000118000000000, -0.0005781600000000 ]  - [  -0.0000410500000000,  0.0003898200000000,  0.0003535700000000 ]  - [   0.0122646700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000920300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001351100000000,  0.0001025700000000,  0.0001554100000000 ]  - [   0.0000134800000000, -0.0002642800000000,  0.0002610600000000 ]  - [  -0.0001865000000000,  0.0001557000000000, -0.0004164800000000 ]  - [   0.0000785500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000588200000000,  0.0001721800000000, -0.0000042500000000 ]  - [  -0.0000588200000000, -0.0001721800000000,  0.0000042500000000 ]  - [  -0.0000755200000000,  0.0000160400000000, -0.0000003100000000 ]  - [  -0.0001441900000000,  0.0000004900000000, -0.0000000800000000 ]  - [  -0.0013942100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000385300000000,  0.0005303500000000,  0.0000095100000000 ]  - [  -0.0000385300000000, -0.0005303500000000, -0.0000095100000000 ]  - [   0.0003700800000000,  0.0004305000000000, -0.0002262800000000 ]  - [  -0.0000410500000000, -0.0003898200000000, -0.0003535700000000 ]  - [  -0.0007384800000000,  0.0000118000000000,  0.0005781600000000 ]  - [  -0.0000755200000000, -0.0000160400000000,  0.0000003100000000 ]  - [  -0.0001441900000000, -0.0000004900000000,  0.0000000800000000 ]  - [  -0.0003968100000000, -0.0000102300000000,  0.0000004300000000 ]  - [   0.0016651100000000, -0.0000106600000000, -0.0000055000000000 ]  - [  -0.0001082100000000, -0.0000082900000000,  0.0000001000000000 ]  - [  -0.0001082100000000,  0.0000082900000000, -0.0000001000000000 ]  - [   0.0016651100000000,  0.0000106600000000,  0.0000055000000000 ]  - [  -0.0003968100000000,  0.0000102300000000, -0.0000004300000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0024581300000000, -0.0003380500000000,  0.0045739500000000 ]  - [   0.0015218300000000, -0.0019597800000000,  0.0045739500000000 ]  - [   0.0009363000000000,  0.0022978300000000,  0.0045739500000000 ]  - [   0.0004855500000000, -0.0001263000000000,  0.0001851800000000 ]  - [  -0.0001334000000000,  0.0004836400000000,  0.0001851800000000 ]  - [  -0.0003521500000000, -0.0003573500000000,  0.0001851800000000 ]  - [  -0.0010066200000000, -0.0001068400000000, -0.0006756600000000 ]  - [   0.0005958400000000, -0.0008183400000000, -0.0006756600000000 ]  - [   0.0004107900000000,  0.0009251800000000, -0.0006756600000000 ]  - [  -0.0005445800000000,  0.0000857600000000, -0.0002278200000000 ]  - [   0.0001980200000000, -0.0005145000000000, -0.0002278200000000 ]  - [   0.0003465600000000,  0.0004287400000000, -0.0002278200000000 ]  - [   0.0005968300000000,  0.0000650600000000, -0.0004159400000000 ]  - [  -0.0003547600000000,  0.0004843500000000, -0.0004159400000000 ]  - [  -0.0002420800000000, -0.0005494000000000, -0.0004159400000000 ]  - [   0.0007212700000000, -0.0000781000000000, -0.0003554700000000 ]  - [  -0.0002930000000000,  0.0006636900000000, -0.0003554700000000 ]  - [  -0.0004282800000000, -0.0005855900000000, -0.0003554700000000 ]  - [  -0.0007743400000000, -0.0000561000000000, -0.0001688600000000 ]  - [   0.0004357500000000, -0.0006425500000000, -0.0001688600000000 ]  - [   0.0003385900000000,  0.0006986500000000, -0.0001688600000000 ]  - [  -0.0003108600000000,  0.0000345200000000, -0.0007368800000000 ]  - [   0.0001255400000000, -0.0002864800000000, -0.0007368800000000 ]  - [   0.0001853300000000,  0.0002519600000000, -0.0007368800000000 ]  - [   0.0008371300000000,  0.0000165100000000,  0.0001266700000000 ]  - [  -0.0004328600000000,  0.0007167200000000,  0.0001266700000000 ]  - [  -0.0004042700000000, -0.0007332300000000,  0.0001266700000000 ]  - [   0.0036336200000000, -0.0004595300000000,  0.0044992100000000 ]  - [  -0.0014188500000000,  0.0033765700000000,  0.0044992100000000 ]  - [  -0.0022147700000000, -0.0029170400000000,  0.0044992100000000 ]  - [  -0.0005624400000000, -0.0000488400000000,  0.0005502100000000 ]  - [   0.0003235100000000, -0.0004626600000000,  0.0005502100000000 ]  - [   0.0002389200000000,  0.0005115000000000,  0.0005502100000000 ]  - [  -0.0007627500000000,  0.0000958400000000,  0.0004924000000000 ]  - [   0.0002983700000000, -0.0007084800000000,  0.0004924000000000 ]  - [   0.0004643800000000,  0.0006126400000000,  0.0004924000000000 ]  - [   0.0000331900000000,  0.0003497300000000,  0.0006084900000000 ]  - [  -0.0003194700000000, -0.0001461200000000,  0.0006084900000000 ]  - [   0.0002862800000000, -0.0002036100000000,  0.0006084900000000 ]  - [  -0.0001211700000000, -0.0006397300000000, -0.0000458800000000 ]  - [   0.0006146100000000,  0.0002149200000000, -0.0000458800000000 ]  - [  -0.0004934300000000,  0.0004248000000000, -0.0000458800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0330696300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007770200000000 ]  - [  -0.0003144500000000,  0.0003375200000000,  0.0006069200000000 ]  - [  -0.0001350700000000, -0.0004410800000000,  0.0006069200000000 ]  - [   0.0004495300000000,  0.0001035600000000,  0.0006069200000000 ]  - [   0.0001493500000000,  0.0000403300000000,  0.0004048200000000 ]  - [  -0.0001096000000000,  0.0001091800000000,  0.0004048200000000 ]  - [  -0.0000397500000000, -0.0001495000000000,  0.0004048200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002231200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001888800000000 ]  - [  -0.0001472700000000, -0.0000047100000000, -0.0007224300000000 ]  - [   0.0000777100000000, -0.0001251900000000, -0.0007224300000000 ]  - [   0.0000695600000000,  0.0001298900000000, -0.0007224300000000 ]  - [   0.0004029800000000, -0.0006294600000000, -0.0000426200000000 ]  - [   0.0003436400000000,  0.0006637200000000, -0.0000426200000000 ]  - [  -0.0007466200000000, -0.0000342600000000, -0.0000426200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002246900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001904500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006612000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032404400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005529500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005539500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032276100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006584500000000 ]- atom:   61  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001655700000000,  0.0008769100000000, -0.0001700200000000 ]  - [  -0.0002781900000000, -0.0001155100000000, -0.0001342200000000 ]  - [  -0.0017172900000000, -0.0010525500000000,  0.0002107000000000 ]  - [   0.0092774800000000, -0.0009317000000000, -0.0030771000000000 ]  - [   0.0039248500000000, -0.0013733800000000,  0.0013802400000000 ]  - [   0.0052196300000000,  0.0021007500000000,  0.0020175800000000 ]  - [  -0.0008765000000000, -0.0004446600000000,  0.0003044000000000 ]  - [  -0.0000860600000000, -0.0003793900000000, -0.0003703200000000 ]  - [   0.0003815900000000,  0.0007196700000000,  0.0001557500000000 ]  - [  -0.0010753400000000,  0.0005922100000000,  0.0003514500000000 ]  - [   0.0004081900000000, -0.0006918700000000,  0.0000704400000000 ]  - [  -0.0002787700000000,  0.0002718000000000, -0.0005158200000000 ]  - [   0.0008649500000000,  0.0000532800000000,  0.0001906200000000 ]  - [  -0.0003066500000000,  0.0004806400000000, -0.0001288200000000 ]  - [  -0.0001540200000000, -0.0005402500000000, -0.0001501900000000 ]  - [   0.0005790700000000, -0.0000955600000000, -0.0000754400000000 ]  - [  -0.0003933600000000,  0.0007341500000000,  0.0001708700000000 ]  - [  -0.0003600000000000, -0.0004430000000000, -0.0000009700000000 ]  - [  -0.0004534200000000, -0.0000902500000000,  0.0002511700000000 ]  - [   0.0004774300000000, -0.0005915600000000, -0.0000711800000000 ]  - [   0.0003815800000000,  0.0006751100000000, -0.0000917900000000 ]  - [  -0.0007416600000000,  0.0000467700000000, -0.0001362200000000 ]  - [   0.0001439600000000, -0.0004791100000000,  0.0001116800000000 ]  - [   0.0004239100000000,  0.0006298900000000, -0.0000619400000000 ]  - [   0.0004430800000000, -0.0003074800000000,  0.0002451500000000 ]  - [  -0.0008684400000000,  0.0006897700000000, -0.0004287200000000 ]  - [  -0.0001571800000000, -0.0004927900000000,  0.0000957800000000 ]  - [   0.0002438400000000,  0.0004583800000000,  0.0004126000000000 ]  - [  -0.0001312000000000,  0.0005232700000000,  0.0001289600000000 ]  - [  -0.0010614400000000, -0.0007995000000000, -0.0004557200000000 ]  - [  -0.0011564300000000,  0.0007314800000000, -0.0001078100000000 ]  - [   0.0005045300000000, -0.0011868900000000, -0.0000728600000000 ]  - [  -0.0011844600000000,  0.0001545500000000,  0.0002722300000000 ]  - [   0.0083491000000000, -0.0008525600000000, -0.0034519500000000 ]  - [   0.0044637300000000, -0.0025441100000000,  0.0012834100000000 ]  - [   0.0059379400000000,  0.0030462100000000,  0.0018444300000000 ]  - [   0.0011132900000000,  0.0001566900000000, -0.0009810400000000 ]  - [   0.0002855500000000, -0.0005458000000000,  0.0003727900000000 ]  - [   0.0002873400000000,  0.0008619800000000,  0.0006087400000000 ]  - [  -0.0005593600000000, -0.0015104900000000, -0.0004996400000000 ]  - [  -0.0000204700000000,  0.0019757900000000, -0.0008047000000000 ]  - [   0.0024762200000000, -0.0005987700000000,  0.0013038200000000 ]  - [   0.0003974500000000, -0.0000112200000000, -0.0000009600000000 ]  - [   0.0001070000000000, -0.0000098600000000,  0.0000004400000000 ]  - [  -0.0002014300000000,  0.0000506000000000,  0.0000012700000000 ]  - [   0.0001553200000000, -0.0001231200000000,  0.0000683400000000 ]  - [   0.0000177800000000,  0.0000547300000000, -0.0000699400000000 ]  - [   0.0000943200000000,  0.0000739300000000,  0.0000013100000000 ]  - [  -0.0000123000000000,  0.0001217500000000,  0.0000684700000000 ]  - [  -0.0001086700000000, -0.0002095300000000, -0.0000689500000000 ]  - [  -0.0016594600000000,  0.0000118400000000, -0.0000074300000000 ]  - [  -0.0016670300000000,  0.0000109000000000,  0.0000074700000000 ]  - [  -0.0008614900000000, -0.0014851000000000, -0.0004935500000000 ]  - [   0.0000991400000000,  0.0017096600000000, -0.0008020300000000 ]  - [   0.0026386800000000, -0.0003545900000000,  0.0012956900000000 ]  - [   0.0013821500000000,  0.0001589100000000, -0.0009883000000000 ]  - [   0.0001584700000000, -0.0003221100000000,  0.0003776500000000 ]  - [   0.0001575100000000,  0.0006382600000000,  0.0006100600000000 ]  - [   0.0001090100000000, -0.0000053700000000, -0.0000003100000000 ]  - [   0.0003951000000000, -0.0000118400000000,  0.0000008400000000 ]  - [  -0.0374937600000000,  0.0000010600000000,  0.0000034000000000 ]  - [   0.0006037900000000,  0.0000076500000000,  0.0000000600000000 ]  - [   0.0004224800000000,  0.0000017800000000,  0.0000004500000000 ]  - [  -0.0002550700000000, -0.0000330000000000,  0.0000004300000000 ]  - [   0.0004232300000000, -0.0000010300000000, -0.0000004400000000 ]  - [   0.0006052000000000,  0.0000135900000000, -0.0000002800000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0004306800000000,  0.0001760700000000,  0.0006988800000000 ]  - [  -0.0003678200000000,  0.0002849500000000,  0.0006988800000000 ]  - [  -0.0000628600000000, -0.0004610100000000,  0.0006988800000000 ]  - [  -0.0030448500000000,  0.0004455500000000,  0.0064091400000000 ]  - [   0.0011365700000000, -0.0028597000000000,  0.0064091400000000 ]  - [   0.0019082900000000,  0.0024141400000000,  0.0064091400000000 ]  - [  -0.0005074300000000,  0.0000200400000000, -0.0001821400000000 ]  - [   0.0002363600000000, -0.0004494700000000, -0.0001821400000000 ]  - [   0.0002710700000000,  0.0004294300000000, -0.0001821400000000 ]  - [  -0.0003687400000000, -0.0001220100000000, -0.0002472100000000 ]  - [   0.0002900400000000, -0.0002583300000000, -0.0002472100000000 ]  - [   0.0000787000000000,  0.0003803400000000, -0.0002472100000000 ]  - [   0.0009282100000000,  0.0001384400000000, -0.0011575200000000 ]  - [  -0.0005840000000000,  0.0007346300000000, -0.0011575200000000 ]  - [  -0.0003442100000000, -0.0008730700000000, -0.0011575200000000 ]  - [   0.0006534800000000, -0.0000668700000000, -0.0005175300000000 ]  - [  -0.0002688200000000,  0.0005993600000000, -0.0005175300000000 ]  - [  -0.0003846500000000, -0.0005324900000000, -0.0005175300000000 ]  - [  -0.0003906100000000, -0.0000025200000000, -0.0010917100000000 ]  - [   0.0001974900000000, -0.0003370100000000, -0.0010917100000000 ]  - [   0.0001931200000000,  0.0003395400000000, -0.0010917100000000 ]  - [  -0.0006649000000000,  0.0000737800000000, -0.0005812600000000 ]  - [   0.0002685600000000, -0.0006127100000000, -0.0005812600000000 ]  - [   0.0003963400000000,  0.0005389300000000, -0.0005812600000000 ]  - [   0.0008106900000000,  0.0001571200000000, -0.0002462400000000 ]  - [  -0.0005414200000000,  0.0006235200000000, -0.0002462400000000 ]  - [  -0.0002692700000000, -0.0007806400000000, -0.0002462400000000 ]  - [   0.0009506100000000, -0.0002590500000000, -0.0001864000000000 ]  - [  -0.0002509600000000,  0.0009527700000000, -0.0001864000000000 ]  - [  -0.0006996400000000, -0.0006937300000000, -0.0001864000000000 ]  - [  -0.0008866300000000,  0.0000352900000000,  0.0007623800000000 ]  - [   0.0004127500000000, -0.0007854900000000,  0.0007623800000000 ]  - [   0.0004738800000000,  0.0007502000000000,  0.0007623800000000 ]  - [  -0.0041513800000000,  0.0005580300000000,  0.0062278400000000 ]  - [   0.0015924200000000, -0.0038742100000000,  0.0062278400000000 ]  - [   0.0025589500000000,  0.0033161800000000,  0.0062278400000000 ]  - [  -0.0008760500000000, -0.0000975400000000,  0.0007270200000000 ]  - [   0.0005225000000000, -0.0007099200000000,  0.0007270200000000 ]  - [   0.0003535600000000,  0.0008074600000000,  0.0007270200000000 ]  - [  -0.0003227800000000,  0.0010590700000000, -0.0013196800000000 ]  - [  -0.0007557900000000, -0.0008090700000000, -0.0013196800000000 ]  - [   0.0010785700000000, -0.0002500000000000, -0.0013196800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006597900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005534100000000 ]  - [  -0.0002085200000000, -0.0000671800000000,  0.0006336700000000 ]  - [   0.0001624400000000, -0.0001469900000000,  0.0006336700000000 ]  - [   0.0000460800000000,  0.0002141700000000,  0.0006336700000000 ]  - [   0.0000805700000000, -0.0000460900000000,  0.0006327900000000 ]  - [  -0.0000003700000000,  0.0000928200000000,  0.0006327900000000 ]  - [  -0.0000802000000000, -0.0000467300000000,  0.0006327900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032386900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032284000000000 ]  - [  -0.0006156900000000,  0.0010887200000000, -0.0013147700000000 ]  - [  -0.0006350100000000, -0.0010775700000000, -0.0013147700000000 ]  - [   0.0012507100000000, -0.0000111500000000, -0.0013147700000000 ]  - [  -0.0006188300000000, -0.0000973300000000,  0.0007277700000000 ]  - [   0.0003937100000000, -0.0004872600000000,  0.0007277700000000 ]  - [   0.0002251300000000,  0.0005845900000000,  0.0007277700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005539900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006594500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0393618900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002993100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006754000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024258900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006768600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002972700000000 ]