# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ac140049-9177-4731-b4cf-cc2f6d42625e/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 Ba3In2(HO)12 / Ia-3d (230) / materials id 740719](https://mdr.nims.go.jp/datasets/df45dac7-4484-4b03-8141-6697d212a329)

## 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: "Ia-3d"  number: 230  Hall_symbol: "-I 4bd 2c 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -7.028504090000000,     7.028504090000000,     7.028504090000000 ] # a  - [     7.028504090000000,    -7.028504090000000,     7.028504090000000 ] # b  - [     7.028504090000000,     7.028504090000000,    -7.028504090000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.125000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 137.327000  - symbol: Ba # 2    coordinates: [  0.375000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 137.327000  - symbol: Ba # 3    coordinates: [  0.375000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 137.327000  - symbol: Ba # 4    coordinates: [  0.125000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 137.327000  - symbol: Ba # 5    coordinates: [  0.750000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 137.327000  - symbol: Ba # 6    coordinates: [  0.250000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 137.327000  - symbol: Ba # 7    coordinates: [  0.875000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 137.327000  - symbol: Ba # 8    coordinates: [  0.625000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 137.327000  - symbol: Ba # 9    coordinates: [  0.625000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 137.327000  - symbol: Ba # 10    coordinates: [  0.875000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 137.327000  - symbol: Ba # 11    coordinates: [  0.250000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 137.327000  - symbol: Ba # 12    coordinates: [  0.750000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 137.327000  - symbol: In # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 17    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: In # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000  - symbol: In # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000  - symbol: H  # 21    coordinates: [  0.946360130000000,  0.247554410000000,  0.887948380000000 ]    mass: 1.007940  - symbol: H  # 22    coordinates: [  0.859606030000000,  0.058411750000000,  0.612051620000000 ]    mass: 1.007940  - symbol: H  # 23    coordinates: [  0.640393970000000,  0.252445590000000,  0.198805720000000 ]    mass: 1.007940  - symbol: H  # 24    coordinates: [  0.553639870000000,  0.441588250000000,  0.301194280000000 ]    mass: 1.007940  - symbol: H  # 25    coordinates: [  0.247554410000000,  0.887948380000000,  0.946360130000000 ]    mass: 1.007940  - symbol: H  # 26    coordinates: [  0.058411750000000,  0.612051620000000,  0.859606030000000 ]    mass: 1.007940  - symbol: H  # 27    coordinates: [  0.252445590000000,  0.198805720000000,  0.640393970000000 ]    mass: 1.007940  - symbol: H  # 28    coordinates: [  0.441588250000000,  0.301194280000000,  0.553639870000000 ]    mass: 1.007940  - symbol: H  # 29    coordinates: [  0.887948380000000,  0.946360130000000,  0.247554410000000 ]    mass: 1.007940  - symbol: H  # 30    coordinates: [  0.612051620000000,  0.859606030000000,  0.058411750000000 ]    mass: 1.007940  - symbol: H  # 31    coordinates: [  0.198805720000000,  0.640393970000000,  0.252445590000000 ]    mass: 1.007940  - symbol: H  # 32    coordinates: [  0.301194280000000,  0.553639870000000,  0.441588250000000 ]    mass: 1.007940  - symbol: H  # 33    coordinates: [  0.053639870000000,  0.752445590000000,  0.112051620000000 ]    mass: 1.007940  - symbol: H  # 34    coordinates: [  0.140393970000000,  0.941588250000000,  0.387948380000000 ]    mass: 1.007940  - symbol: H  # 35    coordinates: [  0.359606030000000,  0.747554410000000,  0.801194280000000 ]    mass: 1.007940  - symbol: H  # 36    coordinates: [  0.446360130000000,  0.558411750000000,  0.698805720000000 ]    mass: 1.007940  - symbol: H  # 37    coordinates: [  0.752445590000000,  0.112051620000000,  0.053639870000000 ]    mass: 1.007940  - symbol: H  # 38    coordinates: [  0.941588250000000,  0.387948380000000,  0.140393970000000 ]    mass: 1.007940  - symbol: H  # 39    coordinates: [  0.747554410000000,  0.801194280000000,  0.359606030000000 ]    mass: 1.007940  - symbol: H  # 40    coordinates: [  0.558411750000000,  0.698805720000000,  0.446360130000000 ]    mass: 1.007940  - symbol: H  # 41    coordinates: [  0.112051620000000,  0.053639870000000,  0.752445590000000 ]    mass: 1.007940  - symbol: H  # 42    coordinates: [  0.387948380000000,  0.140393970000000,  0.941588250000000 ]    mass: 1.007940  - symbol: H  # 43    coordinates: [  0.801194280000000,  0.359606030000000,  0.747554410000000 ]    mass: 1.007940  - symbol: H  # 44    coordinates: [  0.698805720000000,  0.446360130000000,  0.558411750000000 ]    mass: 1.007940  - symbol: H  # 45    coordinates: [  0.446360130000000,  0.387948380000000,  0.747554410000000 ]    mass: 1.007940  - symbol: H  # 46    coordinates: [  0.359606030000000,  0.112051620000000,  0.558411750000000 ]    mass: 1.007940  - symbol: H  # 47    coordinates: [  0.140393970000000,  0.698805720000000,  0.752445590000000 ]    mass: 1.007940  - symbol: H  # 48    coordinates: [  0.053639870000000,  0.801194280000000,  0.941588250000000 ]    mass: 1.007940  - symbol: H  # 49    coordinates: [  0.747554410000000,  0.446360130000000,  0.387948380000000 ]    mass: 1.007940  - symbol: H  # 50    coordinates: [  0.558411750000000,  0.359606030000000,  0.112051620000000 ]    mass: 1.007940  - symbol: H  # 51    coordinates: [  0.752445590000000,  0.140393970000000,  0.698805720000000 ]    mass: 1.007940  - symbol: H  # 52    coordinates: [  0.941588250000000,  0.053639870000000,  0.801194280000000 ]    mass: 1.007940  - symbol: H  # 53    coordinates: [  0.387948380000000,  0.747554410000000,  0.446360130000000 ]    mass: 1.007940  - symbol: H  # 54    coordinates: [  0.112051620000000,  0.558411750000000,  0.359606030000000 ]    mass: 1.007940  - symbol: H  # 55    coordinates: [  0.698805720000000,  0.752445590000000,  0.140393970000000 ]    mass: 1.007940  - symbol: H  # 56    coordinates: [  0.801194280000000,  0.941588250000000,  0.053639870000000 ]    mass: 1.007940  - symbol: H  # 57    coordinates: [  0.553639870000000,  0.612051620000000,  0.252445590000000 ]    mass: 1.007940  - symbol: H  # 58    coordinates: [  0.640393970000000,  0.887948380000000,  0.441588250000000 ]    mass: 1.007940  - symbol: H  # 59    coordinates: [  0.859606030000000,  0.301194280000000,  0.247554410000000 ]    mass: 1.007940  - symbol: H  # 60    coordinates: [  0.946360130000000,  0.198805720000000,  0.058411750000000 ]    mass: 1.007940  - symbol: H  # 61    coordinates: [  0.252445590000000,  0.553639870000000,  0.612051620000000 ]    mass: 1.007940  - symbol: H  # 62    coordinates: [  0.441588250000000,  0.640393970000000,  0.887948380000000 ]    mass: 1.007940  - symbol: H  # 63    coordinates: [  0.247554410000000,  0.859606030000000,  0.301194280000000 ]    mass: 1.007940  - symbol: H  # 64    coordinates: [  0.058411750000000,  0.946360130000000,  0.198805720000000 ]    mass: 1.007940  - symbol: H  # 65    coordinates: [  0.612051620000000,  0.252445590000000,  0.553639870000000 ]    mass: 1.007940  - symbol: H  # 66    coordinates: [  0.887948380000000,  0.441588250000000,  0.640393970000000 ]    mass: 1.007940  - symbol: H  # 67    coordinates: [  0.301194280000000,  0.247554410000000,  0.859606030000000 ]    mass: 1.007940  - symbol: H  # 68    coordinates: [  0.198805720000000,  0.058411750000000,  0.946360130000000 ]    mass: 1.007940  - symbol: O  # 69    coordinates: [  0.023963030000000,  0.328072380000000,  0.911105110000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.916967270000000,  0.112857920000000,  0.588894890000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.583032730000000,  0.171927620000000,  0.195890650000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.476036970000000,  0.387142080000000,  0.304109350000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.328072380000000,  0.911105110000000,  0.023963030000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.112857920000000,  0.588894890000000,  0.916967270000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.171927620000000,  0.195890650000000,  0.583032730000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.387142080000000,  0.304109350000000,  0.476036970000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.911105110000000,  0.023963030000000,  0.328072380000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.588894890000000,  0.916967270000000,  0.112857920000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.195890650000000,  0.583032730000000,  0.171927620000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.304109350000000,  0.476036970000000,  0.387142080000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.976036970000000,  0.671927620000000,  0.088894890000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.083032730000000,  0.887142080000000,  0.411105110000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.416967270000000,  0.828072380000000,  0.804109350000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.523963030000000,  0.612857920000000,  0.695890650000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.671927620000000,  0.088894890000000,  0.976036970000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.887142080000000,  0.411105110000000,  0.083032730000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.828072380000000,  0.804109350000000,  0.416967270000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.612857920000000,  0.695890650000000,  0.523963030000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.088894890000000,  0.976036970000000,  0.671927620000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.411105110000000,  0.083032730000000,  0.887142080000000 ]    mass: 15.999400  - symbol: O  # 91    coordinates: [  0.804109350000000,  0.416967270000000,  0.828072380000000 ]    mass: 15.999400  - symbol: O  # 92    coordinates: [  0.695890650000000,  0.523963030000000,  0.612857920000000 ]    mass: 15.999400  - symbol: O  # 93    coordinates: [  0.523963030000000,  0.411105110000000,  0.828072380000000 ]    mass: 15.999400  - symbol: O  # 94    coordinates: [  0.416967270000000,  0.088894890000000,  0.612857920000000 ]    mass: 15.999400  - symbol: O  # 95    coordinates: [  0.083032730000000,  0.695890650000000,  0.671927620000000 ]    mass: 15.999400  - symbol: O  # 96    coordinates: [  0.976036970000000,  0.804109350000000,  0.887142080000000 ]    mass: 15.999400  - symbol: O  # 97    coordinates: [  0.828072380000000,  0.523963030000000,  0.411105110000000 ]    mass: 15.999400  - symbol: O  # 98    coordinates: [  0.612857920000000,  0.416967270000000,  0.088894890000000 ]    mass: 15.999400  - symbol: O  # 99    coordinates: [  0.671927620000000,  0.083032730000000,  0.695890650000000 ]    mass: 15.999400  - symbol: O  # 100    coordinates: [  0.887142080000000,  0.976036970000000,  0.804109350000000 ]    mass: 15.999400  - symbol: O  # 101    coordinates: [  0.411105110000000,  0.828072380000000,  0.523963030000000 ]    mass: 15.999400  - symbol: O  # 102    coordinates: [  0.088894890000000,  0.612857920000000,  0.416967270000000 ]    mass: 15.999400  - symbol: O  # 103    coordinates: [  0.695890650000000,  0.671927620000000,  0.083032730000000 ]    mass: 15.999400  - symbol: O  # 104    coordinates: [  0.804109350000000,  0.887142080000000,  0.976036970000000 ]    mass: 15.999400  - symbol: O  # 105    coordinates: [  0.476036970000000,  0.588894890000000,  0.171927620000000 ]    mass: 15.999400  - symbol: O  # 106    coordinates: [  0.583032730000000,  0.911105110000000,  0.387142080000000 ]    mass: 15.999400  - symbol: O  # 107    coordinates: [  0.916967270000000,  0.304109350000000,  0.328072380000000 ]    mass: 15.999400  - symbol: O  # 108    coordinates: [  0.023963030000000,  0.195890650000000,  0.112857920000000 ]    mass: 15.999400  - symbol: O  # 109    coordinates: [  0.171927620000000,  0.476036970000000,  0.588894890000000 ]    mass: 15.999400  - symbol: O  # 110    coordinates: [  0.387142080000000,  0.583032730000000,  0.911105110000000 ]    mass: 15.999400  - symbol: O  # 111    coordinates: [  0.328072380000000,  0.916967270000000,  0.304109350000000 ]    mass: 15.999400  - symbol: O  # 112    coordinates: [  0.112857920000000,  0.023963030000000,  0.195890650000000 ]    mass: 15.999400  - symbol: O  # 113    coordinates: [  0.588894890000000,  0.171927620000000,  0.476036970000000 ]    mass: 15.999400  - symbol: O  # 114    coordinates: [  0.911105110000000,  0.387142080000000,  0.583032730000000 ]    mass: 15.999400  - symbol: O  # 115    coordinates: [  0.304109350000000,  0.328072380000000,  0.916967270000000 ]    mass: 15.999400  - symbol: O  # 116    coordinates: [  0.195890650000000,  0.112857920000000,  0.023963030000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.071138892941869,     0.071138892941869 ] # a*  - [     0.071138892941869,     0.000000000000000,     0.071138892941869 ] # b*  - [     0.071138892941869,     0.071138892941869,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    14.057008180000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.057008180000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.057008180000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.250000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.250000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 5    coordinates: [  0.875000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.125000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Ba # 7    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 8    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 137.327000    reduced_to: 8  - symbol: Ba # 9    coordinates: [  0.250000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 10    coordinates: [  0.250000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 10  - symbol: Ba # 11    coordinates: [  0.625000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 11  - symbol: Ba # 12    coordinates: [  0.375000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 12  - symbol: Ba # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 14    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 15    coordinates: [  0.750000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 16    coordinates: [  0.750000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 17    coordinates: [  0.375000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 18    coordinates: [  0.625000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Ba # 19    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 20    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 137.327000    reduced_to: 8  - symbol: Ba # 21    coordinates: [  0.750000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 22    coordinates: [  0.750000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 10  - symbol: Ba # 23    coordinates: [  0.125000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 11  - symbol: Ba # 24    coordinates: [  0.875000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 12  - symbol: In # 25    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 26  - symbol: In # 27    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 27  - symbol: In # 28    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 28  - symbol: In # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 30  - symbol: In # 31    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 31  - symbol: In # 32    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 32  - symbol: In # 33    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 34    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 26  - symbol: In # 35    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 27  - symbol: In # 36    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 28  - symbol: In # 37    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 30  - symbol: In # 39    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 31  - symbol: In # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 32  - symbol: H  # 41    coordinates: [  0.094571330000000,  0.793377050000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 42    coordinates: [  0.905428670000000,  0.706622950000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 42  - symbol: H  # 43    coordinates: [  0.905428670000000,  0.293377050000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 43  - symbol: H  # 44    coordinates: [  0.094571330000000,  0.206622950000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 44  - symbol: H  # 45    coordinates: [  0.793377050000000,  0.152983080000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 45  - symbol: H  # 46    coordinates: [  0.706622950000000,  0.152983080000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 47    coordinates: [  0.293377050000000,  0.347016920000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 47  - symbol: H  # 48    coordinates: [  0.206622950000000,  0.347016920000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 48  - symbol: H  # 49    coordinates: [  0.152983080000000,  0.094571330000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 50    coordinates: [  0.152983080000000,  0.905428670000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 50  - symbol: H  # 51    coordinates: [  0.347016920000000,  0.905428670000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 51  - symbol: H  # 52    coordinates: [  0.347016920000000,  0.094571330000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 52  - symbol: H  # 53    coordinates: [  0.405428670000000,  0.706622950000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 53  - symbol: H  # 54    coordinates: [  0.594571330000000,  0.793377050000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 54  - symbol: H  # 55    coordinates: [  0.594571330000000,  0.206622950000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 56    coordinates: [  0.405428670000000,  0.293377050000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 56  - symbol: H  # 57    coordinates: [  0.706622950000000,  0.347016920000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 58    coordinates: [  0.793377050000000,  0.347016920000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 58  - symbol: H  # 59    coordinates: [  0.206622950000000,  0.152983080000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 59  - symbol: H  # 60    coordinates: [  0.293377050000000,  0.152983080000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 60  - symbol: H  # 61    coordinates: [  0.347016920000000,  0.405428670000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 62    coordinates: [  0.347016920000000,  0.594571330000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 62  - symbol: H  # 63    coordinates: [  0.152983080000000,  0.594571330000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 63  - symbol: H  # 64    coordinates: [  0.152983080000000,  0.405428670000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 65    coordinates: [  0.344571330000000,  0.402983080000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 65  - symbol: H  # 66    coordinates: [  0.155428670000000,  0.402983080000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 66  - symbol: H  # 67    coordinates: [  0.655428670000000,  0.097016920000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 67  - symbol: H  # 68    coordinates: [  0.844571330000000,  0.097016920000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 68  - symbol: H  # 69    coordinates: [  0.043377050000000,  0.344571330000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 69  - symbol: H  # 70    coordinates: [  0.956622950000000,  0.155428670000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 70  - symbol: H  # 71    coordinates: [  0.043377050000000,  0.655428670000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 71  - symbol: H  # 72    coordinates: [  0.956622950000000,  0.844571330000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 72  - symbol: H  # 73    coordinates: [  0.402983080000000,  0.043377050000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 74    coordinates: [  0.402983080000000,  0.956622950000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 74  - symbol: H  # 75    coordinates: [  0.097016920000000,  0.043377050000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 75  - symbol: H  # 76    coordinates: [  0.097016920000000,  0.956622950000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 76  - symbol: H  # 77    coordinates: [  0.155428670000000,  0.097016920000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 77  - symbol: H  # 78    coordinates: [  0.344571330000000,  0.097016920000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 78  - symbol: H  # 79    coordinates: [  0.844571330000000,  0.402983080000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 79  - symbol: H  # 80    coordinates: [  0.655428670000000,  0.402983080000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 80  - symbol: H  # 81    coordinates: [  0.456622950000000,  0.155428670000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 81  - symbol: H  # 82    coordinates: [  0.543377050000000,  0.344571330000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 82  - symbol: H  # 83    coordinates: [  0.456622950000000,  0.844571330000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 83  - symbol: H  # 84    coordinates: [  0.543377050000000,  0.655428670000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 84  - symbol: H  # 85    coordinates: [  0.097016920000000,  0.456622950000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 86    coordinates: [  0.097016920000000,  0.543377050000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 86  - symbol: H  # 87    coordinates: [  0.402983080000000,  0.456622950000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 87  - symbol: H  # 88    coordinates: [  0.402983080000000,  0.543377050000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 88  - symbol: H  # 89    coordinates: [  0.594571330000000,  0.293377050000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 90    coordinates: [  0.405428670000000,  0.206622950000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 42  - symbol: H  # 91    coordinates: [  0.405428670000000,  0.793377050000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 43  - symbol: H  # 92    coordinates: [  0.594571330000000,  0.706622950000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 44  - symbol: H  # 93    coordinates: [  0.293377050000000,  0.652983080000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 45  - symbol: H  # 94    coordinates: [  0.206622950000000,  0.652983080000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 95    coordinates: [  0.793377050000000,  0.847016920000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 47  - symbol: H  # 96    coordinates: [  0.706622950000000,  0.847016920000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 48  - symbol: H  # 97    coordinates: [  0.652983080000000,  0.594571330000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 98    coordinates: [  0.652983080000000,  0.405428670000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 50  - symbol: H  # 99    coordinates: [  0.847016920000000,  0.405428670000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 51  - symbol: H  # 100    coordinates: [  0.847016920000000,  0.594571330000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 52  - symbol: H  # 101    coordinates: [  0.905428670000000,  0.206622950000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 53  - symbol: H  # 102    coordinates: [  0.094571330000000,  0.293377050000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 54  - symbol: H  # 103    coordinates: [  0.094571330000000,  0.706622950000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 104    coordinates: [  0.905428670000000,  0.793377050000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 56  - symbol: H  # 105    coordinates: [  0.206622950000000,  0.847016920000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 106    coordinates: [  0.293377050000000,  0.847016920000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 58  - symbol: H  # 107    coordinates: [  0.706622950000000,  0.652983080000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 59  - symbol: H  # 108    coordinates: [  0.793377050000000,  0.652983080000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 60  - symbol: H  # 109    coordinates: [  0.847016920000000,  0.905428670000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 110    coordinates: [  0.847016920000000,  0.094571330000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 62  - symbol: H  # 111    coordinates: [  0.652983080000000,  0.094571330000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 63  - symbol: H  # 112    coordinates: [  0.652983080000000,  0.905428670000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 113    coordinates: [  0.844571330000000,  0.902983080000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 65  - symbol: H  # 114    coordinates: [  0.655428670000000,  0.902983080000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 66  - symbol: H  # 115    coordinates: [  0.155428670000000,  0.597016920000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 67  - symbol: H  # 116    coordinates: [  0.344571330000000,  0.597016920000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 68  - symbol: H  # 117    coordinates: [  0.543377050000000,  0.844571330000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 69  - symbol: H  # 118    coordinates: [  0.456622950000000,  0.655428670000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 70  - symbol: H  # 119    coordinates: [  0.543377050000000,  0.155428670000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 71  - symbol: H  # 120    coordinates: [  0.456622950000000,  0.344571330000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 72  - symbol: H  # 121    coordinates: [  0.902983080000000,  0.543377050000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 122    coordinates: [  0.902983080000000,  0.456622950000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 74  - symbol: H  # 123    coordinates: [  0.597016920000000,  0.543377050000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 75  - symbol: H  # 124    coordinates: [  0.597016920000000,  0.456622950000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 76  - symbol: H  # 125    coordinates: [  0.655428670000000,  0.597016920000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 77  - symbol: H  # 126    coordinates: [  0.844571330000000,  0.597016920000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 78  - symbol: H  # 127    coordinates: [  0.344571330000000,  0.902983080000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 79  - symbol: H  # 128    coordinates: [  0.155428670000000,  0.902983080000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 80  - symbol: H  # 129    coordinates: [  0.956622950000000,  0.655428670000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 81  - symbol: H  # 130    coordinates: [  0.043377050000000,  0.844571330000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 82  - symbol: H  # 131    coordinates: [  0.956622950000000,  0.344571330000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 83  - symbol: H  # 132    coordinates: [  0.043377050000000,  0.155428670000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 84  - symbol: H  # 133    coordinates: [  0.597016920000000,  0.956622950000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 134    coordinates: [  0.597016920000000,  0.043377050000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 86  - symbol: H  # 135    coordinates: [  0.902983080000000,  0.956622950000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 87  - symbol: H  # 136    coordinates: [  0.902983080000000,  0.043377050000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 88  - symbol: O  # 137    coordinates: [  0.607607230000000,  0.303497880000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 137  - symbol: O  # 138    coordinates: [  0.892392770000000,  0.696502120000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 138  - symbol: O  # 139    coordinates: [  0.892392770000000,  0.303497880000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 139  - symbol: O  # 140    coordinates: [  0.107607230000000,  0.196502120000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 140  - symbol: O  # 141    coordinates: [  0.303497880000000,  0.720465150000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 141  - symbol: O  # 142    coordinates: [  0.696502120000000,  0.220465150000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 142  - symbol: O  # 143    coordinates: [  0.303497880000000,  0.279534850000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 143  - symbol: O  # 144    coordinates: [  0.196502120000000,  0.279534850000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 144  - symbol: O  # 145    coordinates: [  0.720465150000000,  0.607607230000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 145  - symbol: O  # 146    coordinates: [  0.220465150000000,  0.892392770000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 146  - symbol: O  # 147    coordinates: [  0.279534850000000,  0.892392770000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 147  - symbol: O  # 148    coordinates: [  0.279534850000000,  0.107607230000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 148  - symbol: O  # 149    coordinates: [  0.892392770000000,  0.196502120000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 149  - symbol: O  # 150    coordinates: [  0.607607230000000,  0.803497880000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 150  - symbol: O  # 151    coordinates: [  0.607607230000000,  0.196502120000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 151  - symbol: O  # 152    coordinates: [  0.392392770000000,  0.303497880000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 152  - symbol: O  # 153    coordinates: [  0.196502120000000,  0.779534850000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 153  - symbol: O  # 154    coordinates: [  0.803497880000000,  0.279534850000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 154  - symbol: O  # 155    coordinates: [  0.196502120000000,  0.220465150000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 155  - symbol: O  # 156    coordinates: [  0.303497880000000,  0.220465150000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 156  - symbol: O  # 157    coordinates: [  0.779534850000000,  0.892392770000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 157  - symbol: O  # 158    coordinates: [  0.279534850000000,  0.607607230000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 158  - symbol: O  # 159    coordinates: [  0.220465150000000,  0.607607230000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 159  - symbol: O  # 160    coordinates: [  0.220465150000000,  0.392392770000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 160  - symbol: O  # 161    coordinates: [  0.357607230000000,  0.470465150000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 161  - symbol: O  # 162    coordinates: [  0.142392770000000,  0.470465150000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 162  - symbol: O  # 163    coordinates: [  0.642392770000000,  0.029534850000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 163  - symbol: O  # 164    coordinates: [  0.357607230000000,  0.529534850000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 164  - symbol: O  # 165    coordinates: [  0.053497880000000,  0.357607230000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 165  - symbol: O  # 166    coordinates: [  0.946502120000000,  0.142392770000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 166  - symbol: O  # 167    coordinates: [  0.053497880000000,  0.642392770000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 167  - symbol: O  # 168    coordinates: [  0.446502120000000,  0.357607230000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 168  - symbol: O  # 169    coordinates: [  0.470465150000000,  0.053497880000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 169  - symbol: O  # 170    coordinates: [  0.470465150000000,  0.946502120000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 170  - symbol: O  # 171    coordinates: [  0.029534850000000,  0.053497880000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 171  - symbol: O  # 172    coordinates: [  0.529534850000000,  0.446502120000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 172  - symbol: O  # 173    coordinates: [  0.142392770000000,  0.029534850000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 173  - symbol: O  # 174    coordinates: [  0.357607230000000,  0.029534850000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 174  - symbol: O  # 175    coordinates: [  0.857607230000000,  0.470465150000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 175  - symbol: O  # 176    coordinates: [  0.142392770000000,  0.970465150000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 176  - symbol: O  # 177    coordinates: [  0.446502120000000,  0.142392770000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 177  - symbol: O  # 178    coordinates: [  0.553497880000000,  0.357607230000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 178  - symbol: O  # 179    coordinates: [  0.446502120000000,  0.857607230000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 179  - symbol: O  # 180    coordinates: [  0.053497880000000,  0.142392770000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 180  - symbol: O  # 181    coordinates: [  0.029534850000000,  0.446502120000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 181  - symbol: O  # 182    coordinates: [  0.029534850000000,  0.553497880000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 182  - symbol: O  # 183    coordinates: [  0.470465150000000,  0.446502120000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 183  - symbol: O  # 184    coordinates: [  0.970465150000000,  0.053497880000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 184  - symbol: O  # 185    coordinates: [  0.107607230000000,  0.803497880000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 137  - symbol: O  # 186    coordinates: [  0.392392770000000,  0.196502120000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 138  - symbol: O  # 187    coordinates: [  0.392392770000000,  0.803497880000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 139  - symbol: O  # 188    coordinates: [  0.607607230000000,  0.696502120000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 140  - symbol: O  # 189    coordinates: [  0.803497880000000,  0.220465150000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 141  - symbol: O  # 190    coordinates: [  0.196502120000000,  0.720465150000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 142  - symbol: O  # 191    coordinates: [  0.803497880000000,  0.779534850000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 143  - symbol: O  # 192    coordinates: [  0.696502120000000,  0.779534850000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 144  - symbol: O  # 193    coordinates: [  0.220465150000000,  0.107607230000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 145  - symbol: O  # 194    coordinates: [  0.720465150000000,  0.392392770000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 146  - symbol: O  # 195    coordinates: [  0.779534850000000,  0.392392770000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 147  - symbol: O  # 196    coordinates: [  0.779534850000000,  0.607607230000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 148  - symbol: O  # 197    coordinates: [  0.392392770000000,  0.696502120000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 149  - symbol: O  # 198    coordinates: [  0.107607230000000,  0.303497880000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 150  - symbol: O  # 199    coordinates: [  0.107607230000000,  0.696502120000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 151  - symbol: O  # 200    coordinates: [  0.892392770000000,  0.803497880000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 152  - symbol: O  # 201    coordinates: [  0.696502120000000,  0.279534850000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 153  - symbol: O  # 202    coordinates: [  0.303497880000000,  0.779534850000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 154  - symbol: O  # 203    coordinates: [  0.696502120000000,  0.720465150000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 155  - symbol: O  # 204    coordinates: [  0.803497880000000,  0.720465150000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 156  - symbol: O  # 205    coordinates: [  0.279534850000000,  0.392392770000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 157  - symbol: O  # 206    coordinates: [  0.779534850000000,  0.107607230000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 158  - symbol: O  # 207    coordinates: [  0.720465150000000,  0.107607230000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 159  - symbol: O  # 208    coordinates: [  0.720465150000000,  0.892392770000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 160  - symbol: O  # 209    coordinates: [  0.857607230000000,  0.970465150000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 161  - symbol: O  # 210    coordinates: [  0.642392770000000,  0.970465150000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 162  - symbol: O  # 211    coordinates: [  0.142392770000000,  0.529534850000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 163  - symbol: O  # 212    coordinates: [  0.857607230000000,  0.029534850000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 164  - symbol: O  # 213    coordinates: [  0.553497880000000,  0.857607230000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 165  - symbol: O  # 214    coordinates: [  0.446502120000000,  0.642392770000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 166  - symbol: O  # 215    coordinates: [  0.553497880000000,  0.142392770000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 167  - symbol: O  # 216    coordinates: [  0.946502120000000,  0.857607230000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 168  - symbol: O  # 217    coordinates: [  0.970465150000000,  0.553497880000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 169  - symbol: O  # 218    coordinates: [  0.970465150000000,  0.446502120000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 170  - symbol: O  # 219    coordinates: [  0.529534850000000,  0.553497880000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 171  - symbol: O  # 220    coordinates: [  0.029534850000000,  0.946502120000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 172  - symbol: O  # 221    coordinates: [  0.642392770000000,  0.529534850000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 173  - symbol: O  # 222    coordinates: [  0.857607230000000,  0.529534850000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 174  - symbol: O  # 223    coordinates: [  0.357607230000000,  0.970465150000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 175  - symbol: O  # 224    coordinates: [  0.642392770000000,  0.470465150000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 176  - symbol: O  # 225    coordinates: [  0.946502120000000,  0.642392770000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 177  - symbol: O  # 226    coordinates: [  0.053497880000000,  0.857607230000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 178  - symbol: O  # 227    coordinates: [  0.946502120000000,  0.357607230000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 179  - symbol: O  # 228    coordinates: [  0.553497880000000,  0.642392770000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 180  - symbol: O  # 229    coordinates: [  0.529534850000000,  0.946502120000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 181  - symbol: O  # 230    coordinates: [  0.529534850000000,  0.053497880000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 182  - symbol: O  # 231    coordinates: [  0.970465150000000,  0.946502120000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 183  - symbol: O  # 232    coordinates: [  0.470465150000000,  0.553497880000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 184supercell:  lattice:  - [    14.057008180000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.057008180000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.057008180000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.250000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.250000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 5    coordinates: [  0.875000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.125000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Ba # 7    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 8    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 137.327000    reduced_to: 8  - symbol: Ba # 9    coordinates: [  0.250000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 10    coordinates: [  0.250000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 10  - symbol: Ba # 11    coordinates: [  0.625000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 11  - symbol: Ba # 12    coordinates: [  0.375000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 12  - symbol: Ba # 13    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 14    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 15    coordinates: [  0.750000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 16    coordinates: [  0.750000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 17    coordinates: [  0.375000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 18    coordinates: [  0.625000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Ba # 19    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 20    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 137.327000    reduced_to: 8  - symbol: Ba # 21    coordinates: [  0.750000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 22    coordinates: [  0.750000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 10  - symbol: Ba # 23    coordinates: [  0.125000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 11  - symbol: Ba # 24    coordinates: [  0.875000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 12  - symbol: In # 25    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 26  - symbol: In # 27    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 27  - symbol: In # 28    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 28  - symbol: In # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 30  - symbol: In # 31    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 31  - symbol: In # 32    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 32  - symbol: In # 33    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 34    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 26  - symbol: In # 35    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 27  - symbol: In # 36    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 28  - symbol: In # 37    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 30  - symbol: In # 39    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 31  - symbol: In # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 32  - symbol: H  # 41    coordinates: [  0.094571330000000,  0.793377050000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 42    coordinates: [  0.905428670000000,  0.706622950000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 42  - symbol: H  # 43    coordinates: [  0.905428670000000,  0.293377050000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 43  - symbol: H  # 44    coordinates: [  0.094571330000000,  0.206622950000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 44  - symbol: H  # 45    coordinates: [  0.793377050000000,  0.152983080000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 45  - symbol: H  # 46    coordinates: [  0.706622950000000,  0.152983080000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 47    coordinates: [  0.293377050000000,  0.347016920000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 47  - symbol: H  # 48    coordinates: [  0.206622950000000,  0.347016920000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 48  - symbol: H  # 49    coordinates: [  0.152983080000000,  0.094571330000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 50    coordinates: [  0.152983080000000,  0.905428670000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 50  - symbol: H  # 51    coordinates: [  0.347016920000000,  0.905428670000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 51  - symbol: H  # 52    coordinates: [  0.347016920000000,  0.094571330000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 52  - symbol: H  # 53    coordinates: [  0.405428670000000,  0.706622950000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 53  - symbol: H  # 54    coordinates: [  0.594571330000000,  0.793377050000000,  0.347016920000000 ]    mass: 1.007940    reduced_to: 54  - symbol: H  # 55    coordinates: [  0.594571330000000,  0.206622950000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 56    coordinates: [  0.405428670000000,  0.293377050000000,  0.152983080000000 ]    mass: 1.007940    reduced_to: 56  - symbol: H  # 57    coordinates: [  0.706622950000000,  0.347016920000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 58    coordinates: [  0.793377050000000,  0.347016920000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 58  - symbol: H  # 59    coordinates: [  0.206622950000000,  0.152983080000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 59  - symbol: H  # 60    coordinates: [  0.293377050000000,  0.152983080000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 60  - symbol: H  # 61    coordinates: [  0.347016920000000,  0.405428670000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 62    coordinates: [  0.347016920000000,  0.594571330000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 62  - symbol: H  # 63    coordinates: [  0.152983080000000,  0.594571330000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 63  - symbol: H  # 64    coordinates: [  0.152983080000000,  0.405428670000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 65    coordinates: [  0.344571330000000,  0.402983080000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 65  - symbol: H  # 66    coordinates: [  0.155428670000000,  0.402983080000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 66  - symbol: H  # 67    coordinates: [  0.655428670000000,  0.097016920000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 67  - symbol: H  # 68    coordinates: [  0.844571330000000,  0.097016920000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 68  - symbol: H  # 69    coordinates: [  0.043377050000000,  0.344571330000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 69  - symbol: H  # 70    coordinates: [  0.956622950000000,  0.155428670000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 70  - symbol: H  # 71    coordinates: [  0.043377050000000,  0.655428670000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 71  - symbol: H  # 72    coordinates: [  0.956622950000000,  0.844571330000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 72  - symbol: H  # 73    coordinates: [  0.402983080000000,  0.043377050000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 74    coordinates: [  0.402983080000000,  0.956622950000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 74  - symbol: H  # 75    coordinates: [  0.097016920000000,  0.043377050000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 75  - symbol: H  # 76    coordinates: [  0.097016920000000,  0.956622950000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 76  - symbol: H  # 77    coordinates: [  0.155428670000000,  0.097016920000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 77  - symbol: H  # 78    coordinates: [  0.344571330000000,  0.097016920000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 78  - symbol: H  # 79    coordinates: [  0.844571330000000,  0.402983080000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 79  - symbol: H  # 80    coordinates: [  0.655428670000000,  0.402983080000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 80  - symbol: H  # 81    coordinates: [  0.456622950000000,  0.155428670000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 81  - symbol: H  # 82    coordinates: [  0.543377050000000,  0.344571330000000,  0.097016920000000 ]    mass: 1.007940    reduced_to: 82  - symbol: H  # 83    coordinates: [  0.456622950000000,  0.844571330000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 83  - symbol: H  # 84    coordinates: [  0.543377050000000,  0.655428670000000,  0.402983080000000 ]    mass: 1.007940    reduced_to: 84  - symbol: H  # 85    coordinates: [  0.097016920000000,  0.456622950000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 86    coordinates: [  0.097016920000000,  0.543377050000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 86  - symbol: H  # 87    coordinates: [  0.402983080000000,  0.456622950000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 87  - symbol: H  # 88    coordinates: [  0.402983080000000,  0.543377050000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 88  - symbol: H  # 89    coordinates: [  0.594571330000000,  0.293377050000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 41  - symbol: H  # 90    coordinates: [  0.405428670000000,  0.206622950000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 42  - symbol: H  # 91    coordinates: [  0.405428670000000,  0.793377050000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 43  - symbol: H  # 92    coordinates: [  0.594571330000000,  0.706622950000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 44  - symbol: H  # 93    coordinates: [  0.293377050000000,  0.652983080000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 45  - symbol: H  # 94    coordinates: [  0.206622950000000,  0.652983080000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 46  - symbol: H  # 95    coordinates: [  0.793377050000000,  0.847016920000000,  0.405428670000000 ]    mass: 1.007940    reduced_to: 47  - symbol: H  # 96    coordinates: [  0.706622950000000,  0.847016920000000,  0.594571330000000 ]    mass: 1.007940    reduced_to: 48  - symbol: H  # 97    coordinates: [  0.652983080000000,  0.594571330000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 98    coordinates: [  0.652983080000000,  0.405428670000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 50  - symbol: H  # 99    coordinates: [  0.847016920000000,  0.405428670000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 51  - symbol: H  # 100    coordinates: [  0.847016920000000,  0.594571330000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 52  - symbol: H  # 101    coordinates: [  0.905428670000000,  0.206622950000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 53  - symbol: H  # 102    coordinates: [  0.094571330000000,  0.293377050000000,  0.847016920000000 ]    mass: 1.007940    reduced_to: 54  - symbol: H  # 103    coordinates: [  0.094571330000000,  0.706622950000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 55  - symbol: H  # 104    coordinates: [  0.905428670000000,  0.793377050000000,  0.652983080000000 ]    mass: 1.007940    reduced_to: 56  - symbol: H  # 105    coordinates: [  0.206622950000000,  0.847016920000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 57  - symbol: H  # 106    coordinates: [  0.293377050000000,  0.847016920000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 58  - symbol: H  # 107    coordinates: [  0.706622950000000,  0.652983080000000,  0.094571330000000 ]    mass: 1.007940    reduced_to: 59  - symbol: H  # 108    coordinates: [  0.793377050000000,  0.652983080000000,  0.905428670000000 ]    mass: 1.007940    reduced_to: 60  - symbol: H  # 109    coordinates: [  0.847016920000000,  0.905428670000000,  0.206622950000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 110    coordinates: [  0.847016920000000,  0.094571330000000,  0.293377050000000 ]    mass: 1.007940    reduced_to: 62  - symbol: H  # 111    coordinates: [  0.652983080000000,  0.094571330000000,  0.706622950000000 ]    mass: 1.007940    reduced_to: 63  - symbol: H  # 112    coordinates: [  0.652983080000000,  0.905428670000000,  0.793377050000000 ]    mass: 1.007940    reduced_to: 64  - symbol: H  # 113    coordinates: [  0.844571330000000,  0.902983080000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 65  - symbol: H  # 114    coordinates: [  0.655428670000000,  0.902983080000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 66  - symbol: H  # 115    coordinates: [  0.155428670000000,  0.597016920000000,  0.543377050000000 ]    mass: 1.007940    reduced_to: 67  - symbol: H  # 116    coordinates: [  0.344571330000000,  0.597016920000000,  0.456622950000000 ]    mass: 1.007940    reduced_to: 68  - symbol: H  # 117    coordinates: [  0.543377050000000,  0.844571330000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 69  - symbol: H  # 118    coordinates: [  0.456622950000000,  0.655428670000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 70  - symbol: H  # 119    coordinates: [  0.543377050000000,  0.155428670000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 71  - symbol: H  # 120    coordinates: [  0.456622950000000,  0.344571330000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 72  - symbol: H  # 121    coordinates: [  0.902983080000000,  0.543377050000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 122    coordinates: [  0.902983080000000,  0.456622950000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 74  - symbol: H  # 123    coordinates: [  0.597016920000000,  0.543377050000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 75  - symbol: H  # 124    coordinates: [  0.597016920000000,  0.456622950000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 76  - symbol: H  # 125    coordinates: [  0.655428670000000,  0.597016920000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 77  - symbol: H  # 126    coordinates: [  0.844571330000000,  0.597016920000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 78  - symbol: H  # 127    coordinates: [  0.344571330000000,  0.902983080000000,  0.956622950000000 ]    mass: 1.007940    reduced_to: 79  - symbol: H  # 128    coordinates: [  0.155428670000000,  0.902983080000000,  0.043377050000000 ]    mass: 1.007940    reduced_to: 80  - symbol: H  # 129    coordinates: [  0.956622950000000,  0.655428670000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 81  - symbol: H  # 130    coordinates: [  0.043377050000000,  0.844571330000000,  0.597016920000000 ]    mass: 1.007940    reduced_to: 82  - symbol: H  # 131    coordinates: [  0.956622950000000,  0.344571330000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 83  - symbol: H  # 132    coordinates: [  0.043377050000000,  0.155428670000000,  0.902983080000000 ]    mass: 1.007940    reduced_to: 84  - symbol: H  # 133    coordinates: [  0.597016920000000,  0.956622950000000,  0.655428670000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 134    coordinates: [  0.597016920000000,  0.043377050000000,  0.844571330000000 ]    mass: 1.007940    reduced_to: 86  - symbol: H  # 135    coordinates: [  0.902983080000000,  0.956622950000000,  0.344571330000000 ]    mass: 1.007940    reduced_to: 87  - symbol: H  # 136    coordinates: [  0.902983080000000,  0.043377050000000,  0.155428670000000 ]    mass: 1.007940    reduced_to: 88  - symbol: O  # 137    coordinates: [  0.607607230000000,  0.303497880000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 137  - symbol: O  # 138    coordinates: [  0.892392770000000,  0.696502120000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 138  - symbol: O  # 139    coordinates: [  0.892392770000000,  0.303497880000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 139  - symbol: O  # 140    coordinates: [  0.107607230000000,  0.196502120000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 140  - symbol: O  # 141    coordinates: [  0.303497880000000,  0.720465150000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 141  - symbol: O  # 142    coordinates: [  0.696502120000000,  0.220465150000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 142  - symbol: O  # 143    coordinates: [  0.303497880000000,  0.279534850000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 143  - symbol: O  # 144    coordinates: [  0.196502120000000,  0.279534850000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 144  - symbol: O  # 145    coordinates: [  0.720465150000000,  0.607607230000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 145  - symbol: O  # 146    coordinates: [  0.220465150000000,  0.892392770000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 146  - symbol: O  # 147    coordinates: [  0.279534850000000,  0.892392770000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 147  - symbol: O  # 148    coordinates: [  0.279534850000000,  0.107607230000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 148  - symbol: O  # 149    coordinates: [  0.892392770000000,  0.196502120000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 149  - symbol: O  # 150    coordinates: [  0.607607230000000,  0.803497880000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 150  - symbol: O  # 151    coordinates: [  0.607607230000000,  0.196502120000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 151  - symbol: O  # 152    coordinates: [  0.392392770000000,  0.303497880000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 152  - symbol: O  # 153    coordinates: [  0.196502120000000,  0.779534850000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 153  - symbol: O  # 154    coordinates: [  0.803497880000000,  0.279534850000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 154  - symbol: O  # 155    coordinates: [  0.196502120000000,  0.220465150000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 155  - symbol: O  # 156    coordinates: [  0.303497880000000,  0.220465150000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 156  - symbol: O  # 157    coordinates: [  0.779534850000000,  0.892392770000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 157  - symbol: O  # 158    coordinates: [  0.279534850000000,  0.607607230000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 158  - symbol: O  # 159    coordinates: [  0.220465150000000,  0.607607230000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 159  - symbol: O  # 160    coordinates: [  0.220465150000000,  0.392392770000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 160  - symbol: O  # 161    coordinates: [  0.357607230000000,  0.470465150000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 161  - symbol: O  # 162    coordinates: [  0.142392770000000,  0.470465150000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 162  - symbol: O  # 163    coordinates: [  0.642392770000000,  0.029534850000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 163  - symbol: O  # 164    coordinates: [  0.357607230000000,  0.529534850000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 164  - symbol: O  # 165    coordinates: [  0.053497880000000,  0.357607230000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 165  - symbol: O  # 166    coordinates: [  0.946502120000000,  0.142392770000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 166  - symbol: O  # 167    coordinates: [  0.053497880000000,  0.642392770000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 167  - symbol: O  # 168    coordinates: [  0.446502120000000,  0.357607230000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 168  - symbol: O  # 169    coordinates: [  0.470465150000000,  0.053497880000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 169  - symbol: O  # 170    coordinates: [  0.470465150000000,  0.946502120000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 170  - symbol: O  # 171    coordinates: [  0.029534850000000,  0.053497880000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 171  - symbol: O  # 172    coordinates: [  0.529534850000000,  0.446502120000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 172  - symbol: O  # 173    coordinates: [  0.142392770000000,  0.029534850000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 173  - symbol: O  # 174    coordinates: [  0.357607230000000,  0.029534850000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 174  - symbol: O  # 175    coordinates: [  0.857607230000000,  0.470465150000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 175  - symbol: O  # 176    coordinates: [  0.142392770000000,  0.970465150000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 176  - symbol: O  # 177    coordinates: [  0.446502120000000,  0.142392770000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 177  - symbol: O  # 178    coordinates: [  0.553497880000000,  0.357607230000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 178  - symbol: O  # 179    coordinates: [  0.446502120000000,  0.857607230000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 179  - symbol: O  # 180    coordinates: [  0.053497880000000,  0.142392770000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 180  - symbol: O  # 181    coordinates: [  0.029534850000000,  0.446502120000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 181  - symbol: O  # 182    coordinates: [  0.029534850000000,  0.553497880000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 182  - symbol: O  # 183    coordinates: [  0.470465150000000,  0.446502120000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 183  - symbol: O  # 184    coordinates: [  0.970465150000000,  0.053497880000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 184  - symbol: O  # 185    coordinates: [  0.107607230000000,  0.803497880000000,  0.220465150000000 ]    mass: 15.999400    reduced_to: 137  - symbol: O  # 186    coordinates: [  0.392392770000000,  0.196502120000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 138  - symbol: O  # 187    coordinates: [  0.392392770000000,  0.803497880000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 139  - symbol: O  # 188    coordinates: [  0.607607230000000,  0.696502120000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 140  - symbol: O  # 189    coordinates: [  0.803497880000000,  0.220465150000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 141  - symbol: O  # 190    coordinates: [  0.196502120000000,  0.720465150000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 142  - symbol: O  # 191    coordinates: [  0.803497880000000,  0.779534850000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 143  - symbol: O  # 192    coordinates: [  0.696502120000000,  0.779534850000000,  0.607607230000000 ]    mass: 15.999400    reduced_to: 144  - symbol: O  # 193    coordinates: [  0.220465150000000,  0.107607230000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 145  - symbol: O  # 194    coordinates: [  0.720465150000000,  0.392392770000000,  0.196502120000000 ]    mass: 15.999400    reduced_to: 146  - symbol: O  # 195    coordinates: [  0.779534850000000,  0.392392770000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 147  - symbol: O  # 196    coordinates: [  0.779534850000000,  0.607607230000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 148  - symbol: O  # 197    coordinates: [  0.392392770000000,  0.696502120000000,  0.279534850000000 ]    mass: 15.999400    reduced_to: 149  - symbol: O  # 198    coordinates: [  0.107607230000000,  0.303497880000000,  0.779534850000000 ]    mass: 15.999400    reduced_to: 150  - symbol: O  # 199    coordinates: [  0.107607230000000,  0.696502120000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 151  - symbol: O  # 200    coordinates: [  0.892392770000000,  0.803497880000000,  0.720465150000000 ]    mass: 15.999400    reduced_to: 152  - symbol: O  # 201    coordinates: [  0.696502120000000,  0.279534850000000,  0.392392770000000 ]    mass: 15.999400    reduced_to: 153  - symbol: O  # 202    coordinates: [  0.303497880000000,  0.779534850000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 154  - symbol: O  # 203    coordinates: [  0.696502120000000,  0.720465150000000,  0.107607230000000 ]    mass: 15.999400    reduced_to: 155  - symbol: O  # 204    coordinates: [  0.803497880000000,  0.720465150000000,  0.892392770000000 ]    mass: 15.999400    reduced_to: 156  - symbol: O  # 205    coordinates: [  0.279534850000000,  0.392392770000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 157  - symbol: O  # 206    coordinates: [  0.779534850000000,  0.107607230000000,  0.303497880000000 ]    mass: 15.999400    reduced_to: 158  - symbol: O  # 207    coordinates: [  0.720465150000000,  0.107607230000000,  0.696502120000000 ]    mass: 15.999400    reduced_to: 159  - symbol: O  # 208    coordinates: [  0.720465150000000,  0.892392770000000,  0.803497880000000 ]    mass: 15.999400    reduced_to: 160  - symbol: O  # 209    coordinates: [  0.857607230000000,  0.970465150000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 161  - symbol: O  # 210    coordinates: [  0.642392770000000,  0.970465150000000,  0.446502120000000 ]    mass: 15.999400    reduced_to: 162  - symbol: O  # 211    coordinates: [  0.142392770000000,  0.529534850000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 163  - symbol: O  # 212    coordinates: [  0.857607230000000,  0.029534850000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 164  - symbol: O  # 213    coordinates: [  0.553497880000000,  0.857607230000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 165  - symbol: O  # 214    coordinates: [  0.446502120000000,  0.642392770000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 166  - symbol: O  # 215    coordinates: [  0.553497880000000,  0.142392770000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 167  - symbol: O  # 216    coordinates: [  0.946502120000000,  0.857607230000000,  0.029534850000000 ]    mass: 15.999400    reduced_to: 168  - symbol: O  # 217    coordinates: [  0.970465150000000,  0.553497880000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 169  - symbol: O  # 218    coordinates: [  0.970465150000000,  0.446502120000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 170  - symbol: O  # 219    coordinates: [  0.529534850000000,  0.553497880000000,  0.142392770000000 ]    mass: 15.999400    reduced_to: 171  - symbol: O  # 220    coordinates: [  0.029534850000000,  0.946502120000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 172  - symbol: O  # 221    coordinates: [  0.642392770000000,  0.529534850000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 173  - symbol: O  # 222    coordinates: [  0.857607230000000,  0.529534850000000,  0.053497880000000 ]    mass: 15.999400    reduced_to: 174  - symbol: O  # 223    coordinates: [  0.357607230000000,  0.970465150000000,  0.946502120000000 ]    mass: 15.999400    reduced_to: 175  - symbol: O  # 224    coordinates: [  0.642392770000000,  0.470465150000000,  0.553497880000000 ]    mass: 15.999400    reduced_to: 176  - symbol: O  # 225    coordinates: [  0.946502120000000,  0.642392770000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 177  - symbol: O  # 226    coordinates: [  0.053497880000000,  0.857607230000000,  0.529534850000000 ]    mass: 15.999400    reduced_to: 178  - symbol: O  # 227    coordinates: [  0.946502120000000,  0.357607230000000,  0.970465150000000 ]    mass: 15.999400    reduced_to: 179  - symbol: O  # 228    coordinates: [  0.553497880000000,  0.642392770000000,  0.470465150000000 ]    mass: 15.999400    reduced_to: 180  - symbol: O  # 229    coordinates: [  0.529534850000000,  0.946502120000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 181  - symbol: O  # 230    coordinates: [  0.529534850000000,  0.053497880000000,  0.857607230000000 ]    mass: 15.999400    reduced_to: 182  - symbol: O  # 231    coordinates: [  0.970465150000000,  0.946502120000000,  0.357607230000000 ]    mass: 15.999400    reduced_to: 183  - symbol: O  # 232    coordinates: [  0.470465150000000,  0.553497880000000,  0.642392770000000 ]    mass: 15.999400    reduced_to: 184displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0658302100000000, -0.0021134200000000,  0.0001586500000000 ]  - [   0.0019734200000000, -0.0000450200000000,  0.0000027200000000 ]  - [   0.0001110600000000,  0.0002746600000000,  0.0002642900000000 ]  - [   0.0055424400000000,  0.0055865400000000, -0.0047697200000000 ]  - [   0.0006817500000000,  0.0002676600000000,  0.0002822100000000 ]  - [   0.0006838000000000,  0.0002656100000000, -0.0002834200000000 ]  - [   0.0026650700000000,  0.0001558000000000, -0.0000021500000000 ]  - [  -0.0011670900000000,  0.0000008300000000, -0.0000014500000000 ]  - [   0.0002179000000000, -0.0008422900000000, -0.0003296600000000 ]  - [   0.0002153700000000, -0.0005962800000000,  0.0014430600000000 ]  - [  -0.0007387500000000, -0.0003312800000000,  0.0003423500000000 ]  - [  -0.0007320400000000, -0.0003309700000000, -0.0003469300000000 ]  - [   0.0004238700000000,  0.0000135800000000, -0.0000013400000000 ]  - [  -0.0007591400000000,  0.0000461300000000,  0.0000013300000000 ]  - [   0.0055635500000000,  0.0056392000000000,  0.0048142900000000 ]  - [   0.0001051900000000,  0.0002747600000000, -0.0002678800000000 ]  - [  -0.0017272600000000,  0.0047960600000000,  0.0011417300000000 ]  - [  -0.0017563800000000,  0.0047905000000000, -0.0011340100000000 ]  - [  -0.0006995000000000,  0.0001540200000000, -0.0000008300000000 ]  - [   0.0008185100000000,  0.0000005300000000,  0.0000019500000000 ]  - [   0.0002110400000000, -0.0005956500000000, -0.0014486900000000 ]  - [   0.0002114900000000, -0.0008448500000000,  0.0003310500000000 ]  - [   0.0019471700000000, -0.0014422500000000,  0.0003452500000000 ]  - [   0.0019501600000000, -0.0014498600000000, -0.0003433600000000 ]  - [   0.0000169700000000,  0.0000260100000000, -0.0001623800000000 ]  - [   0.0117328000000000,  0.0008503600000000,  0.0096509200000000 ]  - [   0.0000558400000000, -0.0001275500000000,  0.0011869400000000 ]  - [   0.0000680500000000, -0.0001270600000000, -0.0011829200000000 ]  - [   0.0010060800000000,  0.0000370300000000, -0.0000171700000000 ]  - [   0.0022979800000000,  0.0001416800000000, -0.0002200700000000 ]  - [  -0.0051713600000000,  0.0010558000000000,  0.0019214100000000 ]  - [   0.0022975700000000,  0.0001352800000000,  0.0002228100000000 ]  - [   0.0118199700000000,  0.0008643100000000, -0.0097518300000000 ]  - [   0.0000133900000000,  0.0000250400000000,  0.0001616000000000 ]  - [   0.0001326700000000, -0.0000650900000000,  0.0002139400000000 ]  - [   0.0001280400000000, -0.0000652000000000, -0.0002125700000000 ]  - [  -0.0051610200000000,  0.0009981600000000, -0.0019464400000000 ]  - [  -0.0014611600000000,  0.0000163300000000,  0.0001133600000000 ]  - [   0.0010047900000000,  0.0000399900000000,  0.0000139700000000 ]  - [  -0.0014598100000000,  0.0000160300000000, -0.0001123000000000 ]  - [   0.0002304600000000,  0.0002080100000000,  0.0002224100000000 ]  - [  -0.0000568900000000, -0.0001290600000000,  0.0002358400000000 ]  - [  -0.0000745200000000,  0.0001429400000000, -0.0002457000000000 ]  - [   0.0002130100000000, -0.0001948500000000, -0.0002158300000000 ]  - [   0.0004988800000000, -0.0000923900000000,  0.0005880100000000 ]  - [   0.0025829100000000, -0.0007852300000000,  0.0007427100000000 ]  - [   0.0028616600000000, -0.0012224000000000, -0.0010171000000000 ]  - [   0.0001611700000000, -0.0005480700000000, -0.0002988600000000 ]  - [   0.0004044700000000,  0.0000194600000000,  0.0001089700000000 ]  - [   0.0003612500000000, -0.0000670800000000, -0.0001030400000000 ]  - [  -0.0002747100000000, -0.0001086600000000,  0.0001198100000000 ]  - [  -0.0002751600000000,  0.0002509900000000, -0.0003741500000000 ]  - [  -0.0001915700000000, -0.0001753100000000, -0.0002306500000000 ]  - [   0.0000949400000000,  0.0001613900000000, -0.0002259500000000 ]  - [  -0.0004256300000000, -0.0004580900000000,  0.0005566200000000 ]  - [  -0.0007061700000000, -0.0001217600000000, -0.0000973300000000 ]  - [  -0.0001820000000000, -0.0001868400000000, -0.0001976700000000 ]  - [   0.0003741000000000, -0.0000447900000000, -0.0001077900000000 ]  - [   0.0000381400000000,  0.0004143500000000,  0.0003946400000000 ]  - [   0.0001573300000000,  0.0002793500000000, -0.0000904500000000 ]  - [  -0.0006250000000000, -0.0013831000000000,  0.0008868400000000 ]  - [  -0.0003267000000000, -0.0001163600000000,  0.0002181800000000 ]  - [   0.0002783800000000,  0.0001310900000000, -0.0001668600000000 ]  - [   0.0003204200000000, -0.0001877100000000,  0.0001114000000000 ]  - [   0.0002813000000000, -0.0003191600000000, -0.0013586200000000 ]  - [   0.0008155000000000, -0.0001389900000000, -0.0006741200000000 ]  - [  -0.0000108800000000, -0.0007805900000000,  0.0017058700000000 ]  - [   0.0011048600000000, -0.0006009800000000,  0.0003376900000000 ]  - [   0.0003035500000000,  0.0001327600000000,  0.0002247900000000 ]  - [  -0.0000341500000000, -0.0001543300000000,  0.0002355300000000 ]  - [   0.0002626300000000, -0.0001073100000000, -0.0002206000000000 ]  - [  -0.0000755200000000,  0.0001801300000000, -0.0002414400000000 ]  - [   0.0001993500000000,  0.0002354400000000,  0.0001284500000000 ]  - [   0.0002838800000000,  0.0000241100000000, -0.0003228900000000 ]  - [  -0.0000941700000000,  0.0004019700000000,  0.0000713700000000 ]  - [  -0.0001187300000000,  0.0001294100000000,  0.0001323100000000 ]  - [  -0.0000374800000000, -0.0001762900000000, -0.0000349500000000 ]  - [   0.0001892000000000, -0.0000912000000000,  0.0007265800000000 ]  - [   0.0002499600000000,  0.0002856000000000, -0.0003030700000000 ]  - [  -0.0000995600000000,  0.0003713900000000, -0.0003869600000000 ]  - [  -0.0001375800000000, -0.0003261700000000,  0.0000110400000000 ]  - [   0.0001955000000000, -0.0000386800000000, -0.0004671900000000 ]  - [  -0.0002374800000000,  0.0001375200000000,  0.0002254500000000 ]  - [   0.0001007400000000, -0.0001501800000000,  0.0002366900000000 ]  - [  -0.0001787400000000, -0.0002876000000000, -0.0002720000000000 ]  - [  -0.0002073000000000,  0.0001300200000000,  0.0001517200000000 ]  - [   0.0007494900000000, -0.0036342500000000,  0.0006999200000000 ]  - [   0.0001773600000000, -0.0001546900000000,  0.0000500300000000 ]  - [   0.0001778000000000,  0.0004639600000000,  0.0004980300000000 ]  - [  -0.0001278400000000,  0.0001215700000000, -0.0000551100000000 ]  - [  -0.0003011000000000,  0.0001762300000000, -0.0002374500000000 ]  - [  -0.0000137600000000, -0.0001627100000000, -0.0002273300000000 ]  - [   0.0001502400000000,  0.0001919200000000,  0.0001985300000000 ]  - [  -0.0001573800000000,  0.0002148500000000, -0.0001282500000000 ]  - [   0.0001794300000000, -0.0002440100000000, -0.0001590900000000 ]  - [  -0.0001876700000000, -0.0002679500000000,  0.0000885900000000 ]  - [   0.0001787600000000,  0.0001772300000000,  0.0002161400000000 ]  - [   0.0001843500000000, -0.0000372000000000,  0.0000324600000000 ]  - [  -0.0000514100000000, -0.0002689400000000,  0.0002294200000000 ]  - [  -0.0001013400000000,  0.0002214800000000, -0.0002355500000000 ]  - [   0.0008830600000000, -0.0001810000000000, -0.0001402900000000 ]  - [   0.0011701700000000,  0.0001570600000000, -0.0003190200000000 ]  - [   0.0002149400000000, -0.0001791600000000,  0.0002515900000000 ]  - [  -0.0000723500000000,  0.0001586900000000,  0.0002091400000000 ]  - [  -0.0000969700000000, -0.0001625400000000, -0.0001502100000000 ]  - [   0.0001779300000000, -0.0001689600000000,  0.0000770400000000 ]  - [  -0.0001600300000000,  0.0002850600000000,  0.0002096200000000 ]  - [   0.0002398600000000,  0.0003017400000000, -0.0001369600000000 ]  - [  -0.0001812500000000, -0.0001562800000000, -0.0001705800000000 ]  - [  -0.0001425200000000,  0.0000996600000000,  0.0002270300000000 ]  - [  -0.0001731000000000, -0.0011010300000000, -0.0012273700000000 ]  - [   0.0001326800000000, -0.0004020400000000,  0.0001220000000000 ]  - [   0.0001478400000000,  0.0002335400000000,  0.0001516100000000 ]  - [  -0.0001648400000000,  0.0002324400000000, -0.0001963600000000 ]  - [  -0.0001396000000000, -0.0002282800000000,  0.0001863700000000 ]  - [   0.0001232200000000, -0.0002324400000000, -0.0001423900000000 ]  - [  -0.0000275900000000,  0.0000311400000000,  0.0002614200000000 ]  - [  -0.0003648400000000, -0.0002578800000000,  0.0001981400000000 ]  - [  -0.0011264500000000, -0.0004600000000000, -0.0004166600000000 ]  - [  -0.0014625700000000, -0.0001733700000000, -0.0000434200000000 ]  - [   0.0003445800000000,  0.0004690200000000,  0.0001556300000000 ]  - [   0.0003671100000000,  0.0000649600000000, -0.0003593400000000 ]  - [  -0.0001760000000000,  0.0003600500000000,  0.0000347400000000 ]  - [  -0.0002593700000000, -0.0001014800000000,  0.0001578600000000 ]  - [  -0.0001055800000000, -0.0002903800000000, -0.0002096000000000 ]  - [   0.0001000500000000, -0.0002547300000000,  0.0001781700000000 ]  - [   0.0001799800000000,  0.0001686500000000, -0.0001285100000000 ]  - [  -0.0001851300000000,  0.0002042700000000,  0.0001596300000000 ]  - [  -0.0000272200000000, -0.0001503500000000, -0.0002452300000000 ]  - [   0.0003110700000000,  0.0001371900000000, -0.0002181600000000 ]  - [   0.0005400400000000,  0.0002051700000000,  0.0002351800000000 ]  - [   0.0008774700000000, -0.0000824400000000,  0.0002257300000000 ]  - [  -0.0002899300000000, -0.0004935900000000, -0.0003364500000000 ]  - [   0.0002902900000000, -0.0033077100000000, -0.0004165300000000 ]  - [   0.0002577300000000, -0.0002088900000000,  0.0001361100000000 ]  - [   0.0002807300000000,  0.0000495500000000, -0.0000147300000000 ]  - [   0.0060956600000000,  0.0004341700000000, -0.0052179600000000 ]  - [  -0.0002121600000000, -0.0000231200000000, -0.0003126400000000 ]  - [  -0.0005616200000000, -0.0001333300000000,  0.0000751500000000 ]  - [  -0.0006194800000000, -0.0000303200000000,  0.0004171700000000 ]  - [   0.0001273700000000, -0.0002554700000000, -0.0002302700000000 ]  - [   0.0070076700000000, -0.0040753700000000,  0.0020404600000000 ]  - [   0.0061673700000000, -0.0034180900000000, -0.0019069500000000 ]  - [  -0.0010698100000000,  0.0004143200000000,  0.0017368700000000 ]  - [  -0.0002434400000000, -0.0001625100000000, -0.0000963600000000 ]  - [  -0.0004630300000000, -0.0004553600000000, -0.0001904600000000 ]  - [   0.0002493600000000, -0.0001068000000000, -0.0000078600000000 ]  - [   0.0001429300000000, -0.0002318300000000,  0.0010750000000000 ]  - [  -0.0034194200000000,  0.0005790000000000,  0.0011159500000000 ]  - [   0.0002132300000000, -0.0000262400000000,  0.0002364200000000 ]  - [   0.0008303800000000,  0.0003667700000000, -0.0005488800000000 ]  - [   0.0008778000000000,  0.0002656000000000,  0.0000550200000000 ]  - [  -0.0002293900000000,  0.0002682100000000,  0.0000612300000000 ]  - [  -0.0015618600000000,  0.0001726000000000,  0.0014693100000000 ]  - [  -0.0014626800000000, -0.0003211400000000, -0.0015201300000000 ]  - [   0.0001784100000000, -0.0002489700000000, -0.0001305900000000 ]  - [   0.0001825700000000,  0.0001571500000000, -0.0001105600000000 ]  - [   0.0001403200000000,  0.0007150100000000, -0.0001158900000000 ]  - [  -0.0003161900000000,  0.0001029800000000,  0.0002128300000000 ]  - [  -0.0003206200000000,  0.0002868700000000,  0.0000193100000000 ]  - [   0.0012688300000000,  0.0007157900000000,  0.0012351400000000 ]  - [  -0.0016703500000000,  0.0006507700000000,  0.0007008500000000 ]  - [   0.0013450500000000,  0.0012135000000000, -0.0013390000000000 ]  - [   0.0003117000000000,  0.0004269200000000,  0.0000084900000000 ]  - [  -0.0006257900000000,  0.0000492500000000, -0.0002276900000000 ]  - [  -0.0005231000000000,  0.0001072100000000, -0.0002643200000000 ]  - [  -0.0005584700000000,  0.0001152800000000,  0.0003199000000000 ]  - [   0.0015217300000000,  0.0003923500000000, -0.0000733500000000 ]  - [   0.0002223200000000, -0.0000832000000000, -0.0000030600000000 ]  - [   0.0004095000000000, -0.0005635800000000,  0.0004681600000000 ]  - [  -0.0005790600000000, -0.0002622600000000, -0.0000579300000000 ]  - [   0.0007148300000000,  0.0000187700000000, -0.0000556800000000 ]  - [  -0.0003654400000000,  0.0001036400000000,  0.0000035900000000 ]  - [   0.0004546100000000, -0.0003901200000000, -0.0010121200000000 ]  - [  -0.0004204000000000, -0.0003910700000000,  0.0001000100000000 ]  - [  -0.0008784700000000, -0.0009907900000000,  0.0001882700000000 ]  - [   0.0046459000000000, -0.0003627400000000, -0.0021944400000000 ]  - [   0.0045597800000000, -0.0003851500000000,  0.0027231100000000 ]  - [   0.0003568600000000, -0.0001151000000000, -0.0002575400000000 ]  - [  -0.0019804400000000, -0.0003372600000000, -0.0000567200000000 ]  - [  -0.0003689100000000,  0.0001543000000000,  0.0001342900000000 ]  - [  -0.0000641700000000, -0.0000353900000000, -0.0001025100000000 ]  - [   0.0045997700000000,  0.0014409800000000,  0.0004606100000000 ]  - [  -0.0008639400000000,  0.0000526600000000, -0.0000788400000000 ]  - [  -0.0002677600000000, -0.0001260100000000, -0.0001857000000000 ]  - [   0.0060544600000000,  0.0004668500000000,  0.0045073900000000 ]  - [   0.0005015300000000, -0.0004747300000000,  0.0002143900000000 ]  - [   0.0004475900000000, -0.0003703300000000,  0.0002846700000000 ]  - [  -0.0011734400000000, -0.0000780800000000, -0.0018072000000000 ]  - [  -0.0000591500000000, -0.0002696800000000, -0.0000012600000000 ]  - [  -0.0001627200000000,  0.0002239900000000,  0.0000549400000000 ]  - [   0.0002320200000000,  0.0002382300000000,  0.0001724400000000 ]  - [  -0.0020886600000000, -0.0022852700000000, -0.0005434200000000 ]  - [  -0.0003473900000000, -0.0001747500000000, -0.0009744400000000 ]  - [  -0.0016032100000000, -0.0022431900000000,  0.0004462800000000 ]  - [   0.0000368300000000, -0.0005137700000000,  0.0002938900000000 ]  - [   0.0002673900000000,  0.0000780900000000,  0.0002579900000000 ]  - [  -0.0034685500000000,  0.0004720900000000, -0.0006187900000000 ]  - [  -0.0004285600000000,  0.0002338100000000, -0.0002925600000000 ]  - [  -0.0003689000000000,  0.0001336000000000, -0.0002007900000000 ]  - [   0.0002843500000000,  0.0002502600000000,  0.0001861200000000 ]  - [   0.0000616600000000,  0.0002181800000000,  0.0001681500000000 ]  - [   0.0001664200000000, -0.0002727200000000, -0.0002248200000000 ]  - [  -0.0003291600000000, -0.0002300000000000, -0.0000025900000000 ]  - [  -0.0008548100000000,  0.0026448800000000, -0.0026882800000000 ]  - [   0.0001783300000000,  0.0002308100000000, -0.0001232200000000 ]  - [  -0.0013513700000000,  0.0026036400000000,  0.0028116800000000 ]  - [  -0.0003509700000000,  0.0007748200000000,  0.0000137300000000 ]  - [  -0.0005463900000000, -0.0000684100000000,  0.0002711100000000 ]  - [   0.0003700500000000, -0.0000709900000000,  0.0000922700000000 ]  - [  -0.0004902700000000,  0.0004237900000000, -0.0003714700000000 ]  - [  -0.0017289100000000,  0.0011519900000000, -0.0005998600000000 ]  - [   0.0005567600000000,  0.0003974200000000, -0.0004487000000000 ]  - [   0.0006556100000000,  0.0004604900000000, -0.0000446100000000 ]  - [   0.0014215500000000,  0.0004495000000000,  0.0005685800000000 ]  - [  -0.0004543700000000,  0.0000591000000000,  0.0001778700000000 ]  - [  -0.0011118400000000, -0.0001961600000000,  0.0000386000000000 ]  - [  -0.0010772200000000, -0.0001628000000000,  0.0001196900000000 ]  - [   0.0009036300000000, -0.0006571900000000, -0.0004044000000000 ]  - [  -0.0006137600000000, -0.0000910300000000, -0.0000943200000000 ]  - [   0.0010882000000000, -0.0009324300000000,  0.0000580300000000 ]  - [  -0.0009371500000000, -0.0004996600000000, -0.0002920000000000 ]  - [   0.0010186900000000, -0.0014304000000000,  0.0000452700000000 ]  - [   0.0005137600000000, -0.0008875200000000,  0.0009085100000000 ]  - [  -0.0002945600000000,  0.0000341800000000,  0.0002926900000000 ]  - [  -0.0003987000000000, -0.0000207200000000,  0.0002059300000000 ]  - [  -0.0018803500000000, -0.0003961300000000, -0.0004407100000000 ]  - [   0.0002548800000000, -0.0000588200000000, -0.0002405800000000 ]  - [   0.0011749300000000,  0.0001749400000000,  0.0001529500000000 ]  - [   0.0050777500000000,  0.0013502200000000, -0.0005079400000000 ]  - [  -0.0005658500000000,  0.0000677200000000,  0.0000466700000000 ]  - [   0.0006757000000000,  0.0000723000000000, -0.0001015300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0622202200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000578100000000 ]  - [   0.0002764900000000,  0.0004555300000000,  0.0006814600000000 ]  - [  -0.0056153400000000, -0.0015936400000000, -0.0017550400000000 ]  - [   0.0004566300000000,  0.0002769500000000,  0.0006788600000000 ]  - [  -0.0004566300000000, -0.0002769500000000,  0.0006788600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001486400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037476400000000 ]  - [  -0.0005941900000000,  0.0006105400000000, -0.0007355400000000 ]  - [   0.0008394000000000, -0.0006100500000000,  0.0019514900000000 ]  - [   0.0006100400000000, -0.0008481300000000,  0.0019468400000000 ]  - [  -0.0006100400000000,  0.0008481300000000,  0.0019468400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005086200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000612400000000 ]  - [   0.0056153400000000,  0.0015936400000000, -0.0017550400000000 ]  - [  -0.0002764900000000, -0.0004555300000000,  0.0006814600000000 ]  - [   0.0015972000000000,  0.0056116600000000, -0.0017265600000000 ]  - [  -0.0015972000000000, -0.0056116600000000, -0.0017265600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001427500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005462800000000 ]  - [  -0.0008394000000000,  0.0006100500000000,  0.0019514900000000 ]  - [   0.0005941900000000, -0.0006105400000000, -0.0007355400000000 ]  - [   0.0006117100000000, -0.0005966700000000, -0.0007322800000000 ]  - [  -0.0006117100000000,  0.0005966700000000, -0.0007322800000000 ]  - [  -0.0003017900000000,  0.0000215500000000,  0.0006440000000000 ]  - [   0.0100620000000000, -0.0020631800000000, -0.0037118900000000 ]  - [   0.0016181200000000, -0.0000267600000000,  0.0021183800000000 ]  - [  -0.0016181200000000,  0.0000267600000000,  0.0021183800000000 ]  - [  -0.0000211300000000,  0.0003009400000000,  0.0006466400000000 ]  - [   0.0001523800000000,  0.0002014900000000, -0.0006326200000000 ]  - [   0.0020748200000000, -0.0100929400000000, -0.0037677900000000 ]  - [  -0.0001523800000000, -0.0002014900000000, -0.0006326200000000 ]  - [  -0.0100620000000000,  0.0020631800000000, -0.0037118900000000 ]  - [   0.0003017900000000, -0.0000215500000000,  0.0006440000000000 ]  - [   0.0002023500000000,  0.0001503300000000, -0.0006291000000000 ]  - [  -0.0002023500000000, -0.0001503300000000, -0.0006291000000000 ]  - [  -0.0020748200000000,  0.0100929400000000, -0.0037677900000000 ]  - [  -0.0000296500000000,  0.0016051900000000,  0.0021182200000000 ]  - [   0.0000211300000000, -0.0003009400000000,  0.0006466400000000 ]  - [   0.0000296500000000, -0.0016051900000000,  0.0021182200000000 ]  - [   0.0001087700000000,  0.0001569800000000,  0.0002189500000000 ]  - [  -0.0001087700000000, -0.0001569800000000,  0.0002189500000000 ]  - [  -0.0001792800000000,  0.0001787600000000, -0.0001384100000000 ]  - [   0.0001792800000000, -0.0001787600000000, -0.0001384100000000 ]  - [   0.0004855100000000,  0.0001622000000000,  0.0001140300000000 ]  - [   0.0006286300000000,  0.0000259500000000, -0.0007573600000000 ]  - [  -0.0006286300000000, -0.0000259500000000, -0.0007573600000000 ]  - [  -0.0004855100000000, -0.0001622000000000,  0.0001140300000000 ]  - [   0.0001799200000000,  0.0000215200000000,  0.0002290300000000 ]  - [   0.0002303100000000, -0.0001274600000000, -0.0002325400000000 ]  - [  -0.0002438300000000, -0.0001773600000000,  0.0004483800000000 ]  - [  -0.0003905700000000, -0.0001871800000000,  0.0007191400000000 ]  - [  -0.0001216300000000, -0.0002037100000000, -0.0001464300000000 ]  - [   0.0001216300000000,  0.0002037100000000, -0.0001464300000000 ]  - [   0.0010970500000000, -0.0005416100000000,  0.0011585700000000 ]  - [  -0.0010970500000000,  0.0005416100000000,  0.0011585700000000 ]  - [  -0.0002044000000000, -0.0002279200000000,  0.0001214700000000 ]  - [  -0.0001931200000000, -0.0004730800000000,  0.0004149700000000 ]  - [   0.0001931200000000,  0.0004730800000000,  0.0004149700000000 ]  - [   0.0002044000000000,  0.0002279200000000,  0.0001214700000000 ]  - [   0.0001261000000000, -0.0017067000000000,  0.0000312800000000 ]  - [  -0.0002760700000000,  0.0000544000000000, -0.0000565400000000 ]  - [   0.0002262100000000,  0.0001521000000000, -0.0001175600000000 ]  - [   0.0002198700000000, -0.0001512400000000,  0.0002431100000000 ]  - [  -0.0014297200000000,  0.0005882100000000,  0.0003623900000000 ]  - [  -0.0002297500000000,  0.0001839200000000, -0.0003974000000000 ]  - [   0.0014297200000000, -0.0005882100000000,  0.0003623900000000 ]  - [   0.0002297500000000, -0.0001839200000000, -0.0003974000000000 ]  - [   0.0001338300000000,  0.0001654100000000,  0.0003140200000000 ]  - [  -0.0001338300000000, -0.0001654100000000,  0.0003140200000000 ]  - [   0.0001729400000000, -0.0001202800000000, -0.0002084600000000 ]  - [  -0.0001729400000000,  0.0001202800000000, -0.0002084600000000 ]  - [   0.0002325600000000,  0.0001330200000000,  0.0004086500000000 ]  - [  -0.0000135300000000, -0.0005308300000000,  0.0001269800000000 ]  - [  -0.0001616700000000,  0.0003225800000000, -0.0001498500000000 ]  - [  -0.0001819600000000, -0.0000530800000000,  0.0000135700000000 ]  - [  -0.0001102800000000, -0.0002167100000000,  0.0001109400000000 ]  - [   0.0004722600000000, -0.0000695500000000,  0.0010573600000000 ]  - [   0.0001102800000000,  0.0002167100000000,  0.0001109400000000 ]  - [  -0.0004722600000000,  0.0000695500000000,  0.0010573600000000 ]  - [  -0.0018056500000000, -0.0018815500000000,  0.0016637900000000 ]  - [   0.0018056500000000,  0.0018815500000000,  0.0016637900000000 ]  - [  -0.0001590400000000,  0.0001074300000000,  0.0003208700000000 ]  - [   0.0001590400000000, -0.0001074300000000,  0.0003208700000000 ]  - [  -0.0002818700000000, -0.0000905600000000, -0.0000950400000000 ]  - [  -0.0002617400000000,  0.0001908400000000,  0.0002359100000000 ]  - [   0.0004331600000000, -0.0009787800000000, -0.0004587200000000 ]  - [   0.0002983200000000, -0.0001467400000000, -0.0001709200000000 ]  - [  -0.0015409900000000, -0.0014376200000000,  0.0020652200000000 ]  - [   0.0015409900000000,  0.0014376200000000,  0.0020652200000000 ]  - [  -0.0001521400000000,  0.0000716800000000, -0.0003666000000000 ]  - [   0.0001521400000000, -0.0000716800000000, -0.0003666000000000 ]  - [   0.0002465800000000,  0.0001776600000000,  0.0001925800000000 ]  - [  -0.0001474500000000,  0.0002001500000000, -0.0000512500000000 ]  - [   0.0001474500000000, -0.0002001500000000, -0.0000512500000000 ]  - [  -0.0002465800000000, -0.0001776600000000,  0.0001925800000000 ]  - [   0.0002438300000000,  0.0001773600000000,  0.0004483800000000 ]  - [   0.0003905700000000,  0.0001871800000000,  0.0007191400000000 ]  - [  -0.0001799200000000, -0.0000215200000000,  0.0002290300000000 ]  - [  -0.0002303100000000,  0.0001274600000000, -0.0002325400000000 ]  - [  -0.0000552900000000, -0.0001429000000000, -0.0003413900000000 ]  - [   0.0000552900000000,  0.0001429000000000, -0.0003413900000000 ]  - [   0.0001667700000000, -0.0001646900000000,  0.0002519300000000 ]  - [  -0.0001667700000000,  0.0001646900000000,  0.0002519300000000 ]  - [  -0.0002848400000000, -0.0002798200000000, -0.0002736100000000 ]  - [   0.0000149400000000, -0.0002979400000000,  0.0001366700000000 ]  - [  -0.0000149400000000,  0.0002979400000000,  0.0001366700000000 ]  - [   0.0002848400000000,  0.0002798200000000, -0.0002736100000000 ]  - [  -0.0002262100000000, -0.0001521000000000, -0.0001175600000000 ]  - [  -0.0002198700000000,  0.0001512400000000,  0.0002431100000000 ]  - [  -0.0001261000000000,  0.0017067000000000,  0.0000312800000000 ]  - [   0.0002760700000000, -0.0000544000000000, -0.0000565400000000 ]  - [   0.0001351700000000,  0.0002344100000000,  0.0002208000000000 ]  - [  -0.0001362800000000,  0.0002425400000000, -0.0000945700000000 ]  - [  -0.0001351700000000, -0.0002344100000000,  0.0002208000000000 ]  - [   0.0001362800000000, -0.0002425400000000, -0.0000945700000000 ]  - [   0.0001948700000000,  0.0002354500000000,  0.0001198800000000 ]  - [  -0.0001948700000000, -0.0002354500000000,  0.0001198800000000 ]  - [  -0.0002005300000000,  0.0008022800000000,  0.0006912800000000 ]  - [   0.0002005300000000, -0.0008022800000000,  0.0006912800000000 ]  - [   0.0001819600000000,  0.0000530800000000,  0.0000135700000000 ]  - [   0.0001616700000000, -0.0003225800000000, -0.0001498500000000 ]  - [   0.0000135300000000,  0.0005308300000000,  0.0001269800000000 ]  - [  -0.0002325600000000, -0.0001330200000000,  0.0004086500000000 ]  - [  -0.0002662700000000, -0.0002804300000000, -0.0001069600000000 ]  - [   0.0001595400000000, -0.0002300000000000,  0.0001050000000000 ]  - [   0.0002662700000000,  0.0002804300000000, -0.0001069600000000 ]  - [  -0.0001595400000000,  0.0002300000000000,  0.0001050000000000 ]  - [  -0.0001810300000000, -0.0001786100000000, -0.0002422700000000 ]  - [   0.0001810300000000,  0.0001786100000000, -0.0002422700000000 ]  - [  -0.0002666400000000,  0.0001346800000000,  0.0000948500000000 ]  - [   0.0002666400000000, -0.0001346800000000,  0.0000948500000000 ]  - [  -0.0002983200000000,  0.0001467400000000, -0.0001709200000000 ]  - [  -0.0004331600000000,  0.0009787800000000, -0.0004587200000000 ]  - [   0.0002617400000000, -0.0001908400000000,  0.0002359100000000 ]  - [   0.0002818700000000,  0.0000905600000000, -0.0000950400000000 ]  - [   0.0015654600000000, -0.0005759000000000,  0.0105540500000000 ]  - [  -0.0000939500000000,  0.0000103600000000, -0.0004316500000000 ]  - [  -0.0001857200000000, -0.0001006500000000, -0.0002120900000000 ]  - [   0.0001857200000000,  0.0001006500000000, -0.0002120900000000 ]  - [  -0.0001976200000000, -0.0002120900000000, -0.0000605100000000 ]  - [   0.0002571500000000, -0.0007941300000000,  0.0061244600000000 ]  - [  -0.0002571500000000,  0.0007941300000000,  0.0061244600000000 ]  - [   0.0010175400000000,  0.0000675700000000, -0.0002181900000000 ]  - [  -0.0003515500000000, -0.0001218200000000, -0.0006146400000000 ]  - [  -0.0005900600000000, -0.0004110500000000,  0.0001179400000000 ]  - [   0.0003515500000000,  0.0001218200000000, -0.0006146400000000 ]  - [   0.0012821800000000,  0.0002675700000000, -0.0012131400000000 ]  - [   0.0001645200000000, -0.0001064100000000,  0.0009095600000000 ]  - [  -0.0001594000000000,  0.0000801700000000, -0.0001653800000000 ]  - [  -0.0013300100000000,  0.0002653800000000, -0.0021678100000000 ]  - [   0.0013300100000000, -0.0002653800000000, -0.0021678100000000 ]  - [   0.0000998800000000,  0.0002373100000000,  0.0005942400000000 ]  - [   0.0018390200000000,  0.0001908700000000, -0.0014195000000000 ]  - [  -0.0018390200000000, -0.0001908700000000, -0.0014195000000000 ]  - [  -0.0001128600000000, -0.0001977900000000, -0.0014737200000000 ]  - [   0.0000473100000000,  0.0002308400000000, -0.0001476600000000 ]  - [   0.0002259700000000,  0.0002140700000000,  0.0005336100000000 ]  - [  -0.0000473100000000, -0.0002308400000000, -0.0001476600000000 ]  - [   0.0001117900000000, -0.0001553700000000, -0.0009276000000000 ]  - [   0.0019944200000000, -0.0018559700000000,  0.0000112600000000 ]  - [   0.0002679700000000, -0.0002697500000000,  0.0006404700000000 ]  - [  -0.0019944200000000,  0.0018559700000000,  0.0000112600000000 ]  - [  -0.0002115800000000,  0.0006091200000000, -0.0008245000000000 ]  - [  -0.0001829300000000,  0.0001022400000000, -0.0006612000000000 ]  - [   0.0001829300000000, -0.0001022400000000, -0.0006612000000000 ]  - [   0.0000220700000000, -0.0000452600000000,  0.0004159200000000 ]  - [  -0.0001602600000000,  0.0012623000000000, -0.0016677500000000 ]  - [  -0.0002981300000000,  0.0000124900000000, -0.0015317900000000 ]  - [  -0.0003024500000000,  0.0019460700000000, -0.0013633200000000 ]  - [   0.0001296100000000, -0.0003480700000000, -0.0000731400000000 ]  - [   0.0002981300000000, -0.0000124900000000, -0.0015317900000000 ]  - [  -0.0000638300000000,  0.0001457100000000, -0.0005108800000000 ]  - [  -0.0003236900000000, -0.0007812700000000, -0.0013171500000000 ]  - [   0.0000638300000000, -0.0001457100000000, -0.0005108800000000 ]  - [   0.0004686200000000,  0.0000923800000000,  0.0000170800000000 ]  - [  -0.0006264900000000,  0.0013482200000000,  0.0115259900000000 ]  - [   0.0006264900000000, -0.0013482200000000,  0.0115259900000000 ]  - [   0.0000018300000000, -0.0002420600000000, -0.0007053800000000 ]  - [   0.0004652000000000,  0.0000459800000000,  0.0002439400000000 ]  - [   0.0002807500000000, -0.0000948800000000,  0.0000001900000000 ]  - [   0.0002320700000000, -0.0000022700000000, -0.0004774400000000 ]  - [   0.0003137400000000, -0.0001450100000000,  0.0060927700000000 ]  - [  -0.0002807500000000,  0.0000948800000000,  0.0000001900000000 ]  - [   0.0000939500000000, -0.0000103600000000, -0.0004316500000000 ]  - [  -0.0015654600000000,  0.0005759000000000,  0.0105540500000000 ]  - [   0.0000083200000000, -0.0005687400000000,  0.0007389000000000 ]  - [  -0.0000083200000000,  0.0005687400000000,  0.0007389000000000 ]  - [  -0.0010175400000000, -0.0000675700000000, -0.0002181900000000 ]  - [   0.0001030200000000, -0.0002667000000000, -0.0004224800000000 ]  - [  -0.0001030200000000,  0.0002667000000000, -0.0004224800000000 ]  - [   0.0001976200000000,  0.0002120900000000, -0.0000605100000000 ]  - [  -0.0015941500000000, -0.0008065300000000,  0.0018230600000000 ]  - [  -0.0012821800000000, -0.0002675700000000, -0.0012131400000000 ]  - [   0.0015941500000000,  0.0008065300000000,  0.0018230600000000 ]  - [   0.0005900600000000,  0.0004110500000000,  0.0001179400000000 ]  - [   0.0001594000000000, -0.0000801700000000, -0.0001653800000000 ]  - [  -0.0001645200000000,  0.0001064100000000,  0.0009095600000000 ]  - [  -0.0001045200000000,  0.0001249700000000, -0.0000804000000000 ]  - [   0.0001045200000000, -0.0001249700000000, -0.0000804000000000 ]  - [   0.0001128600000000,  0.0001977900000000, -0.0014737200000000 ]  - [   0.0002452800000000,  0.0003660300000000, -0.0001292500000000 ]  - [  -0.0002452800000000, -0.0003660300000000, -0.0001292500000000 ]  - [  -0.0000998800000000, -0.0002373100000000,  0.0005942400000000 ]  - [  -0.0013534600000000,  0.0020432800000000,  0.0001031000000000 ]  - [  -0.0001117900000000,  0.0001553700000000, -0.0009276000000000 ]  - [   0.0013534600000000, -0.0020432800000000,  0.0001031000000000 ]  - [  -0.0002259700000000, -0.0002140700000000,  0.0005336100000000 ]  - [   0.0001746900000000, -0.0004473300000000, -0.0002518000000000 ]  - [   0.0002115800000000, -0.0006091200000000, -0.0008245000000000 ]  - [  -0.0001746900000000,  0.0004473300000000, -0.0002518000000000 ]  - [  -0.0002679700000000,  0.0002697500000000,  0.0006404700000000 ]  - [  -0.0002090200000000,  0.0001020000000000,  0.0004189900000000 ]  - [   0.0002090200000000, -0.0001020000000000,  0.0004189900000000 ]  - [   0.0001602600000000, -0.0012623000000000, -0.0016677500000000 ]  - [  -0.0000220700000000,  0.0000452600000000,  0.0004159200000000 ]  - [  -0.0002619100000000, -0.0000034000000000,  0.0005378300000000 ]  - [  -0.0001296100000000,  0.0003480700000000, -0.0000731400000000 ]  - [   0.0003024500000000, -0.0019460700000000, -0.0013633200000000 ]  - [   0.0002619100000000,  0.0000034000000000,  0.0005378300000000 ]  - [  -0.0007494700000000, -0.0010969500000000,  0.0019323000000000 ]  - [  -0.0004686200000000, -0.0000923800000000,  0.0000170800000000 ]  - [   0.0007494700000000,  0.0010969500000000,  0.0019323000000000 ]  - [   0.0003236900000000,  0.0007812700000000, -0.0013171500000000 ]  - [   0.0000934400000000,  0.0001497600000000,  0.0000670300000000 ]  - [  -0.0000934400000000, -0.0001497600000000,  0.0000670300000000 ]  - [  -0.0004652000000000, -0.0000459800000000,  0.0002439400000000 ]  - [  -0.0000018300000000,  0.0002420600000000, -0.0007053800000000 ]  - [   0.0004293000000000, -0.0009091300000000, -0.0001652400000000 ]  - [  -0.0003137400000000,  0.0001450100000000,  0.0060927700000000 ]  - [  -0.0002320700000000,  0.0000022700000000, -0.0004774400000000 ]  - [  -0.0004293000000000,  0.0009091300000000, -0.0001652400000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000149600000000,  0.0000390500000000, -0.0003006900000000 ]  - [   0.0001315600000000, -0.0001380600000000,  0.0002026200000000 ]  - [  -0.0051663600000000, -0.0020779400000000,  0.0008346400000000 ]  - [  -0.0014600600000000, -0.0000284500000000,  0.0001284700000000 ]  - [   0.0021201700000000,  0.0011818600000000,  0.0001123100000000 ]  - [  -0.0037232400000000, -0.0096947700000000, -0.0019312600000000 ]  - [   0.0000159000000000,  0.0000379900000000, -0.0003016000000000 ]  - [   0.0001288600000000, -0.0001387200000000,  0.0002024700000000 ]  - [  -0.0051671900000000, -0.0020586300000000,  0.0008793700000000 ]  - [  -0.0014623400000000, -0.0000276400000000,  0.0001259400000000 ]  - [   0.0021187000000000,  0.0011882300000000,  0.0001137200000000 ]  - [  -0.0037563200000000, -0.0097087200000000, -0.0019370600000000 ]  - [   0.0117348600000000,  0.0010278600000000, -0.0100381200000000 ]  - [   0.0000611500000000, -0.0000157400000000,  0.0016140700000000 ]  - [   0.0010058300000000, -0.0000226100000000,  0.0000246000000000 ]  - [   0.0022989300000000,  0.0001472600000000,  0.0000673800000000 ]  - [  -0.0006332600000000,  0.0002133300000000, -0.0002234000000000 ]  - [   0.0006430000000000, -0.0001635400000000, -0.0000160900000000 ]  - [   0.0118172100000000,  0.0010253800000000, -0.0101184500000000 ]  - [   0.0000654800000000, -0.0000142800000000,  0.0016115100000000 ]  - [   0.0010052400000000, -0.0000192700000000,  0.0000268500000000 ]  - [   0.0022998600000000,  0.0001527300000000,  0.0000623200000000 ]  - [  -0.0006302800000000,  0.0002142900000000, -0.0002217900000000 ]  - [   0.0006464500000000, -0.0001615500000000, -0.0000158200000000 ]  - [  -0.1715920100000000,  0.0087809700000000,  0.0087446800000000 ]  - [  -0.0006824400000000,  0.0000489300000000, -0.0000127500000000 ]  - [   0.0012026600000000, -0.0000412900000000,  0.0000487800000000 ]  - [  -0.0019379200000000, -0.0000781200000000,  0.0002108700000000 ]  - [   0.0000847700000000, -0.0015555700000000, -0.0015815400000000 ]  - [   0.0007378400000000,  0.0019378400000000,  0.0011488200000000 ]  - [   0.0007303700000000,  0.0016448000000000, -0.0017220000000000 ]  - [   0.0004845300000000, -0.0019407100000000,  0.0017176900000000 ]  - [   0.0006664800000000, -0.0000267500000000, -0.0000271000000000 ]  - [   0.0057718000000000, -0.0004995500000000,  0.0000776000000000 ]  - [  -0.0011991400000000, -0.0002096700000000, -0.0004992600000000 ]  - [   0.0012447200000000,  0.0000118100000000,  0.0000413200000000 ]  - [   0.0000775500000000, -0.0015599800000000, -0.0015861800000000 ]  - [   0.0007314100000000,  0.0019470700000000,  0.0011488500000000 ]  - [   0.0007374800000000,  0.0016416700000000, -0.0017157800000000 ]  - [   0.0004804600000000, -0.0019441800000000,  0.0017190900000000 ]  - [   0.0042110200000000, -0.0021120800000000,  0.0011845500000000 ]  - [   0.0009225100000000,  0.0002703600000000,  0.0007825400000000 ]  - [  -0.0000638600000000,  0.0001850800000000, -0.0002272000000000 ]  - [   0.0001052800000000, -0.0001472300000000, -0.0002529600000000 ]  - [   0.0004069100000000,  0.0002121300000000,  0.0001590400000000 ]  - [  -0.0000044700000000,  0.0002439400000000, -0.0001738000000000 ]  - [  -0.0000006700000000, -0.0002474000000000, -0.0001912500000000 ]  - [  -0.0004172200000000, -0.0001513000000000,  0.0001957400000000 ]  - [   0.0001891200000000,  0.0000967700000000,  0.0002039600000000 ]  - [   0.0001606400000000, -0.0001857900000000, -0.0002661800000000 ]  - [   0.0024275300000000,  0.0104106100000000,  0.0035035300000000 ]  - [  -0.0001225400000000,  0.0006175300000000, -0.0002629300000000 ]  - [   0.0040679100000000, -0.0025381900000000,  0.0007364800000000 ]  - [   0.0012112100000000,  0.0006073600000000,  0.0003254700000000 ]  - [   0.0002229700000000, -0.0001522100000000,  0.0002314400000000 ]  - [  -0.0001824600000000,  0.0001911900000000,  0.0002081300000000 ]  - [   0.0000696600000000, -0.0002451800000000, -0.0001278200000000 ]  - [   0.0003334400000000, -0.0002169900000000,  0.0001136400000000 ]  - [  -0.0003380400000000,  0.0002117500000000,  0.0000956600000000 ]  - [  -0.0000787200000000,  0.0003118100000000, -0.0000925700000000 ]  - [  -0.0002726800000000, -0.0001903100000000, -0.0001337700000000 ]  - [  -0.0002990700000000,  0.0001014400000000,  0.0000709700000000 ]  - [   0.0028732900000000,  0.0106092600000000,  0.0031539300000000 ]  - [   0.0003465800000000,  0.0003326000000000,  0.0000736800000000 ]  - [   0.0000487700000000,  0.0002217900000000,  0.0001405900000000 ]  - [  -0.0001461700000000,  0.0002710800000000, -0.0001731800000000 ]  - [  -0.0001013000000000, -0.0002057600000000,  0.0001441300000000 ]  - [   0.0002061600000000, -0.0002379800000000, -0.0001885700000000 ]  - [   0.0001584500000000,  0.0002758300000000,  0.0002385300000000 ]  - [  -0.0000966900000000, -0.0002894500000000,  0.0002426200000000 ]  - [   0.0017329700000000,  0.0015924600000000,  0.0006810600000000 ]  - [   0.0019492700000000, -0.0003387500000000,  0.0005454700000000 ]  - [   0.0002353800000000,  0.0007500900000000,  0.0002545700000000 ]  - [   0.0002118500000000,  0.0013279500000000, -0.0005314200000000 ]  - [  -0.0003253300000000,  0.0000998000000000, -0.0001974600000000 ]  - [  -0.0003261400000000, -0.0001337300000000,  0.0002061500000000 ]  - [  -0.0002385800000000, -0.0002391900000000, -0.0001974100000000 ]  - [   0.0001416900000000, -0.0001906400000000,  0.0001642000000000 ]  - [   0.0001859800000000,  0.0002539500000000, -0.0001935300000000 ]  - [  -0.0000811800000000,  0.0002233600000000,  0.0001492100000000 ]  - [  -0.0001798300000000, -0.0000107700000000, -0.0002217200000000 ]  - [   0.0002405100000000, -0.0000026600000000, -0.0002167000000000 ]  - [   0.0014014700000000,  0.0018899600000000,  0.0011408900000000 ]  - [   0.0022858000000000, -0.0006272100000000,  0.0009972100000000 ]  - [  -0.0002209800000000,  0.0004183000000000, -0.0000316500000000 ]  - [  -0.0002411400000000,  0.0016629100000000, -0.0002452800000000 ]  - [   0.0001321500000000, -0.0002371500000000,  0.0000895200000000 ]  - [   0.0001321300000000,  0.0002044100000000, -0.0000806200000000 ]  - [   0.0001898400000000,  0.0001491400000000,  0.0002638500000000 ]  - [  -0.0001813300000000, -0.0001663400000000,  0.0002637900000000 ]  - [  -0.0001561800000000,  0.0001716000000000, -0.0004009600000000 ]  - [   0.0002753200000000, -0.0001909000000000, -0.0003340000000000 ]  - [  -0.0003655200000000,  0.0004931100000000, -0.0000372400000000 ]  - [  -0.0016582500000000, -0.0004770000000000, -0.0002717300000000 ]  - [   0.0005510400000000, -0.0002160000000000, -0.0001522000000000 ]  - [   0.0000540500000000, -0.0002541800000000,  0.0001548700000000 ]  - [   0.0005365000000000, -0.0002572000000000,  0.0002111200000000 ]  - [   0.0003362500000000, -0.0003341800000000, -0.0001531800000000 ]  - [  -0.0001848100000000, -0.0000997000000000,  0.0001786200000000 ]  - [  -0.0001663400000000,  0.0001826400000000, -0.0002473600000000 ]  - [  -0.0000973100000000, -0.0001885900000000, -0.0001975100000000 ]  - [   0.0001065200000000,  0.0001722200000000, -0.0001998000000000 ]  - [   0.0001326600000000, -0.0001663400000000,  0.0000588800000000 ]  - [  -0.0000117700000000,  0.0001472500000000,  0.0001283700000000 ]  - [  -0.0007016000000000,  0.0000304700000000, -0.0003226800000000 ]  - [  -0.0013333500000000, -0.0009354600000000,  0.0000322900000000 ]  - [   0.0002130600000000,  0.0002408000000000,  0.0001339200000000 ]  - [   0.0003920400000000,  0.0002068900000000, -0.0001328400000000 ]  - [   0.0000772400000000, -0.0005440500000000, -0.0001270000000000 ]  - [  -0.0001221800000000, -0.0000467000000000,  0.0001841900000000 ]  - [   0.0002776600000000,  0.0001879300000000, -0.0001595100000000 ]  - [   0.0002968000000000, -0.0001046100000000,  0.0000907000000000 ]  - [   0.0004007000000000,  0.0002520500000000,  0.0000593700000000 ]  - [   0.0002767500000000,  0.0002250700000000, -0.0000247300000000 ]  - [  -0.0001995200000000,  0.0000417800000000, -0.0006193700000000 ]  - [  -0.0016079100000000, -0.0003538300000000,  0.0015081100000000 ]  - [   0.0001782500000000,  0.0000270500000000,  0.0002428100000000 ]  - [  -0.0002132100000000, -0.0000690400000000,  0.0002321200000000 ]  - [   0.0001757200000000, -0.0001372800000000, -0.0002193000000000 ]  - [  -0.0001794000000000,  0.0001512500000000, -0.0002112700000000 ]  - [   0.0003206100000000,  0.0001570800000000,  0.0001065900000000 ]  - [   0.0003219000000000, -0.0001168800000000, -0.0001702000000000 ]  - [  -0.0000581900000000,  0.0001875600000000, -0.0000464000000000 ]  - [   0.0000116900000000, -0.0003595500000000,  0.0001532500000000 ]  - [   0.0001133400000000, -0.0002087400000000, -0.0002792400000000 ]  - [   0.0005638800000000, -0.0002361500000000,  0.0003119700000000 ]  - [   0.0000849200000000,  0.0004976000000000, -0.0009516700000000 ]  - [  -0.0018852900000000,  0.0001037500000000,  0.0018426500000000 ]  - [  -0.0001582200000000, -0.0002588600000000, -0.0002180600000000 ]  - [   0.0001255500000000,  0.0002171500000000, -0.0002277000000000 ]  - [  -0.0001616000000000,  0.0001498200000000,  0.0002404300000000 ]  - [   0.0001587300000000, -0.0001360400000000,  0.0002494900000000 ]  - [  -0.0001408300000000, -0.0001806500000000, -0.0001810200000000 ]  - [  -0.0001378700000000,  0.0002212800000000,  0.0001167900000000 ]  - [   0.0003986800000000, -0.0001497300000000,  0.0002391400000000 ]  - [   0.0004705400000000, -0.0000214200000000, -0.0001339300000000 ]  - [  -0.0003083900000000,  0.0000494400000000, -0.0002720000000000 ]  - [  -0.0042183400000000, -0.0008947000000000, -0.0004161400000000 ]  - [  -0.0004878700000000, -0.0003226800000000,  0.0002278200000000 ]  - [   0.0004164700000000,  0.0012842400000000,  0.0003187300000000 ]  - [   0.0012497800000000, -0.0001439900000000,  0.0004297100000000 ]  - [  -0.0003075700000000, -0.0002930300000000,  0.0000885800000000 ]  - [   0.0003222200000000,  0.0003159900000000,  0.0000792000000000 ]  - [   0.0006803400000000,  0.0001405800000000, -0.0000387200000000 ]  - [  -0.0018155000000000,  0.0001751800000000,  0.0000148600000000 ]  - [   0.0002766200000000,  0.0000614900000000,  0.0001542400000000 ]  - [   0.0150807600000000,  0.0020400500000000, -0.0002306000000000 ]  - [   0.0017099000000000, -0.0004583900000000,  0.0000981600000000 ]  - [  -0.0002533900000000,  0.0001539500000000,  0.0002298400000000 ]  - [  -0.0042877600000000, -0.0010017800000000,  0.0000780100000000 ]  - [  -0.0005418600000000, -0.0002188100000000, -0.0002651100000000 ]  - [   0.0004741000000000,  0.0011817800000000, -0.0001835900000000 ]  - [   0.0013484700000000,  0.0003554300000000,  0.0004801000000000 ]  - [  -0.0004141400000000,  0.0002074100000000,  0.0000319900000000 ]  - [   0.0004273000000000, -0.0001795400000000,  0.0000240900000000 ]  - [   0.0005743600000000, -0.0003654900000000,  0.0000180100000000 ]  - [  -0.0013179600000000,  0.0002267100000000,  0.0001210400000000 ]  - [   0.0007736700000000,  0.0000044000000000,  0.0000448800000000 ]  - [   0.0147037200000000,  0.0020777900000000, -0.0001014100000000 ]  - [   0.0012020600000000, -0.0004094900000000, -0.0000049100000000 ]  - [   0.0010670400000000,  0.0000760000000000,  0.0003974400000000 ]  - [   0.0008296600000000, -0.0004091400000000, -0.0002727500000000 ]  - [  -0.0008932200000000, -0.0000223300000000,  0.0001225400000000 ]  - [   0.0017804100000000,  0.0017856000000000, -0.0021587800000000 ]  - [   0.0002323700000000, -0.0006413800000000,  0.0000101900000000 ]  - [  -0.0002639200000000,  0.0005012000000000, -0.0000066100000000 ]  - [  -0.0008471400000000, -0.0023414000000000, -0.0020616000000000 ]  - [   0.0002603900000000,  0.0003279200000000, -0.0000026300000000 ]  - [  -0.0005567700000000, -0.0009931900000000, -0.0003148800000000 ]  - [  -0.0015814500000000, -0.0027405800000000,  0.0015008700000000 ]  - [   0.0002580400000000,  0.0002500700000000,  0.0003060300000000 ]  - [  -0.0001791400000000,  0.0010835200000000, -0.0003913300000000 ]  - [   0.0011142100000000,  0.0005762800000000,  0.0005021800000000 ]  - [   0.0007787100000000,  0.0000926300000000, -0.0003772900000000 ]  - [  -0.0009497200000000, -0.0005168300000000,  0.0002271900000000 ]  - [   0.0018258600000000,  0.0012835800000000, -0.0022588200000000 ]  - [   0.0003394700000000, -0.0005871000000000,  0.0005087900000000 ]  - [  -0.0003676700000000,  0.0004468700000000,  0.0004896400000000 ]  - [  -0.0007398100000000, -0.0024122600000000, -0.0025618900000000 ]  - [   0.0001526400000000,  0.0003824900000000, -0.0005007000000000 ]  - [  -0.0000632200000000, -0.0008886800000000, -0.0002599000000000 ]  - [  -0.0010858600000000, -0.0028306800000000,  0.0014360700000000 ]  - [  -0.0002348700000000,  0.0003560500000000,  0.0002494900000000 ]  - [  -0.0006759300000000,  0.0009765600000000, -0.0003358300000000 ]  - [   0.0450102000000000, -0.0113265700000000,  0.0132881400000000 ]  - [   0.0003044300000000, -0.0000610300000000, -0.0002716000000000 ]  - [   0.0005726700000000,  0.0000287200000000,  0.0004369100000000 ]  - [  -0.0006143700000000,  0.0000417600000000,  0.0002768300000000 ]  - [  -0.0005994400000000, -0.0001432800000000, -0.0000186600000000 ]  - [   0.0159608700000000,  0.0045409000000000, -0.0145740600000000 ]  - [  -0.0027398300000000,  0.0003068300000000, -0.0000896900000000 ]  - [  -0.0006555400000000,  0.0002496700000000, -0.0001445000000000 ]  - [   0.0001335900000000, -0.0000507600000000, -0.0000958400000000 ]  - [  -0.0009823800000000,  0.0001032400000000, -0.0000169500000000 ]  - [  -0.0000948900000000,  0.0000352600000000, -0.0000669400000000 ]  - [  -0.0002598600000000, -0.0000640200000000,  0.0001268100000000 ]  - [   0.0478425100000000, -0.0123939800000000,  0.0145895900000000 ]  - [   0.0002472200000000, -0.0001676800000000,  0.0002309400000000 ]  - [   0.0005124300000000,  0.0001336800000000, -0.0000594800000000 ]  - [  -0.0005606200000000, -0.0000647000000000, -0.0002257800000000 ]  - [  -0.0004942000000000,  0.0003479900000000,  0.0000359700000000 ]  - [   0.0157845200000000,  0.0050774800000000, -0.0148818600000000 ]  - [  -0.0026412500000000, -0.0001861000000000, -0.0001441100000000 ]  - [  -0.0007631000000000, -0.0002519500000000, -0.0000868300000000 ]  - [   0.0006347300000000,  0.0000044600000000,  0.0000090700000000 ]  - [  -0.0004898400000000,  0.0000461700000000, -0.0001223500000000 ]  - [  -0.0005975700000000, -0.0000222200000000,  0.0000392000000000 ]  - [  -0.0007650400000000, -0.0000084800000000,  0.0000218500000000 ]  - [  -0.0008714700000000, -0.0000598100000000,  0.0003831500000000 ]  - [  -0.0010415000000000, -0.0005855300000000, -0.0001878100000000 ]  - [   0.0006040100000000, -0.0004460200000000,  0.0008672800000000 ]  - [  -0.0007196700000000,  0.0004960300000000, -0.0002070300000000 ]  - [  -0.0010289900000000, -0.0008916200000000,  0.0011532800000000 ]  - [   0.0005184600000000,  0.0010818900000000,  0.0011409400000000 ]  - [  -0.0003193400000000, -0.0001478100000000,  0.0000619900000000 ]  - [  -0.0019363700000000,  0.0010510500000000, -0.0015136100000000 ]  - [  -0.0004831600000000, -0.0002801600000000, -0.0004860400000000 ]  - [  -0.0003614400000000, -0.0002580300000000,  0.0003194200000000 ]  - [  -0.0007221900000000,  0.0018801300000000,  0.0015231300000000 ]  - [   0.0003210900000000,  0.0001930400000000, -0.0005745400000000 ]  - [  -0.0008146000000000,  0.0004394500000000,  0.0004897000000000 ]  - [  -0.0010983800000000, -0.0000844000000000, -0.0002922500000000 ]  - [   0.0005537600000000, -0.0009382600000000,  0.0009712000000000 ]  - [  -0.0006625600000000, -0.0000026800000000, -0.0003125500000000 ]  - [  -0.0009271600000000, -0.0008302400000000,  0.0016439100000000 ]  - [   0.0004031600000000,  0.0010245700000000,  0.0016300400000000 ]  - [  -0.0002158800000000, -0.0002039900000000, -0.0004372400000000 ]  - [  -0.0020419500000000,  0.0011104800000000, -0.0020095500000000 ]  - [   0.0000185500000000, -0.0001764200000000, -0.0004319200000000 ]  - [   0.0001379700000000, -0.0003645300000000,  0.0002643300000000 ]  - [  -0.0012126700000000,  0.0019755200000000,  0.0014662000000000 ]  - [  -0.0001728200000000,  0.0000870500000000, -0.0005193100000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000879600000000, -0.0000057600000000, -0.0000317300000000 ]  - [  -0.0001562900000000, -0.0000611600000000, -0.0000073400000000 ]  - [   0.0000349700000000, -0.0001210100000000, -0.0001249400000000 ]  - [   0.0000423900000000,  0.0003300600000000, -0.0001057500000000 ]  - [  -0.0000250900000000,  0.0004407400000000, -0.0001956000000000 ]  - [  -0.0006171300000000,  0.0008705200000000,  0.0005495600000000 ]  - [  -0.0000492000000000, -0.0000114100000000,  0.0000247100000000 ]  - [   0.0000709400000000, -0.0000369400000000,  0.0000236200000000 ]  - [   0.0001234000000000, -0.0015719600000000, -0.0012460100000000 ]  - [  -0.0000208700000000,  0.0000066700000000,  0.0000448300000000 ]  - [   0.0002643500000000, -0.0000523400000000, -0.0000143300000000 ]  - [   0.0002718600000000, -0.0002540700000000,  0.0001781500000000 ]  - [   0.0000344200000000, -0.0001829900000000, -0.0017123300000000 ]  - [   0.0000709000000000,  0.0000074900000000, -0.0000332900000000 ]  - [   0.0001076300000000,  0.0000335000000000,  0.0000335700000000 ]  - [  -0.0000422900000000,  0.0000146600000000, -0.0000766900000000 ]  - [   0.0000475800000000,  0.0000549200000000, -0.0001306000000000 ]  - [   0.0000916400000000,  0.0000150000000000, -0.0000081900000000 ]  - [   0.0010343700000000, -0.0001159300000000,  0.0000904200000000 ]  - [  -0.0005622200000000,  0.0003155700000000,  0.0009591500000000 ]  - [   0.0000039900000000, -0.0000072700000000, -0.0000109500000000 ]  - [   0.0009622200000000, -0.0000875300000000,  0.0002574700000000 ]  - [  -0.0001333500000000, -0.0000069400000000,  0.0000138800000000 ]  - [  -0.0000060200000000, -0.0000637300000000,  0.0002164500000000 ]  - [   0.0042186900000000, -0.0001743500000000,  0.0105996500000000 ]  - [  -0.0000359400000000,  0.0000159300000000, -0.0000411900000000 ]  - [   0.0000807900000000, -0.0000116900000000, -0.0000471400000000 ]  - [  -0.0000389100000000,  0.0000092000000000,  0.0000390000000000 ]  - [  -0.0000939500000000,  0.0000758400000000,  0.0000964300000000 ]  - [  -0.0000543900000000,  0.0004937200000000,  0.0001142500000000 ]  - [   0.0004224300000000,  0.0001358900000000, -0.0000638000000000 ]  - [  -0.0017371600000000, -0.0017452200000000,  0.0003941700000000 ]  - [   0.0000483100000000, -0.0000282900000000,  0.0000449800000000 ]  - [   0.0010650400000000, -0.0001819100000000, -0.0004747800000000 ]  - [  -0.0000123800000000, -0.0000529400000000, -0.0003990700000000 ]  - [   0.0001354000000000,  0.0000486800000000,  0.0001875700000000 ]  - [   0.0002578300000000, -0.0001464000000000, -0.0000566400000000 ]  - [   0.0000419400000000, -0.0000046200000000, -0.0000358800000000 ]  - [  -0.0000024500000000, -0.0001168100000000, -0.0000088300000000 ]  - [   0.0000642300000000, -0.0000056600000000,  0.0000249400000000 ]  - [  -0.0311094000000000, -0.0091087800000000, -0.0859704500000000 ]  - [   0.0008184300000000,  0.0005303200000000,  0.0007472700000000 ]  - [  -0.0001531100000000,  0.0001682700000000, -0.0002407700000000 ]  - [   0.0001367700000000, -0.0001636800000000, -0.0002212400000000 ]  - [   0.0002063200000000,  0.0002199600000000,  0.0001330400000000 ]  - [  -0.0001271600000000,  0.0002188600000000, -0.0001344200000000 ]  - [   0.0001508200000000, -0.0002393800000000, -0.0001491500000000 ]  - [  -0.0001939100000000, -0.0002322200000000,  0.0001302900000000 ]  - [   0.0002156500000000,  0.0001321200000000,  0.0001722900000000 ]  - [   0.0002122100000000, -0.0001327700000000, -0.0001579000000000 ]  - [   0.0000482600000000,  0.0004170800000000,  0.0005710400000000 ]  - [  -0.0002224400000000,  0.0001328200000000, -0.0001354900000000 ]  - [  -0.0002053900000000, -0.0001102000000000, -0.0002293300000000 ]  - [   0.0001427000000000,  0.0001714700000000, -0.0002297000000000 ]  - [   0.0001685000000000, -0.0001745800000000,  0.0002390200000000 ]  - [  -0.0001305700000000,  0.0001614000000000,  0.0002209900000000 ]  - [  -0.0001632500000000, -0.0002427900000000, -0.0001505700000000 ]  - [   0.0001717300000000, -0.0002331900000000,  0.0001430300000000 ]  - [  -0.0001696500000000,  0.0002281600000000,  0.0001441900000000 ]  - [   0.0001745000000000,  0.0002239200000000, -0.0001391800000000 ]  - [  -0.0002206400000000, -0.0001482100000000, -0.0001775600000000 ]  - [  -0.0002201600000000,  0.0001395300000000,  0.0001504500000000 ]  - [   0.0000486900000000, -0.0001403800000000, -0.0000653100000000 ]  - [   0.0001860500000000, -0.0001696500000000,  0.0001776900000000 ]  - [   0.0001271000000000,  0.0002310500000000,  0.0001619100000000 ]  - [  -0.0001157300000000,  0.0002304400000000, -0.0001955200000000 ]  - [  -0.0001313300000000, -0.0002258600000000,  0.0001659000000000 ]  - [   0.0000916300000000, -0.0002198000000000, -0.0002184600000000 ]  - [   0.0001471400000000,  0.0001423800000000,  0.0002274500000000 ]  - [  -0.0001876900000000, -0.0001349800000000,  0.0002289600000000 ]  - [  -0.0007210500000000,  0.0013578400000000, -0.0002178100000000 ]  - [   0.0030166200000000, -0.0013306900000000, -0.0000547600000000 ]  - [   0.0002191100000000,  0.0001155800000000,  0.0001525700000000 ]  - [   0.0002603700000000, -0.0000079500000000, -0.0000168700000000 ]  - [  -0.0002476300000000,  0.0001706600000000, -0.0001381400000000 ]  - [  -0.0002616700000000, -0.0001364900000000,  0.0000189300000000 ]  - [  -0.0001550900000000, -0.0002438700000000, -0.0001645600000000 ]  - [   0.0001492100000000, -0.0002310900000000,  0.0001707600000000 ]  - [   0.0001486300000000,  0.0002262700000000, -0.0001690900000000 ]  - [  -0.0001394400000000,  0.0002333200000000,  0.0001684000000000 ]  - [  -0.0001472800000000, -0.0001371600000000, -0.0002242900000000 ]  - [   0.0001922600000000,  0.0001330100000000, -0.0002201500000000 ]  - [  -0.0001700400000000,  0.0001840800000000,  0.0002461000000000 ]  - [   0.0002239400000000, -0.0001470200000000,  0.0002400900000000 ]  - [  -0.0002797000000000, -0.0002140700000000, -0.0001753400000000 ]  - [  -0.0002485200000000,  0.0001645200000000,  0.0002271700000000 ]  - [   0.0002247900000000, -0.0001850500000000,  0.0001249700000000 ]  - [   0.0002351700000000,  0.0001662900000000, -0.0001559600000000 ]  - [   0.0001477800000000,  0.0001680300000000,  0.0002343100000000 ]  - [  -0.0001384800000000, -0.0001697000000000,  0.0002212400000000 ]  - [  -0.0000900300000000,  0.0001696100000000, -0.0002562500000000 ]  - [   0.0001949100000000, -0.0001632900000000, -0.0002479100000000 ]  - [   0.0001481200000000,  0.0002431800000000,  0.0001156000000000 ]  - [  -0.0001773900000000,  0.0002497100000000,  0.0004169900000000 ]  - [   0.0001639400000000, -0.0002457100000000, -0.0001353000000000 ]  - [  -0.0001631400000000, -0.0002374300000000,  0.0001490800000000 ]  - [   0.0002309600000000,  0.0001143900000000,  0.0002048600000000 ]  - [   0.0002550600000000, -0.0001500400000000, -0.0001628000000000 ]  - [  -0.0002282500000000, -0.0001340500000000,  0.0001802400000000 ]  - [  -0.0002381800000000,  0.0001481500000000, -0.0001324900000000 ]  - [  -0.0001641200000000, -0.0001934700000000, -0.0002307100000000 ]  - [   0.0001281500000000,  0.0001727700000000, -0.0002314600000000 ]  - [   0.0001820000000000, -0.0001609200000000,  0.0002302500000000 ]  - [  -0.0001605500000000,  0.0001781200000000,  0.0002296100000000 ]  - [  -0.0001977000000000, -0.0001329300000000, -0.0003641800000000 ]  - [   0.0011749600000000,  0.0004647000000000, -0.0001498800000000 ]  - [  -0.0001013400000000,  0.0002655200000000,  0.0001716100000000 ]  - [   0.0001899800000000,  0.0002466600000000, -0.0001380100000000 ]  - [  -0.0001459200000000, -0.0003639400000000, -0.0003875300000000 ]  - [  -0.0002526100000000,  0.0001382900000000,  0.0001234000000000 ]  - [   0.0002475200000000,  0.0001436700000000, -0.0001704300000000 ]  - [   0.0002446000000000, -0.0001442900000000,  0.0001589100000000 ]  - [   0.0001304300000000,  0.0002394400000000,  0.0001743200000000 ]  - [  -0.0001328400000000,  0.0002340000000000, -0.0001740500000000 ]  - [  -0.0001157400000000, -0.0002026800000000,  0.0001172100000000 ]  - [   0.0000916600000000, -0.0002219900000000, -0.0001507400000000 ]  - [   0.0002023800000000,  0.0001420600000000,  0.0002150100000000 ]  - [  -0.0001463600000000, -0.0001324200000000,  0.0002143300000000 ]  - [   0.0001784000000000, -0.0001439800000000, -0.0002340500000000 ]  - [  -0.0001637000000000,  0.0001443400000000, -0.0002424400000000 ]  - [   0.0002356700000000,  0.0001811900000000,  0.0001513200000000 ]  - [   0.0002172600000000, -0.0001690200000000, -0.0001301200000000 ]  - [  -0.0002116400000000,  0.0001918600000000, -0.0001371600000000 ]  - [  -0.0002141200000000, -0.0001536100000000,  0.0001315100000000 ]  - [  -0.0000902500000000, -0.0002068900000000, -0.0001568300000000 ]  - [   0.0002171200000000, -0.0001830100000000,  0.0002500300000000 ]  - [   0.0002170700000000,  0.0002757600000000, -0.0003600600000000 ]  - [  -0.0002924800000000,  0.0010284000000000, -0.0015254200000000 ]  - [  -0.0001715800000000, -0.0000778900000000, -0.0002640200000000 ]  - [   0.0001562600000000,  0.0001437600000000, -0.0002376700000000 ]  - [  -0.0001797800000000,  0.0001460600000000,  0.0002264100000000 ]  - [   0.0001567100000000, -0.0001831600000000,  0.0002351800000000 ]  - [  -0.0002285700000000, -0.0001758500000000, -0.0001371900000000 ]  - [  -0.0002173500000000,  0.0001579600000000,  0.0001559600000000 ]  - [   0.0002877700000000, -0.0002574000000000,  0.0000044400000000 ]  - [   0.0003194700000000,  0.0000216900000000, -0.0002289500000000 ]  - [  -0.0000699600000000, -0.0000454200000000, -0.0002530800000000 ]  - [  -0.0015408800000000, -0.0007961700000000,  0.0005366600000000 ]  - [   0.0000496700000000, -0.0001157200000000,  0.0002851400000000 ]  - [   0.0000678300000000, -0.0000026200000000,  0.0002602100000000 ]  - [  -0.0000206400000000, -0.0002445900000000,  0.0000795500000000 ]  - [  -0.0000141800000000, -0.0002323100000000,  0.0000045200000000 ]  - [  -0.0000456100000000,  0.0002269700000000,  0.0000795000000000 ]  - [   0.0001355900000000,  0.0002178700000000, -0.0000223800000000 ]  - [  -0.0004677500000000, -0.0001441300000000,  0.0000767000000000 ]  - [  -0.0002336100000000, -0.0000243600000000,  0.0001499000000000 ]  - [   0.0018624800000000,  0.0006366300000000, -0.0004803800000000 ]  - [   0.0001871100000000, -0.0001133600000000, -0.0000334200000000 ]  - [   0.0000466300000000,  0.0001041900000000,  0.0002198900000000 ]  - [  -0.0002552200000000, -0.0000741100000000,  0.0002131200000000 ]  - [  -0.0000986700000000,  0.0000649800000000, -0.0002558800000000 ]  - [  -0.0000067800000000, -0.0000037000000000, -0.0002639200000000 ]  - [   0.0002322200000000,  0.0003362200000000,  0.0007322700000000 ]  - [  -0.0000511400000000,  0.0002611500000000, -0.0000375500000000 ]  - [   0.0000733300000000, -0.0002499900000000, -0.0000271700000000 ]  - [  -0.0000733300000000, -0.0002395900000000, -0.0000133700000000 ]  - [  -0.0000973800000000,  0.0002432900000000,  0.0003081800000000 ]  - [   0.0002627200000000,  0.0000238600000000,  0.0001370800000000 ]  - [  -0.0006833600000000,  0.0009533400000000, -0.0006861600000000 ]  - [  -0.0002144000000000,  0.0001412100000000, -0.0001112700000000 ]  - [  -0.0001324400000000, -0.0001114800000000, -0.0000296800000000 ]  - [   0.0002772700000000, -0.0002590400000000,  0.0000505600000000 ]  - [  -0.0001856400000000,  0.0003091300000000, -0.0000484500000000 ]  - [  -0.0000053700000000,  0.0002506600000000, -0.0000278000000000 ]  - [  -0.0000161600000000, -0.0000314700000000, -0.0002644800000000 ]  - [   0.0000868700000000,  0.0000085900000000, -0.0002598100000000 ]  - [   0.0011151300000000, -0.0007053500000000,  0.0001905700000000 ]  - [   0.0000369100000000, -0.0000230400000000,  0.0002579400000000 ]  - [  -0.0002666500000000, -0.0000061100000000, -0.0000295100000000 ]  - [  -0.0005063100000000, -0.0001982200000000, -0.0000669500000000 ]  - [   0.0003018200000000, -0.0000512400000000, -0.0000241000000000 ]  - [   0.0001629100000000,  0.0000670500000000, -0.0000737100000000 ]  - [   0.0000244200000000,  0.0002650400000000, -0.0000381600000000 ]  - [  -0.0000374800000000,  0.0002656800000000, -0.0000165400000000 ]  - [   0.0000141600000000, -0.0002324100000000,  0.0001246500000000 ]  - [   0.0012046700000000, -0.0010881400000000,  0.0009822000000000 ]  - [  -0.0000336300000000, -0.0000159300000000,  0.0002551500000000 ]  - [  -0.0001430100000000,  0.0000060700000000,  0.0002533300000000 ]  - [   0.0000560700000000, -0.0000654900000000, -0.0002488200000000 ]  - [   0.0001600600000000, -0.0000240100000000, -0.0002040200000000 ]  - [   0.0003742400000000, -0.0000322000000000,  0.0001116900000000 ]  - [   0.0003186000000000,  0.0000383500000000,  0.0000251700000000 ]  - [  -0.0003039300000000,  0.0000985800000000,  0.0000286400000000 ]  - [  -0.0000010900000000,  0.0004768100000000,  0.0001736700000000 ]  - [   0.0253966300000000,  0.0078726200000000,  0.0775116400000000 ]  - [   0.0000121900000000,  0.0000444200000000, -0.0002274300000000 ]  - [  -0.0000672100000000, -0.0000638100000000,  0.0003461300000000 ]  - [  -0.0001532500000000,  0.0000244400000000,  0.0002594000000000 ]  - [  -0.0000940200000000, -0.0002157200000000, -0.0000034200000000 ]  - [   0.0003277400000000, -0.0014576600000000,  0.0010180100000000 ]  - [   0.0000930800000000,  0.0002841000000000,  0.0003361200000000 ]  - [   0.0000160500000000,  0.0002432400000000, -0.0000472900000000 ]  - [  -0.0002201000000000, -0.0000489300000000, -0.0000040700000000 ]  - [  -0.0003268000000000, -0.0000034700000000,  0.0000482100000000 ]  - [   0.0002264200000000,  0.0000205400000000, -0.0000779100000000 ]  - [   0.0002370500000000, -0.0000711000000000, -0.0000077300000000 ]  - [  -0.0002699000000000,  0.0001356300000000, -0.0001244700000000 ]  - [   0.0000182100000000, -0.0000629000000000,  0.0002493800000000 ]  - [   0.0001265300000000,  0.0000627400000000, -0.0002827900000000 ]  - [   0.0000225800000000, -0.0000491000000000, -0.0003602900000000 ]  - [   0.0000207000000000,  0.0002713000000000,  0.0000491600000000 ]  - [  -0.0035826300000000,  0.0007488400000000, -0.0003203000000000 ]  - [  -0.0004691700000000, -0.0003074800000000, -0.0001229000000000 ]  - [  -0.0001872200000000, -0.0003549300000000, -0.0001816900000000 ]  - [   0.0002667800000000,  0.0000334000000000,  0.0000647100000000 ]  - [   0.0002322400000000,  0.0000074700000000,  0.0000037500000000 ]  - [  -0.0002881800000000, -0.0000058600000000,  0.0000351800000000 ]  - [  -0.0003222200000000,  0.0000319800000000, -0.0001606100000000 ]  - [   0.0000121100000000, -0.0002613700000000, -0.0001085900000000 ]  - [  -0.0000052300000000, -0.0002472000000000,  0.0000760700000000 ]  - [   0.0000013000000000,  0.0002167000000000, -0.0000251700000000 ]  - [  -0.0001654500000000,  0.0006349300000000, -0.0001336300000000 ]  - [  -0.0003985400000000, -0.0000711300000000, -0.0001910600000000 ]  - [  -0.0001537600000000,  0.0001828400000000, -0.0001392300000000 ]  - [  -0.0000789600000000,  0.0000367700000000,  0.0002558700000000 ]  - [  -0.0012721300000000,  0.0017380400000000, -0.0011619400000000 ]  - [  -0.0002390100000000, -0.0001634600000000, -0.0001258800000000 ]  - [  -0.0002236000000000,  0.0000790700000000, -0.0000060500000000 ]  - [   0.0001202800000000,  0.0000034000000000,  0.0000224400000000 ]  - [   0.0006074800000000,  0.0001922900000000, -0.0001792000000000 ]  - [  -0.0001255200000000,  0.0002336800000000,  0.0000613400000000 ]  - [  -0.0000800600000000,  0.0000870500000000, -0.0001557800000000 ]  - [  -0.0002237800000000, -0.0004079700000000,  0.0002383300000000 ]  - [  -0.0000093300000000, -0.0002586500000000, -0.0000577500000000 ]  - [   0.0001014500000000,  0.0002433700000000, -0.0000532000000000 ]  - [  -0.0000781000000000, -0.0000662200000000,  0.0001967400000000 ]  - [   0.0000854600000000, -0.0000722800000000, -0.0002623200000000 ]  - [  -0.0001214100000000,  0.0000236000000000, -0.0002558100000000 ]  - [   0.0002157700000000,  0.0000571600000000,  0.0000444600000000 ]  - [   0.0001644700000000, -0.0000683100000000, -0.0000068000000000 ]  - [   0.0000971900000000, -0.0000817300000000,  0.0000998100000000 ]  - [  -0.0002796600000000, -0.0000523500000000,  0.0000425000000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000853500000000,  0.0000073000000000,  0.0000371400000000 ]  - [   0.0001589800000000,  0.0000626200000000,  0.0000084300000000 ]  - [  -0.0000383000000000,  0.0001222600000000,  0.0001237600000000 ]  - [  -0.0000478300000000, -0.0003300100000000,  0.0001102400000000 ]  - [   0.0000313000000000, -0.0004437500000000,  0.0001908400000000 ]  - [   0.0006021200000000, -0.0008899900000000, -0.0005701100000000 ]  - [   0.0000468000000000,  0.0000118200000000, -0.0000203500000000 ]  - [  -0.0000712500000000,  0.0000374400000000, -0.0000230600000000 ]  - [  -0.0001460400000000,  0.0015643000000000,  0.0012402000000000 ]  - [   0.0000192100000000, -0.0000076200000000, -0.0000432700000000 ]  - [  -0.0002657800000000,  0.0000529300000000,  0.0000137600000000 ]  - [  -0.0002699900000000,  0.0002497400000000, -0.0001791600000000 ]  - [  -0.0000139500000000,  0.0001795100000000,  0.0017083400000000 ]  - [  -0.0000688700000000, -0.0000065100000000,  0.0000377800000000 ]  - [  -0.0001051500000000, -0.0000324800000000, -0.0000365700000000 ]  - [   0.0000424700000000, -0.0000180500000000,  0.0000774100000000 ]  - [  -0.0000491200000000, -0.0000541100000000,  0.0001275600000000 ]  - [  -0.0000918300000000, -0.0000185100000000,  0.0000095500000000 ]  - [  -0.0010211400000000,  0.0001107200000000, -0.0000900700000000 ]  - [   0.0005707100000000, -0.0003183300000000, -0.0009394600000000 ]  - [  -0.0000050300000000,  0.0000099700000000,  0.0000148900000000 ]  - [  -0.0009595300000000,  0.0000884400000000, -0.0002595300000000 ]  - [   0.0001282400000000,  0.0000070300000000, -0.0000097900000000 ]  - [   0.0000076900000000,  0.0000675500000000, -0.0002131800000000 ]  - [  -0.0040614900000000,  0.0000632600000000, -0.0104200600000000 ]  - [   0.0000369000000000, -0.0000159200000000,  0.0000397800000000 ]  - [  -0.0000800800000000,  0.0000107000000000,  0.0000470800000000 ]  - [   0.0000375500000000, -0.0000093100000000, -0.0000421900000000 ]  - [   0.0000962200000000, -0.0000746400000000, -0.0000962200000000 ]  - [   0.0000610300000000, -0.0004717700000000, -0.0001096900000000 ]  - [  -0.0004207400000000, -0.0001299500000000,  0.0000603800000000 ]  - [   0.0017557800000000,  0.0017376000000000, -0.0003840400000000 ]  - [  -0.0000457200000000,  0.0000302200000000, -0.0000437900000000 ]  - [  -0.0010675400000000,  0.0001798700000000,  0.0004756600000000 ]  - [   0.0000094600000000,  0.0000513700000000,  0.0004028900000000 ]  - [  -0.0001310600000000, -0.0000482700000000, -0.0001898200000000 ]  - [  -0.0002570300000000,  0.0001447300000000,  0.0000537100000000 ]  - [  -0.0000414800000000,  0.0000084900000000,  0.0000383800000000 ]  - [   0.0000024800000000,  0.0001148100000000,  0.0000094700000000 ]  - [  -0.0000622100000000,  0.0000059800000000, -0.0000254500000000 ]  - [   0.0336221700000000,  0.0099132800000000,  0.0891712900000000 ]  - [  -0.0011060600000000, -0.0008745900000000, -0.0002941400000000 ]  - [  -0.0001347800000000,  0.0001703400000000, -0.0002254400000000 ]  - [   0.0001492500000000, -0.0001731100000000, -0.0002344900000000 ]  - [   0.0001324100000000,  0.0002470200000000,  0.0001554000000000 ]  - [  -0.0002112000000000,  0.0002434100000000, -0.0001525200000000 ]  - [   0.0001865400000000, -0.0002241400000000, -0.0001385900000000 ]  - [  -0.0001433300000000, -0.0002197700000000,  0.0001552700000000 ]  - [   0.0002491300000000,  0.0001555000000000,  0.0001665900000000 ]  - [   0.0002539200000000, -0.0001557100000000, -0.0001799800000000 ]  - [  -0.0004907700000000, -0.0007040200000000, -0.0002418700000000 ]  - [  -0.0002254500000000,  0.0001528400000000, -0.0002004000000000 ]  - [  -0.0000805100000000, -0.0002259400000000, -0.0002226300000000 ]  - [   0.0001436900000000,  0.0001651600000000, -0.0002268400000000 ]  - [   0.0001195700000000, -0.0001652200000000,  0.0002304100000000 ]  - [  -0.0001556600000000,  0.0001739100000000,  0.0002287400000000 ]  - [  -0.0001764600000000, -0.0002311600000000, -0.0001387500000000 ]  - [   0.0001669300000000, -0.0002312800000000,  0.0001450700000000 ]  - [  -0.0001674900000000,  0.0002291000000000,  0.0001425400000000 ]  - [   0.0001626200000000,  0.0002362200000000, -0.0001475700000000 ]  - [  -0.0002340000000000, -0.0001383900000000, -0.0001585400000000 ]  - [  -0.0002388500000000,  0.0001470000000000,  0.0001868300000000 ]  - [   0.0004068800000000,  0.0004367600000000, -0.0002766100000000 ]  - [   0.0002659100000000, -0.0001162900000000,  0.0001584500000000 ]  - [   0.0001589400000000,  0.0002277900000000,  0.0001758300000000 ]  - [  -0.0001708200000000,  0.0002288300000000, -0.0001421600000000 ]  - [  -0.0001547600000000, -0.0002255900000000,  0.0001699900000000 ]  - [   0.0001962600000000, -0.0002451200000000, -0.0001192900000000 ]  - [   0.0001894900000000,  0.0001439500000000,  0.0002290000000000 ]  - [  -0.0001507900000000, -0.0001527300000000,  0.0002366900000000 ]  - [   0.0010901500000000, -0.0016049500000000, -0.0002373800000000 ]  - [  -0.0033589600000000,  0.0016321200000000, -0.0004046700000000 ]  - [   0.0002455000000000,  0.0002242000000000,  0.0001351500000000 ]  - [   0.0001967600000000, -0.0003259200000000, -0.0002694500000000 ]  - [  -0.0002223500000000,  0.0001685700000000, -0.0001501900000000 ]  - [  -0.0002035900000000, -0.0002022800000000,  0.0002706700000000 ]  - [  -0.0001352600000000, -0.0002300300000000, -0.0001749400000000 ]  - [   0.0001376300000000, -0.0002301100000000,  0.0001675500000000 ]  - [   0.0001379700000000,  0.0002291800000000, -0.0001674300000000 ]  - [  -0.0001485200000000,  0.0002327500000000,  0.0001702900000000 ]  - [  -0.0001902700000000, -0.0001489700000000, -0.0002314000000000 ]  - [   0.0001444500000000,  0.0001527700000000, -0.0002373600000000 ]  - [  -0.0001681800000000,  0.0001044300000000,  0.0002242400000000 ]  - [   0.0001143000000000, -0.0001406100000000,  0.0002208700000000 ]  - [  -0.0001764000000000, -0.0001225900000000, -0.0001116400000000 ]  - [  -0.0002072200000000,  0.0001723400000000,  0.0000586700000000 ]  - [   0.0002315000000000, -0.0001522500000000,  0.0001614400000000 ]  - [   0.0002306600000000,  0.0001721700000000, -0.0001311400000000 ]  - [   0.0001398600000000,  0.0001695100000000,  0.0002292600000000 ]  - [  -0.0001473300000000, -0.0001668300000000,  0.0002305600000000 ]  - [  -0.0001979800000000,  0.0001682400000000, -0.0002071600000000 ]  - [   0.0000942400000000, -0.0001766800000000, -0.0002255500000000 ]  - [   0.0001883100000000,  0.0002146600000000,  0.0001711900000000 ]  - [  -0.0001587400000000,  0.0002045400000000, -0.0007026600000000 ]  - [   0.0001737500000000, -0.0002178000000000, -0.0001522900000000 ]  - [  -0.0001746200000000, -0.0002238000000000,  0.0001387100000000 ]  - [   0.0002204100000000,  0.0001708100000000,  0.0001316600000000 ]  - [   0.0002161000000000, -0.0001389300000000, -0.0001763400000000 ]  - [  -0.0002288600000000, -0.0001525000000000,  0.0001570500000000 ]  - [  -0.0002215800000000,  0.0001383200000000, -0.0002046900000000 ]  - [  -0.0001239400000000, -0.0001445600000000, -0.0002342300000000 ]  - [   0.0001590100000000,  0.0001655900000000, -0.0002324200000000 ]  - [   0.0001054500000000, -0.0001778600000000,  0.0002332500000000 ]  - [  -0.0001261900000000,  0.0001580000000000,  0.0002247200000000 ]  - [  -0.0001434400000000, -0.0003299600000000,  0.0000779200000000 ]  - [  -0.0008309100000000, -0.0009035700000000,  0.0004276200000000 ]  - [  -0.0002358500000000,  0.0001951300000000,  0.0001156300000000 ]  - [   0.0001501500000000,  0.0002234500000000, -0.0001504100000000 ]  - [  -0.0003179000000000,  0.0000781800000000,  0.0000488800000000 ]  - [  -0.0002181000000000,  0.0001507400000000,  0.0002154200000000 ]  - [   0.0002221100000000,  0.0001450100000000, -0.0001686900000000 ]  - [   0.0002169100000000, -0.0001427000000000,  0.0001790400000000 ]  - [   0.0001588500000000,  0.0002334500000000,  0.0001659600000000 ]  - [  -0.0001555200000000,  0.0002342400000000, -0.0001646300000000 ]  - [  -0.0001710900000000, -0.0002543800000000,  0.0002201500000000 ]  - [   0.0001956700000000, -0.0002446100000000, -0.0001870700000000 ]  - [   0.0001339500000000,  0.0001439800000000,  0.0002396700000000 ]  - [  -0.0001905800000000, -0.0001530000000000,  0.0002377900000000 ]  - [   0.0001589700000000, -0.0001439500000000, -0.0002288600000000 ]  - [  -0.0001766200000000,  0.0001442200000000, -0.0002299100000000 ]  - [   0.0002241300000000,  0.0001554900000000,  0.0001350600000000 ]  - [   0.0002330300000000, -0.0001670700000000, -0.0001547900000000 ]  - [  -0.0002509100000000,  0.0001458800000000, -0.0001503200000000 ]  - [  -0.0002409900000000, -0.0001831400000000,  0.0001548000000000 ]  - [  -0.0001945300000000, -0.0002433500000000, -0.0001789700000000 ]  - [   0.0000704500000000, -0.0002695900000000,  0.0000857900000000 ]  - [   0.0000697100000000,  0.0001896500000000,  0.0000188700000000 ]  - [  -0.0000266300000000, -0.0005751300000000,  0.0018762700000000 ]  - [  -0.0001650400000000, -0.0002082900000000, -0.0001916900000000 ]  - [   0.0001831200000000,  0.0001448800000000, -0.0002352200000000 ]  - [  -0.0001572800000000,  0.0001404600000000,  0.0002299300000000 ]  - [   0.0001816800000000, -0.0001045600000000,  0.0002305500000000 ]  - [  -0.0002385500000000, -0.0001631400000000, -0.0001510000000000 ]  - [  -0.0002415200000000,  0.0001791700000000,  0.0001313900000000 ]  - [   0.0001838600000000, -0.0000814800000000,  0.0002846800000000 ]  - [   0.0001425300000000,  0.0003167400000000, -0.0000585100000000 ]  - [   0.0000140400000000, -0.0000610900000000, -0.0002482200000000 ]  - [   0.0015970500000000,  0.0009097900000000, -0.0010369000000000 ]  - [   0.0000075300000000,  0.0000116600000000,  0.0002179500000000 ]  - [  -0.0001215400000000,  0.0001112200000000,  0.0002344100000000 ]  - [  -0.0000840200000000, -0.0002546100000000, -0.0001369900000000 ]  - [   0.0001195000000000, -0.0002712000000000,  0.0000528500000000 ]  - [  -0.0000577000000000,  0.0002783300000000, -0.0000230500000000 ]  - [  -0.0000284000000000,  0.0002796200000000, -0.0000335800000000 ]  - [  -0.0000260300000000,  0.0000892900000000, -0.0001817800000000 ]  - [  -0.0002689700000000,  0.0000796200000000, -0.0000440600000000 ]  - [  -0.0013800700000000, -0.0005973400000000,  0.0003589100000000 ]  - [   0.0003072900000000,  0.0000561800000000,  0.0001368400000000 ]  - [   0.0000080800000000,  0.0000034000000000,  0.0002866600000000 ]  - [   0.0001960000000000, -0.0000338600000000,  0.0002802800000000 ]  - [   0.0000405300000000,  0.0000402700000000, -0.0002512200000000 ]  - [   0.0000628100000000, -0.0000984500000000, -0.0002294400000000 ]  - [  -0.0001190200000000,  0.0001641200000000, -0.0006783800000000 ]  - [  -0.0000552300000000,  0.0002450600000000, -0.0000173100000000 ]  - [   0.0000330100000000, -0.0002472500000000, -0.0000296500000000 ]  - [  -0.0000316400000000, -0.0002598800000000,  0.0000682000000000 ]  - [   0.0005987800000000, -0.0001907100000000, -0.0002034800000000 ]  - [   0.0002387400000000, -0.0000814600000000, -0.0002409000000000 ]  - [   0.0001915300000000, -0.0009923900000000,  0.0007965200000000 ]  - [  -0.0002786100000000, -0.0000827500000000,  0.0000068300000000 ]  - [   0.0000773000000000, -0.0003884700000000, -0.0000739600000000 ]  - [  -0.0002162300000000, -0.0002429300000000,  0.0000551500000000 ]  - [   0.0002401100000000,  0.0001853000000000, -0.0000576000000000 ]  - [  -0.0000513200000000,  0.0002555400000000,  0.0001301500000000 ]  - [  -0.0000893600000000, -0.0000221600000000, -0.0002338100000000 ]  - [   0.0000191800000000,  0.0000482300000000, -0.0002411000000000 ]  - [  -0.0012389200000000,  0.0007155800000000,  0.0002876000000000 ]  - [   0.0000706600000000, -0.0000325500000000,  0.0002505200000000 ]  - [  -0.0002397900000000, -0.0001011900000000, -0.0000292600000000 ]  - [   0.0000021000000000,  0.0002974000000000,  0.0001245800000000 ]  - [   0.0002038800000000, -0.0000542600000000,  0.0000812700000000 ]  - [   0.0003302500000000,  0.0000395500000000,  0.0000138800000000 ]  - [   0.0000328600000000,  0.0002454300000000,  0.0001485000000000 ]  - [  -0.0000193900000000,  0.0002348000000000, -0.0000900900000000 ]  - [  -0.0000684200000000, -0.0002637100000000, -0.0000191700000000 ]  - [  -0.0011278800000000,  0.0006073000000000, -0.0011029500000000 ]  - [   0.0001401400000000,  0.0000708500000000,  0.0002444400000000 ]  - [   0.0000370700000000, -0.0000610400000000,  0.0002462700000000 ]  - [   0.0000490700000000,  0.0000081700000000, -0.0002632100000000 ]  - [  -0.0002675300000000,  0.0000819800000000, -0.0003005100000000 ]  - [   0.0001244400000000,  0.0001334600000000, -0.0000510300000000 ]  - [   0.0001776700000000, -0.0001426700000000, -0.0000785800000000 ]  - [  -0.0001961100000000,  0.0000086000000000, -0.0000832200000000 ]  - [  -0.0005030300000000, -0.0005815500000000, -0.0001172600000000 ]  - [  -0.0277824500000000, -0.0083575100000000, -0.0808877900000000 ]  - [   0.0000451800000000,  0.0000605800000000, -0.0002655500000000 ]  - [   0.0001249000000000, -0.0000434100000000,  0.0001576800000000 ]  - [   0.0000957700000000,  0.0000823100000000,  0.0002536100000000 ]  - [  -0.0000140400000000, -0.0002883100000000, -0.0000547300000000 ]  - [  -0.0002081600000000,  0.0009490600000000, -0.0009597800000000 ]  - [  -0.0002004000000000,  0.0002161400000000, -0.0002822800000000 ]  - [   0.0000904700000000,  0.0002549400000000, -0.0000104300000000 ]  - [  -0.0002831200000000, -0.0000059800000000, -0.0001033800000000 ]  - [  -0.0001821700000000,  0.0000622800000000,  0.0000579800000000 ]  - [   0.0002732500000000,  0.0000355100000000, -0.0000274300000000 ]  - [   0.0002623100000000,  0.0000138000000000,  0.0001113500000000 ]  - [   0.0003179400000000, -0.0000267100000000,  0.0006144600000000 ]  - [  -0.0000739400000000, -0.0000429500000000,  0.0002513300000000 ]  - [  -0.0001816400000000,  0.0000423100000000, -0.0002208400000000 ]  - [   0.0000331100000000, -0.0000551800000000, -0.0001336800000000 ]  - [   0.0000858300000000,  0.0002397200000000,  0.0000070400000000 ]  - [   0.0034249400000000, -0.0002449000000000,  0.0002912600000000 ]  - [   0.0005713300000000, -0.0001962200000000,  0.0000668900000000 ]  - [   0.0000765100000000, -0.0001532900000000,  0.0002396900000000 ]  - [   0.0002306200000000,  0.0000229700000000,  0.0000398300000000 ]  - [   0.0002726100000000, -0.0000645200000000, -0.0001115600000000 ]  - [  -0.0002210500000000, -0.0000489500000000,  0.0000736700000000 ]  - [  -0.0001788000000000,  0.0000247700000000,  0.0000572000000000 ]  - [  -0.0000677700000000, -0.0002478500000000,  0.0000005000000000 ]  - [   0.0000603200000000, -0.0002587100000000,  0.0000287900000000 ]  - [   0.0000536800000000,  0.0002824900000000, -0.0000815900000000 ]  - [   0.0001065900000000, -0.0001324300000000,  0.0002392400000000 ]  - [   0.0002928600000000,  0.0000135700000000, -0.0003010000000000 ]  - [   0.0002567700000000, -0.0001244200000000, -0.0003521800000000 ]  - [  -0.0000288400000000,  0.0000200500000000,  0.0002459300000000 ]  - [   0.0013537600000000, -0.0017976700000000,  0.0016510200000000 ]  - [  -0.0002647900000000,  0.0000557700000000,  0.0000654500000000 ]  - [  -0.0002703100000000,  0.0000258300000000,  0.0000603600000000 ]  - [   0.0003825100000000, -0.0001080000000000,  0.0000345100000000 ]  - [  -0.0001068900000000, -0.0000859500000000,  0.0001200300000000 ]  - [   0.0001789900000000,  0.0002572800000000,  0.0000437800000000 ]  - [   0.0000157100000000,  0.0004055000000000,  0.0000535200000000 ]  - [   0.0001716900000000, -0.0000991300000000, -0.0001274200000000 ]  - [   0.0000648900000000, -0.0002452100000000, -0.0000488900000000 ]  - [   0.0000051600000000, -0.0001861300000000,  0.0005488600000000 ]  - [  -0.0000296100000000,  0.0000077300000000,  0.0003126600000000 ]  - [   0.0000172800000000,  0.0000159600000000, -0.0002358900000000 ]  - [   0.0000143100000000,  0.0000323800000000, -0.0002485900000000 ]  - [   0.0002884000000000,  0.0000498900000000,  0.0000118800000000 ]  - [   0.0003365600000000, -0.0000370800000000, -0.0000466900000000 ]  - [  -0.0006069300000000,  0.0001824000000000, -0.0001604600000000 ]  - [  -0.0002226400000000, -0.0000537500000000,  0.0000130900000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000413200000000,  0.0001420200000000, -0.0000096800000000 ]  - [  -0.0000080000000000,  0.0007109700000000,  0.0000977300000000 ]  - [  -0.0000405800000000,  0.0000615600000000, -0.0000634200000000 ]  - [   0.0005593500000000,  0.0008920300000000, -0.0002041500000000 ]  - [   0.0003162500000000,  0.0003315100000000, -0.0003253500000000 ]  - [   0.0008095700000000,  0.0027423700000000,  0.0034916800000000 ]  - [  -0.0000075700000000,  0.0001351300000000, -0.0000332100000000 ]  - [   0.0000096700000000,  0.0000937100000000, -0.0000039700000000 ]  - [  -0.0015327500000000,  0.0002061300000000,  0.0010573400000000 ]  - [  -0.0000272200000000,  0.0000745100000000, -0.0000565900000000 ]  - [  -0.0000371700000000, -0.0000139300000000,  0.0000660300000000 ]  - [  -0.0003584000000000,  0.0002054600000000, -0.0001934800000000 ]  - [   0.0002890000000000,  0.0000330700000000, -0.0016224600000000 ]  - [   0.0000277600000000, -0.0000664000000000, -0.0000081900000000 ]  - [   0.0001338200000000,  0.0002802900000000,  0.0000467900000000 ]  - [   0.0000097700000000, -0.0000637900000000, -0.0000662400000000 ]  - [   0.0000783600000000, -0.0000192400000000, -0.0001204200000000 ]  - [   0.0000213700000000,  0.0000099900000000,  0.0000398000000000 ]  - [  -0.0000139100000000, -0.0001963000000000,  0.0000255400000000 ]  - [   0.0002900800000000, -0.0012899200000000,  0.0003795800000000 ]  - [  -0.0000187800000000,  0.0000517900000000, -0.0000003200000000 ]  - [  -0.0005028100000000, -0.0002284300000000, -0.0000471600000000 ]  - [  -0.0001169000000000,  0.0000719000000000,  0.0003001600000000 ]  - [  -0.0001537500000000,  0.0000098600000000, -0.0002320200000000 ]  - [  -0.0023077300000000, -0.0014710200000000, -0.0033424400000000 ]  - [   0.0000036800000000,  0.0002382300000000, -0.0000792600000000 ]  - [  -0.0000176900000000,  0.0002228500000000,  0.0000353300000000 ]  - [  -0.0000190900000000,  0.0003844900000000,  0.0000972700000000 ]  - [  -0.0000290300000000, -0.0000452500000000, -0.0000167900000000 ]  - [   0.0007839300000000,  0.0021155500000000,  0.0005835100000000 ]  - [   0.0001443800000000, -0.0000116400000000,  0.0000357500000000 ]  - [  -0.0016869200000000,  0.0015589900000000, -0.0015015000000000 ]  - [  -0.0000192600000000,  0.0001644800000000, -0.0000091300000000 ]  - [   0.0004415800000000, -0.0005351500000000, -0.0000965800000000 ]  - [  -0.0000033500000000, -0.0002478500000000,  0.0000448700000000 ]  - [   0.0000226300000000, -0.0001688800000000, -0.0000152800000000 ]  - [  -0.0001096500000000,  0.0000733600000000,  0.0000680900000000 ]  - [   0.0000246700000000, -0.0000102300000000, -0.0000119600000000 ]  - [  -0.0000057700000000,  0.0000110500000000, -0.0001893700000000 ]  - [   0.0000206100000000,  0.0000077300000000, -0.0000522700000000 ]  - [  -0.0090095800000000, -0.0170448600000000, -0.0641276000000000 ]  - [   0.0005619900000000, -0.0003985500000000,  0.0004790600000000 ]  - [  -0.0001421700000000,  0.0001884500000000, -0.0002298200000000 ]  - [   0.0001392400000000, -0.0001118300000000, -0.0002285000000000 ]  - [   0.0001018700000000,  0.0002499600000000,  0.0001458700000000 ]  - [  -0.0001978700000000,  0.0002424400000000, -0.0001555300000000 ]  - [   0.0001253800000000, -0.0002110900000000, -0.0001078800000000 ]  - [  -0.0002158300000000, -0.0001951800000000,  0.0001321100000000 ]  - [   0.0002355900000000,  0.0001798500000000,  0.0001023600000000 ]  - [   0.0002411800000000, -0.0001697700000000, -0.0002156900000000 ]  - [  -0.0000813900000000, -0.0001511400000000,  0.0002399300000000 ]  - [  -0.0002112100000000,  0.0001378200000000, -0.0001650400000000 ]  - [  -0.0000862900000000, -0.0001681200000000, -0.0002435700000000 ]  - [   0.0001471300000000,  0.0001546600000000, -0.0002371000000000 ]  - [   0.0001482700000000, -0.0001405500000000,  0.0002371900000000 ]  - [  -0.0001379000000000,  0.0002118200000000,  0.0002271500000000 ]  - [  -0.0001646800000000, -0.0002233100000000, -0.0001532700000000 ]  - [   0.0001758200000000, -0.0002245200000000,  0.0001440300000000 ]  - [  -0.0001628200000000,  0.0002345600000000,  0.0001336700000000 ]  - [   0.0001786400000000,  0.0002324500000000, -0.0001255200000000 ]  - [  -0.0002279400000000, -0.0001361200000000, -0.0001646900000000 ]  - [  -0.0002317700000000,  0.0001496800000000,  0.0001783100000000 ]  - [   0.0001480100000000,  0.0011397900000000, -0.0007890100000000 ]  - [   0.0002371400000000, -0.0000765100000000,  0.0001110800000000 ]  - [   0.0001469200000000,  0.0002565500000000,  0.0001690300000000 ]  - [  -0.0000928900000000,  0.0002544200000000, -0.0002144200000000 ]  - [  -0.0001477700000000, -0.0002151200000000,  0.0001730500000000 ]  - [   0.0001246500000000, -0.0002066200000000, -0.0001716500000000 ]  - [   0.0001746100000000,  0.0001784500000000,  0.0002256100000000 ]  - [  -0.0001708400000000, -0.0001220800000000,  0.0002362400000000 ]  - [   0.0023079400000000,  0.0030413000000000,  0.0000571100000000 ]  - [  -0.0023067700000000, -0.0007786800000000, -0.0002971200000000 ]  - [   0.0002388600000000,  0.0001587800000000,  0.0001568000000000 ]  - [   0.0002606200000000, -0.0001911700000000, -0.0001106000000000 ]  - [  -0.0002211200000000,  0.0001752200000000, -0.0001660900000000 ]  - [  -0.0002078800000000, -0.0001906200000000, -0.0000159000000000 ]  - [  -0.0001370600000000, -0.0002091700000000, -0.0001526600000000 ]  - [   0.0001451100000000, -0.0002254400000000,  0.0001676100000000 ]  - [   0.0001453800000000,  0.0002427300000000, -0.0001675300000000 ]  - [  -0.0001424900000000,  0.0002383000000000,  0.0001626700000000 ]  - [  -0.0001582400000000, -0.0001228100000000, -0.0002243100000000 ]  - [   0.0001689700000000,  0.0001680800000000, -0.0002337100000000 ]  - [  -0.0001646100000000,  0.0001307600000000,  0.0002221600000000 ]  - [   0.0001732400000000, -0.0001553200000000,  0.0002230700000000 ]  - [  -0.0002990100000000,  0.0000150600000000, -0.0001899200000000 ]  - [  -0.0002465800000000,  0.0001822700000000, -0.0000029700000000 ]  - [   0.0002263400000000, -0.0001506000000000,  0.0001598300000000 ]  - [   0.0002291200000000,  0.0001686600000000, -0.0001334200000000 ]  - [   0.0001424800000000,  0.0001791400000000,  0.0002272700000000 ]  - [  -0.0001456100000000, -0.0001580200000000,  0.0002302000000000 ]  - [  -0.0001442700000000,  0.0001212700000000, -0.0002342900000000 ]  - [   0.0001367400000000, -0.0001989800000000, -0.0002237700000000 ]  - [   0.0001807400000000,  0.0002082100000000,  0.0001810700000000 ]  - [  -0.0002394600000000,  0.0002035400000000, -0.0005492100000000 ]  - [   0.0001646900000000, -0.0002373800000000, -0.0001120400000000 ]  - [  -0.0001700400000000, -0.0002332900000000,  0.0001359800000000 ]  - [   0.0002249500000000,  0.0001238300000000,  0.0001808500000000 ]  - [   0.0002276200000000, -0.0001375500000000, -0.0001700700000000 ]  - [  -0.0002138100000000, -0.0001015500000000,  0.0001976200000000 ]  - [  -0.0002142100000000,  0.0001258700000000, -0.0001253800000000 ]  - [  -0.0001679000000000, -0.0000910100000000, -0.0002418600000000 ]  - [   0.0001471500000000,  0.0002783400000000, -0.0002308000000000 ]  - [   0.0001349500000000, -0.0001768200000000,  0.0002355800000000 ]  - [  -0.0001542600000000,  0.0001585500000000,  0.0002267800000000 ]  - [  -0.0000217700000000, -0.0002999100000000, -0.0003611100000000 ]  - [   0.0007860100000000, -0.0001963100000000,  0.0000386200000000 ]  - [  -0.0001104400000000,  0.0002292300000000,  0.0001541600000000 ]  - [   0.0002375000000000,  0.0002200100000000, -0.0000969600000000 ]  - [  -0.0003317300000000, -0.0001724000000000, -0.0000223000000000 ]  - [  -0.0002514400000000,  0.0001628400000000,  0.0002377600000000 ]  - [   0.0002333200000000,  0.0001456700000000, -0.0001759000000000 ]  - [   0.0002321200000000, -0.0001452200000000,  0.0001629400000000 ]  - [   0.0001366200000000,  0.0002181200000000,  0.0001685800000000 ]  - [  -0.0001422100000000,  0.0002232600000000, -0.0001733800000000 ]  - [  -0.0001706600000000, -0.0002710600000000,  0.0002143700000000 ]  - [   0.0001930000000000, -0.0002634400000000, -0.0001710900000000 ]  - [   0.0001750200000000,  0.0001223900000000,  0.0002240200000000 ]  - [  -0.0001707900000000, -0.0001620700000000,  0.0002400800000000 ]  - [   0.0001695500000000, -0.0001362600000000, -0.0002306900000000 ]  - [  -0.0001697500000000,  0.0001531200000000, -0.0002312600000000 ]  - [   0.0002673500000000,  0.0001596700000000,  0.0000895000000000 ]  - [   0.0002443600000000, -0.0001560700000000, -0.0001292900000000 ]  - [  -0.0002193900000000,  0.0001755300000000, -0.0001440400000000 ]  - [  -0.0002211200000000, -0.0001557300000000,  0.0001451900000000 ]  - [  -0.0001331300000000, -0.0002514200000000, -0.0001475800000000 ]  - [   0.0003330000000000, -0.0002785300000000,  0.0002094800000000 ]  - [   0.0002265700000000,  0.0001496100000000, -0.0002089000000000 ]  - [   0.0015609300000000,  0.0005003900000000, -0.0024576100000000 ]  - [  -0.0001809700000000, -0.0001472300000000, -0.0002315400000000 ]  - [   0.0001591200000000,  0.0001298800000000, -0.0002271800000000 ]  - [  -0.0001734200000000,  0.0001982600000000,  0.0002363900000000 ]  - [   0.0001645800000000, -0.0001442500000000,  0.0002032500000000 ]  - [  -0.0002316600000000, -0.0001718300000000, -0.0001496300000000 ]  - [  -0.0002359200000000,  0.0001684000000000,  0.0001408600000000 ]  - [   0.0001721800000000, -0.0001105200000000,  0.0002309300000000 ]  - [   0.0001567800000000,  0.0001820000000000, -0.0001405700000000 ]  - [  -0.0000362700000000, -0.0001005200000000, -0.0002426600000000 ]  - [  -0.0012248800000000,  0.0004353400000000,  0.0001487200000000 ]  - [   0.0000117600000000, -0.0002204400000000,  0.0002337600000000 ]  - [  -0.0000639500000000, -0.0000466400000000,  0.0002994900000000 ]  - [  -0.0000822800000000, -0.0002116200000000, -0.0001270700000000 ]  - [   0.0000630800000000, -0.0003468800000000,  0.0000257200000000 ]  - [  -0.0000623900000000,  0.0000353200000000,  0.0000876700000000 ]  - [   0.0001115200000000,  0.0000015800000000, -0.0000885700000000 ]  - [  -0.0003920800000000, -0.0000296700000000,  0.0000282100000000 ]  - [  -0.0002747100000000,  0.0001108800000000,  0.0000896400000000 ]  - [   0.0004399400000000,  0.0000245800000000, -0.0002767200000000 ]  - [   0.0001649500000000, -0.0002790700000000, -0.0001060300000000 ]  - [   0.0000749600000000, -0.0000746000000000,  0.0002987100000000 ]  - [  -0.0000179900000000,  0.0000292900000000,  0.0002480300000000 ]  - [  -0.0000303500000000, -0.0000124100000000, -0.0002672200000000 ]  - [   0.0000052500000000, -0.0002090700000000, -0.0002575200000000 ]  - [  -0.0000061200000000,  0.0006934700000000,  0.0000843900000000 ]  - [  -0.0000559400000000,  0.0001992200000000, -0.0000186700000000 ]  - [   0.0000547200000000, -0.0003134500000000,  0.0000051700000000 ]  - [  -0.0000629300000000, -0.0003288800000000, -0.0000014300000000 ]  - [   0.0003689100000000,  0.0002844900000000, -0.0001593800000000 ]  - [   0.0002826900000000,  0.0000749400000000, -0.0002460900000000 ]  - [   0.0010532000000000, -0.0004882400000000,  0.0012497400000000 ]  - [  -0.0002146000000000, -0.0002038900000000,  0.0000223500000000 ]  - [   0.0001369100000000, -0.0003874000000000, -0.0000778200000000 ]  - [   0.0002951300000000, -0.0007050000000000, -0.0002140800000000 ]  - [   0.0000758700000000,  0.0002242500000000, -0.0000837900000000 ]  - [  -0.0000562400000000,  0.0002819200000000,  0.0001244000000000 ]  - [  -0.0000386900000000, -0.0001257400000000, -0.0002125500000000 ]  - [   0.0000710100000000, -0.0000284800000000, -0.0002473100000000 ]  - [  -0.0014554600000000, -0.0026593600000000, -0.0015775600000000 ]  - [   0.0000500700000000, -0.0000649700000000,  0.0002569700000000 ]  - [  -0.0002585000000000, -0.0000584800000000, -0.0000503700000000 ]  - [  -0.0002723800000000,  0.0001295900000000, -0.0000401100000000 ]  - [   0.0002615500000000, -0.0000907100000000,  0.0001031300000000 ]  - [   0.0002868600000000,  0.0000106900000000,  0.0000384300000000 ]  - [   0.0000311500000000,  0.0002922300000000, -0.0001418100000000 ]  - [  -0.0000564000000000,  0.0002394100000000, -0.0000334400000000 ]  - [  -0.0000590600000000, -0.0002755800000000,  0.0001300100000000 ]  - [  -0.0008033300000000, -0.0028068100000000,  0.0021440100000000 ]  - [  -0.0000765800000000, -0.0000398800000000,  0.0002403700000000 ]  - [  -0.0000537000000000, -0.0001238600000000,  0.0002383100000000 ]  - [   0.0000307800000000,  0.0000037600000000, -0.0002378600000000 ]  - [   0.0000651700000000, -0.0005222500000000, -0.0000810400000000 ]  - [   0.0001664000000000, -0.0006572300000000,  0.0003081100000000 ]  - [   0.0002165400000000, -0.0001040400000000,  0.0003778200000000 ]  - [  -0.0002431200000000, -0.0000100400000000, -0.0000817700000000 ]  - [   0.0000963300000000, -0.0007703000000000, -0.0001830000000000 ]  - [   0.0097997600000000,  0.0136486400000000,  0.0678326300000000 ]  - [   0.0000039900000000,  0.0000036100000000, -0.0002325900000000 ]  - [   0.0000216200000000,  0.0000368600000000,  0.0002600300000000 ]  - [  -0.0000243200000000,  0.0001103800000000,  0.0002378500000000 ]  - [   0.0000336400000000, -0.0004071100000000, -0.0000469800000000 ]  - [  -0.0006288400000000,  0.0005214400000000, -0.0013599500000000 ]  - [   0.0000491400000000,  0.0003522000000000,  0.0001548400000000 ]  - [   0.0000460900000000,  0.0002923700000000, -0.0000053300000000 ]  - [  -0.0003161500000000, -0.0001653200000000,  0.0001356500000000 ]  - [  -0.0002931700000000, -0.0001019000000000,  0.0000721400000000 ]  - [   0.0002082000000000, -0.0000747200000000, -0.0001103100000000 ]  - [   0.0002195300000000,  0.0000255900000000,  0.0000329800000000 ]  - [   0.0001560400000000,  0.0001426100000000,  0.0003693400000000 ]  - [  -0.0000004400000000, -0.0002333700000000,  0.0002327900000000 ]  - [   0.0000097200000000,  0.0001465200000000, -0.0002748500000000 ]  - [   0.0000136500000000,  0.0000518100000000, -0.0002841500000000 ]  - [   0.0000493500000000,  0.0001936700000000,  0.0000402300000000 ]  - [  -0.0001141100000000,  0.0010981800000000, -0.0000202100000000 ]  - [  -0.0000669600000000, -0.0000850700000000, -0.0001515000000000 ]  - [  -0.0001240800000000, -0.0000489000000000,  0.0000229400000000 ]  - [   0.0002784200000000, -0.0000539300000000,  0.0000529000000000 ]  - [   0.0002903600000000, -0.0000967400000000, -0.0001114000000000 ]  - [  -0.0002200900000000, -0.0000759800000000,  0.0000749400000000 ]  - [  -0.0002269500000000,  0.0001105400000000,  0.0000184000000000 ]  - [  -0.0000015500000000, -0.0002321000000000, -0.0000220900000000 ]  - [   0.0000265600000000, -0.0002366100000000,  0.0000482300000000 ]  - [   0.0000927600000000,  0.0003003800000000, -0.0000781900000000 ]  - [   0.0002249100000000,  0.0001241200000000,  0.0002191900000000 ]  - [   0.0000002900000000,  0.0000794900000000, -0.0002548600000000 ]  - [   0.0002323600000000,  0.0001015300000000, -0.0002843100000000 ]  - [  -0.0000568800000000, -0.0000005100000000,  0.0002559000000000 ]  - [   0.0018547500000000,  0.0007288500000000,  0.0012034100000000 ]  - [  -0.0004838100000000, -0.0001026300000000, -0.0005859400000000 ]  - [  -0.0002557300000000,  0.0000053300000000, -0.0000310300000000 ]  - [   0.0002896400000000, -0.0000280900000000,  0.0000169900000000 ]  - [   0.0004042600000000,  0.0002346100000000,  0.0006060800000000 ]  - [  -0.0000144400000000,  0.0002362200000000,  0.0000053100000000 ]  - [  -0.0006327000000000, -0.0000173300000000, -0.0000117900000000 ]  - [  -0.0003418200000000, -0.0002243900000000,  0.0001634700000000 ]  - [   0.0000185900000000, -0.0002596200000000, -0.0000386800000000 ]  - [   0.0000500100000000,  0.0001742200000000,  0.0002427300000000 ]  - [  -0.0000371800000000,  0.0000273200000000,  0.0003032200000000 ]  - [  -0.0000099100000000, -0.0003643500000000, -0.0002870700000000 ]  - [  -0.0000693700000000,  0.0000575500000000, -0.0002226900000000 ]  - [   0.0002343400000000,  0.0000745800000000,  0.0000516700000000 ]  - [   0.0002155000000000, -0.0000885900000000,  0.0000156100000000 ]  - [  -0.0003925400000000,  0.0001674500000000, -0.0002578800000000 ]  - [  -0.0002514200000000, -0.0000385400000000,  0.0000193600000000 ]- atom:   41  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000378400000000, -0.0001409400000000,  0.0000140800000000 ]  - [   0.0000061200000000, -0.0007077700000000, -0.0000972300000000 ]  - [   0.0000412200000000, -0.0000606700000000,  0.0000575700000000 ]  - [  -0.0005548700000000, -0.0008847500000000,  0.0002030900000000 ]  - [  -0.0003167400000000, -0.0003285400000000,  0.0003231900000000 ]  - [  -0.0007993900000000, -0.0027028300000000, -0.0034516900000000 ]  - [   0.0000063800000000, -0.0001352100000000,  0.0000371400000000 ]  - [  -0.0000090700000000, -0.0000928800000000,  0.0000045900000000 ]  - [   0.0015325500000000, -0.0001871800000000, -0.0010555700000000 ]  - [   0.0000269100000000, -0.0000734700000000,  0.0000590900000000 ]  - [   0.0000341900000000,  0.0000100400000000, -0.0000679600000000 ]  - [   0.0003657500000000, -0.0002054300000000,  0.0001919000000000 ]  - [  -0.0002963600000000, -0.0000251600000000,  0.0016194300000000 ]  - [  -0.0000248900000000,  0.0000689400000000,  0.0000115400000000 ]  - [  -0.0001351100000000, -0.0002794800000000, -0.0000489900000000 ]  - [  -0.0000095900000000,  0.0000634400000000,  0.0000652000000000 ]  - [  -0.0000779000000000,  0.0000182000000000,  0.0001175900000000 ]  - [  -0.0000220600000000, -0.0000125300000000, -0.0000384800000000 ]  - [   0.0000100900000000,  0.0001957000000000, -0.0000263300000000 ]  - [  -0.0002875100000000,  0.0012989300000000, -0.0003620000000000 ]  - [   0.0000169100000000, -0.0000508600000000,  0.0000033100000000 ]  - [   0.0005097000000000,  0.0002263600000000,  0.0000493300000000 ]  - [   0.0001149400000000, -0.0000713100000000, -0.0002990600000000 ]  - [   0.0001539800000000, -0.0000085900000000,  0.0002349300000000 ]  - [   0.0023405600000000,  0.0015205700000000,  0.0033143700000000 ]  - [  -0.0000020500000000, -0.0002384500000000,  0.0000773500000000 ]  - [   0.0000155000000000, -0.0002231100000000, -0.0000349100000000 ]  - [   0.0000249500000000, -0.0003795800000000, -0.0000979300000000 ]  - [   0.0000283000000000,  0.0000423500000000,  0.0000208300000000 ]  - [  -0.0007876600000000, -0.0021198800000000, -0.0005849800000000 ]  - [  -0.0001430600000000,  0.0000098400000000, -0.0000351300000000 ]  - [   0.0016637700000000, -0.0015756500000000,  0.0014894400000000 ]  - [   0.0000200900000000, -0.0001644400000000,  0.0000100200000000 ]  - [  -0.0004362400000000,  0.0005323600000000,  0.0000931100000000 ]  - [   0.0000017500000000,  0.0002480700000000, -0.0000388800000000 ]  - [  -0.0000212600000000,  0.0001696900000000,  0.0000154300000000 ]  - [   0.0001100200000000, -0.0000703500000000, -0.0000687700000000 ]  - [  -0.0000244100000000,  0.0000103700000000,  0.0000116900000000 ]  - [   0.0000037000000000, -0.0000091100000000,  0.0001919000000000 ]  - [  -0.0000187000000000, -0.0000060600000000,  0.0000519400000000 ]  - [   0.0100118000000000,  0.0193198200000000,  0.0681484500000000 ]  - [  -0.0008421600000000,  0.0000694700000000, -0.0000134300000000 ]  - [  -0.0001454000000000,  0.0001489500000000, -0.0002288600000000 ]  - [   0.0001475900000000, -0.0002266200000000, -0.0002321700000000 ]  - [   0.0002346800000000,  0.0002074600000000,  0.0001406400000000 ]  - [  -0.0001400900000000,  0.0002184700000000, -0.0001317000000000 ]  - [   0.0002126000000000, -0.0002508100000000, -0.0001795400000000 ]  - [  -0.0001218300000000, -0.0002653400000000,  0.0001548700000000 ]  - [   0.0002254300000000,  0.0001071600000000,  0.0002352500000000 ]  - [   0.0002191400000000, -0.0001180700000000, -0.0001217300000000 ]  - [  -0.0003790000000000, -0.0001326700000000,  0.0000971800000000 ]  - [  -0.0002516000000000,  0.0001479700000000, -0.0001724300000000 ]  - [  -0.0002009200000000, -0.0001702500000000, -0.0002189100000000 ]  - [   0.0001401100000000,  0.0001831500000000, -0.0002243800000000 ]  - [   0.0001395300000000, -0.0001980200000000,  0.0002252800000000 ]  - [  -0.0001489300000000,  0.0001256900000000,  0.0002321800000000 ]  - [  -0.0001729500000000, -0.0002355800000000, -0.0001339400000000 ]  - [   0.0001619100000000, -0.0002367700000000,  0.0001434400000000 ]  - [  -0.0001747900000000,  0.0002252700000000,  0.0001536200000000 ]  - [   0.0001598900000000,  0.0002298000000000, -0.0001613200000000 ]  - [  -0.0002318400000000, -0.0001508300000000, -0.0001727800000000 ]  - [  -0.0002285400000000,  0.0001374000000000,  0.0001595700000000 ]  - [   0.0003154100000000, -0.0008666300000000,  0.0004521100000000 ]  - [   0.0002262700000000, -0.0002110300000000,  0.0002274500000000 ]  - [   0.0001406600000000,  0.0002056500000000,  0.0001689900000000 ]  - [  -0.0001950900000000,  0.0002077400000000, -0.0001237600000000 ]  - [  -0.0001390500000000, -0.0002439800000000,  0.0001643300000000 ]  - [   0.0001616700000000, -0.0002547200000000, -0.0001670200000000 ]  - [   0.0001622500000000,  0.0001089700000000,  0.0002353300000000 ]  - [  -0.0001676400000000, -0.0001648100000000,  0.0002226800000000 ]  - [  -0.0019983600000000, -0.0033339200000000, -0.0005196400000000 ]  - [   0.0019990300000000,  0.0010320100000000, -0.0001651200000000 ]  - [   0.0002209600000000,  0.0001775600000000,  0.0001305600000000 ]  - [   0.0001999700000000, -0.0001486600000000, -0.0001768900000000 ]  - [  -0.0002386300000000,  0.0001618500000000, -0.0001209100000000 ]  - [  -0.0002530500000000, -0.0001482200000000,  0.0003015800000000 ]  - [  -0.0001498900000000, -0.0002471000000000, -0.0001832700000000 ]  - [   0.0001423200000000, -0.0002359900000000,  0.0001706300000000 ]  - [   0.0001419100000000,  0.0002196600000000, -0.0001705500000000 ]  - [  -0.0001450400000000,  0.0002221800000000,  0.0001751800000000 ]  - [  -0.0001792900000000, -0.0001649600000000, -0.0002382700000000 ]  - [   0.0001693500000000,  0.0001192700000000, -0.0002290100000000 ]  - [  -0.0001729900000000,  0.0001565200000000,  0.0002374300000000 ]  - [   0.0001644700000000, -0.0001317800000000,  0.0002367200000000 ]  - [  -0.0001614200000000, -0.0003536900000000, -0.0000976900000000 ]  - [  -0.0002169200000000,  0.0001544500000000,  0.0002921600000000 ]  - [   0.0002323900000000, -0.0001865800000000,  0.0001271200000000 ]  - [   0.0002343800000000,  0.0001696300000000, -0.0001539000000000 ]  - [   0.0001445100000000,  0.0001580700000000,  0.0002319000000000 ]  - [  -0.0001414700000000, -0.0001801100000000,  0.0002312300000000 ]  - [  -0.0001434800000000,  0.0002162400000000, -0.0002256900000000 ]  - [   0.0001510700000000, -0.0001389100000000, -0.0002379000000000 ]  - [   0.0001570800000000,  0.0002536200000000,  0.0001063600000000 ]  - [  -0.0000967100000000,  0.0002548300000000,  0.0002658000000000 ]  - [   0.0001721800000000, -0.0002225900000000, -0.0001750900000000 ]  - [  -0.0001672800000000, -0.0002245600000000,  0.0001510400000000 ]  - [   0.0002370400000000,  0.0001631700000000,  0.0001573200000000 ]  - [   0.0002316600000000, -0.0001496500000000, -0.0001673600000000 ]  - [  -0.0002460300000000, -0.0001857200000000,  0.0001398600000000 ]  - [  -0.0002475700000000,  0.0001615100000000, -0.0002126000000000 ]  - [  -0.0001197300000000, -0.0002469000000000, -0.0002176200000000 ]  - [   0.0001402200000000,  0.0000596500000000, -0.0002318300000000 ]  - [   0.0001521200000000, -0.0001613000000000,  0.0002254200000000 ]  - [  -0.0001329000000000,  0.0001788700000000,  0.0002324700000000 ]  - [  -0.0003169000000000, -0.0001655900000000,  0.0000751800000000 ]  - [  -0.0004551300000000, -0.0002713600000000,  0.0002495500000000 ]  - [  -0.0002267900000000,  0.0002302700000000,  0.0001332100000000 ]  - [   0.0000995700000000,  0.0002387900000000, -0.0001901600000000 ]  - [  -0.0001307600000000, -0.0001176100000000, -0.0003173900000000 ]  - [  -0.0002085600000000,  0.0001243100000000,  0.0000999500000000 ]  - [   0.0002280100000000,  0.0001415900000000, -0.0001621000000000 ]  - [   0.0002284800000000, -0.0001423800000000,  0.0001749100000000 ]  - [   0.0001500800000000,  0.0002378300000000,  0.0001685800000000 ]  - [  -0.0001454200000000,  0.0002384700000000, -0.0001647300000000 ]  - [  -0.0001168500000000, -0.0001907600000000,  0.0001238000000000 ]  - [   0.0000941100000000, -0.0001965600000000, -0.0001664300000000 ]  - [   0.0001626300000000,  0.0001645900000000,  0.0002375700000000 ]  - [  -0.0001676000000000, -0.0001254100000000,  0.0002229900000000 ]  - [   0.0001678000000000, -0.0001509000000000, -0.0002275400000000 ]  - [  -0.0001681000000000,  0.0001341100000000, -0.0002294900000000 ]  - [   0.0001942200000000,  0.0001784200000000,  0.0001985700000000 ]  - [   0.0002182300000000, -0.0001821200000000, -0.0001580400000000 ]  - [  -0.0002405600000000,  0.0001621900000000, -0.0001430900000000 ]  - [  -0.0002382400000000, -0.0001818300000000,  0.0001414500000000 ]  - [  -0.0001537800000000, -0.0002095700000000, -0.0001900800000000 ]  - [  -0.0000460400000000, -0.0001819300000000,  0.0001290000000000 ]  - [   0.0000611000000000,  0.0003126000000000, -0.0001284200000000 ]  - [  -0.0018409700000000, -0.0000593300000000,  0.0027785000000000 ]  - [  -0.0001566200000000, -0.0001403300000000, -0.0002285200000000 ]  - [   0.0001784600000000,  0.0001578000000000, -0.0002337500000000 ]  - [  -0.0001647000000000,  0.0000888800000000,  0.0002247000000000 ]  - [   0.0001728600000000, -0.0001437800000000,  0.0002575000000000 ]  - [  -0.0002284200000000, -0.0001661900000000, -0.0001376500000000 ]  - [  -0.0002259300000000,  0.0001692100000000,  0.0001467700000000 ]  - [   0.0002888000000000, -0.0002277500000000,  0.0000560000000000 ]  - [   0.0003032300000000,  0.0001542800000000, -0.0001469000000000 ]  - [  -0.0000195100000000, -0.0000054200000000, -0.0002534700000000 ]  - [   0.0012698900000000, -0.0003412300000000, -0.0006486700000000 ]  - [   0.0000461600000000,  0.0001145400000000,  0.0002613200000000 ]  - [   0.0000104400000000,  0.0001408600000000,  0.0002004600000000 ]  - [  -0.0000241200000000, -0.0002909600000000,  0.0000701400000000 ]  - [   0.0000428800000000, -0.0001528000000000,  0.0000312300000000 ]  - [  -0.0000436900000000,  0.0004650000000000, -0.0000304300000000 ]  - [  -0.0000044000000000,  0.0005017000000000,  0.0000345200000000 ]  - [  -0.0001146500000000, -0.0000285600000000, -0.0001343300000000 ]  - [  -0.0002228900000000, -0.0000544300000000,  0.0000158700000000 ]  - [   0.0000740700000000,  0.0000448000000000,  0.0001723300000000 ]  - [   0.0003350200000000,  0.0002207400000000,  0.0002135100000000 ]  - [  -0.0000196100000000,  0.0001809600000000,  0.0002000200000000 ]  - [  -0.0000385300000000, -0.0001370400000000,  0.0002530200000000 ]  - [  -0.0000260300000000,  0.0001195400000000, -0.0002312200000000 ]  - [   0.0000482800000000,  0.0001029300000000, -0.0002459400000000 ]  - [   0.0001151000000000, -0.0001954600000000, -0.0000372000000000 ]  - [  -0.0000496100000000,  0.0003006000000000, -0.0000363800000000 ]  - [   0.0000515000000000, -0.0001881100000000, -0.0000614500000000 ]  - [  -0.0000462900000000, -0.0001723800000000,  0.0000541800000000 ]  - [   0.0001294100000000, -0.0002270800000000,  0.0002663200000000 ]  - [   0.0002185800000000, -0.0001332600000000,  0.0001408500000000 ]  - [  -0.0015750400000000,  0.0004421600000000, -0.0011396300000000 ]  - [  -0.0002917700000000,  0.0002596000000000, -0.0001301800000000 ]  - [  -0.0001933800000000, -0.0001174900000000, -0.0000267500000000 ]  - [  -0.0002397200000000,  0.0002039600000000,  0.0003224600000000 ]  - [  -0.0000207700000000,  0.0002798100000000, -0.0000230000000000 ]  - [  -0.0000002200000000,  0.0002138800000000, -0.0000210000000000 ]  - [  -0.0000665200000000,  0.0000699500000000, -0.0002903600000000 ]  - [   0.0000365700000000,  0.0000837700000000, -0.0002481700000000 ]  - [   0.0013595900000000,  0.0027004700000000,  0.0020741500000000 ]  - [   0.0000552700000000,  0.0000095400000000,  0.0002377700000000 ]  - [  -0.0002399400000000, -0.0000452800000000, -0.0000058700000000 ]  - [  -0.0002296900000000, -0.0000215400000000,  0.0000957700000000 ]  - [   0.0002346200000000, -0.0000145400000000, -0.0000480300000000 ]  - [   0.0002114400000000,  0.0000948300000000, -0.0000971600000000 ]  - [   0.0000230600000000,  0.0002015800000000,  0.0002406000000000 ]  - [  -0.0000009600000000,  0.0002610000000000, -0.0000733500000000 ]  - [   0.0000051900000000, -0.0002282100000000, -0.0000239400000000 ]  - [   0.0008536300000000,  0.0022902800000000, -0.0022187500000000 ]  - [   0.0001810600000000,  0.0000972900000000,  0.0002644900000000 ]  - [  -0.0000535700000000,  0.0000681100000000,  0.0002660600000000 ]  - [   0.0000750500000000, -0.0000587800000000, -0.0002577600000000 ]  - [  -0.0001702400000000,  0.0005760900000000, -0.0004148000000000 ]  - [   0.0003379200000000,  0.0007640800000000, -0.0002514200000000 ]  - [   0.0002914200000000, -0.0000018900000000, -0.0004383200000000 ]  - [  -0.0002582800000000,  0.0001164000000000,  0.0000279300000000 ]  - [  -0.0005869800000000,  0.0006630800000000,  0.0002446900000000 ]  - [  -0.0106135800000000, -0.0156994500000000, -0.0719053100000000 ]  - [   0.0000511300000000,  0.0001041100000000, -0.0002710900000000 ]  - [   0.0000345400000000, -0.0001433900000000,  0.0002389700000000 ]  - [  -0.0000309800000000, -0.0000050600000000,  0.0002600000000000 ]  - [  -0.0001381600000000, -0.0000872700000000, -0.0000092700000000 ]  - [   0.0007321300000000, -0.0010394700000000,  0.0014082000000000 ]  - [  -0.0001557200000000,  0.0001457800000000, -0.0000986900000000 ]  - [   0.0000604500000000,  0.0002018300000000, -0.0000493200000000 ]  - [  -0.0001838600000000,  0.0001108300000000, -0.0002401400000000 ]  - [  -0.0002023800000000,  0.0001574200000000,  0.0000331800000000 ]  - [   0.0002931200000000,  0.0001306500000000,  0.0000050900000000 ]  - [   0.0002805400000000, -0.0000828700000000,  0.0000732800000000 ]  - [  -0.0001023600000000, -0.0000399100000000,  0.0001367800000000 ]  - [  -0.0000551300000000,  0.0001266000000000,  0.0002668300000000 ]  - [  -0.0000656600000000, -0.0000420100000000, -0.0002251300000000 ]  - [   0.0000416800000000, -0.0001574200000000, -0.0002149800000000 ]  - [   0.0000562300000000,  0.0003000200000000,  0.0000140800000000 ]  - [   0.0000414700000000, -0.0006018100000000, -0.0000339400000000 ]  - [   0.0001716200000000, -0.0004168600000000,  0.0000948900000000 ]  - [   0.0000159300000000, -0.0004472200000000,  0.0000321300000000 ]  - [   0.0002238700000000,  0.0001088700000000,  0.0000531800000000 ]  - [   0.0002047900000000,  0.0000422700000000,  0.0000043200000000 ]  - [  -0.0002772800000000,  0.0000215600000000,  0.0000324900000000 ]  - [  -0.0002710700000000, -0.0000548200000000, -0.0001239600000000 ]  - [  -0.0000514100000000, -0.0002588300000000, -0.0000847000000000 ]  - [   0.0000287900000000, -0.0002599200000000,  0.0000577200000000 ]  - [  -0.0000372100000000,  0.0002015900000000, -0.0000293500000000 ]  - [  -0.0002807600000000,  0.0003799300000000, -0.0001135300000000 ]  - [  -0.0001071200000000, -0.0001354100000000, -0.0002474500000000 ]  - [  -0.0001253100000000, -0.0000484200000000, -0.0002214500000000 ]  - [  -0.0000496500000000,  0.0000565800000000,  0.0002396100000000 ]  - [  -0.0017689400000000, -0.0007514500000000, -0.0007165700000000 ]  - [  -0.0000167200000000, -0.0000046300000000,  0.0005330100000000 ]  - [  -0.0002504200000000,  0.0001005400000000,  0.0000877200000000 ]  - [   0.0002089700000000, -0.0000806200000000,  0.0000380300000000 ]  - [   0.0000963100000000, -0.0001254000000000, -0.0006615200000000 ]  - [   0.0000699400000000,  0.0002676200000000,  0.0001019200000000 ]  - [   0.0005778800000000,  0.0005194400000000, -0.0000960600000000 ]  - [   0.0002848000000000, -0.0002745600000000, -0.0000557700000000 ]  - [   0.0000356900000000, -0.0002380300000000, -0.0000666200000000 ]  - [   0.0000567600000000, -0.0001207800000000,  0.0002608300000000 ]  - [  -0.0000705400000000, -0.0000812300000000,  0.0001932800000000 ]  - [   0.0001162700000000,  0.0003089000000000, -0.0002136500000000 ]  - [  -0.0000377700000000, -0.0000042800000000, -0.0002770700000000 ]  - [   0.0002613100000000,  0.0000320200000000,  0.0000037800000000 ]  - [   0.0002865000000000, -0.0000160500000000, -0.0000701300000000 ]  - [  -0.0000992300000000, -0.0000592500000000,  0.0001959500000000 ]  - [  -0.0002470300000000, -0.0000691200000000,  0.0000374000000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000045800000000, -0.0000167200000000, -0.0000083600000000 ]  - [  -0.0000061400000000, -0.0000056000000000, -0.0001337000000000 ]  - [  -0.0000632000000000, -0.0000495800000000,  0.0001714100000000 ]  - [  -0.0001384300000000, -0.0001600200000000, -0.0000437700000000 ]  - [  -0.0000664200000000, -0.0003218900000000, -0.0000553300000000 ]  - [   0.0002045600000000,  0.0009846800000000,  0.0005124400000000 ]  - [  -0.0000036300000000, -0.0000033600000000,  0.0000846000000000 ]  - [   0.0000187000000000, -0.0000109700000000,  0.0000211800000000 ]  - [  -0.0005490500000000,  0.0003599200000000, -0.0003977900000000 ]  - [  -0.0000004100000000, -0.0000125400000000,  0.0000891700000000 ]  - [   0.0000008000000000,  0.0000460700000000, -0.0000327200000000 ]  - [   0.0002422600000000, -0.0001864200000000,  0.0000535400000000 ]  - [   0.0002773600000000,  0.0002421400000000,  0.0018721100000000 ]  - [  -0.0000136900000000,  0.0000069900000000,  0.0000924900000000 ]  - [   0.0000549600000000,  0.0000131400000000, -0.0000501700000000 ]  - [   0.0000253800000000, -0.0000008000000000,  0.0001309500000000 ]  - [  -0.0000518200000000, -0.0000374900000000,  0.0000496700000000 ]  - [   0.0000298900000000,  0.0000128600000000,  0.0000243000000000 ]  - [   0.0000868600000000,  0.0000309600000000, -0.0001102400000000 ]  - [   0.0003217600000000,  0.0001888800000000,  0.0009187900000000 ]  - [   0.0000006400000000,  0.0000052700000000,  0.0000496600000000 ]  - [   0.0003656900000000,  0.0000467700000000, -0.0000991300000000 ]  - [  -0.0000497800000000,  0.0000689300000000,  0.0001117500000000 ]  - [   0.0000682300000000, -0.0000556400000000,  0.0001397300000000 ]  - [   0.0009243100000000,  0.0007271400000000,  0.0026252100000000 ]  - [  -0.0000317600000000, -0.0000174900000000,  0.0000652100000000 ]  - [   0.0000003900000000, -0.0000245200000000, -0.0000407800000000 ]  - [   0.0000224100000000, -0.0000137100000000, -0.0000690800000000 ]  - [  -0.0000085200000000, -0.0000028200000000,  0.0001694300000000 ]  - [   0.0002678700000000,  0.0007626800000000,  0.0000048200000000 ]  - [   0.0000046400000000,  0.0000093200000000, -0.0000961200000000 ]  - [   0.0001311500000000, -0.0009058900000000, -0.0000111800000000 ]  - [   0.0000337400000000, -0.0000143900000000,  0.0000460100000000 ]  - [  -0.0005547100000000,  0.0002610600000000,  0.0001129400000000 ]  - [  -0.0001701700000000,  0.0000792000000000,  0.0003052700000000 ]  - [   0.0001021300000000,  0.0000178100000000,  0.0001054500000000 ]  - [   0.0000215900000000, -0.0000125500000000, -0.0000976700000000 ]  - [   0.0000225100000000,  0.0000194700000000,  0.0000886500000000 ]  - [  -0.0000413800000000,  0.0000127400000000,  0.0002399100000000 ]  - [   0.0000069800000000, -0.0000112400000000,  0.0000925600000000 ]  - [  -0.0915228300000000, -0.0691310600000000, -0.4645209300000000 ]  - [  -0.0006650800000000, -0.0004143600000000, -0.0002804400000000 ]  - [  -0.0001481000000000,  0.0001693300000000, -0.0002255600000000 ]  - [   0.0001389500000000, -0.0001666800000000, -0.0002248900000000 ]  - [   0.0001736600000000,  0.0002246100000000,  0.0001255800000000 ]  - [  -0.0001533600000000,  0.0002247600000000, -0.0001436200000000 ]  - [   0.0001525800000000, -0.0002265300000000, -0.0001540900000000 ]  - [  -0.0001792500000000, -0.0002310500000000,  0.0001201300000000 ]  - [   0.0002259100000000,  0.0001259900000000,  0.0001902800000000 ]  - [   0.0002340600000000, -0.0001535800000000, -0.0001335400000000 ]  - [  -0.0003593900000000, -0.0001668200000000,  0.0001428100000000 ]  - [  -0.0002243400000000,  0.0001550400000000, -0.0001757800000000 ]  - [  -0.0001500600000000, -0.0001808200000000, -0.0001971800000000 ]  - [   0.0001464500000000,  0.0001748900000000, -0.0002185400000000 ]  - [   0.0001465800000000, -0.0001760700000000,  0.0002281800000000 ]  - [  -0.0001434500000000,  0.0001652600000000,  0.0002194200000000 ]  - [  -0.0001672800000000, -0.0002349400000000, -0.0001385400000000 ]  - [   0.0001720400000000, -0.0002332800000000,  0.0001530400000000 ]  - [  -0.0001703200000000,  0.0002299700000000,  0.0001573900000000 ]  - [   0.0001701600000000,  0.0002358900000000, -0.0001348300000000 ]  - [  -0.0002309200000000, -0.0001434700000000, -0.0001622600000000 ]  - [  -0.0002340700000000,  0.0001390700000000,  0.0001700500000000 ]  - [   0.0002334000000000, -0.0005375000000000, -0.0001318900000000 ]  - [   0.0002089800000000, -0.0001775000000000,  0.0001683700000000 ]  - [   0.0001391000000000,  0.0002306100000000,  0.0001596400000000 ]  - [  -0.0001202400000000,  0.0002279400000000, -0.0002085900000000 ]  - [  -0.0001409500000000, -0.0002291200000000,  0.0001608100000000 ]  - [   0.0001297500000000, -0.0002260500000000, -0.0002020000000000 ]  - [   0.0001617000000000,  0.0001336400000000,  0.0002289600000000 ]  - [  -0.0001775700000000, -0.0001371500000000,  0.0002297800000000 ]  - [   0.0002378900000000,  0.0000382000000000, -0.0016146300000000 ]  - [   0.0001303100000000,  0.0001326400000000, -0.0016116500000000 ]  - [   0.0002474900000000,  0.0002050600000000,  0.0001504100000000 ]  - [   0.0002387600000000, -0.0001465100000000, -0.0001702300000000 ]  - [  -0.0002345000000000,  0.0001587500000000, -0.0001228300000000 ]  - [  -0.0002422400000000, -0.0001991200000000,  0.0001771400000000 ]  - [  -0.0001432100000000, -0.0002261900000000, -0.0001496200000000 ]  - [   0.0001449800000000, -0.0002281000000000,  0.0001807400000000 ]  - [   0.0001443100000000,  0.0002270600000000, -0.0001633900000000 ]  - [  -0.0001422400000000,  0.0002283200000000,  0.0001773200000000 ]  - [  -0.0001623400000000, -0.0001430100000000, -0.0002373300000000 ]  - [   0.0001709200000000,  0.0001375100000000, -0.0002354200000000 ]  - [  -0.0001424700000000,  0.0001444400000000,  0.0002445300000000 ]  - [   0.0001742300000000, -0.0001442300000000,  0.0002377200000000 ]  - [  -0.0002701600000000, -0.0002375400000000, -0.0001967700000000 ]  - [  -0.0002236000000000,  0.0000958600000000,  0.0002316300000000 ]  - [   0.0002200200000000, -0.0001651600000000,  0.0001398300000000 ]  - [   0.0002290500000000,  0.0001741000000000, -0.0001332900000000 ]  - [   0.0001438900000000,  0.0001661300000000,  0.0002337000000000 ]  - [  -0.0001427900000000, -0.0001683200000000,  0.0002343700000000 ]  - [  -0.0001664700000000,  0.0001727100000000, -0.0002420700000000 ]  - [   0.0001519600000000, -0.0001628400000000, -0.0002410600000000 ]  - [   0.0001624400000000,  0.0002393100000000,  0.0001532600000000 ]  - [  -0.0000199600000000,  0.0003590400000000,  0.0001197100000000 ]  - [   0.0001482800000000, -0.0002257400000000, -0.0001484000000000 ]  - [  -0.0001667300000000, -0.0002297900000000,  0.0001580600000000 ]  - [   0.0002388600000000,  0.0001591000000000,  0.0001460300000000 ]  - [   0.0002323700000000, -0.0001489900000000, -0.0001730400000000 ]  - [  -0.0002228000000000, -0.0001311000000000,  0.0001804700000000 ]  - [  -0.0002253800000000,  0.0001503600000000, -0.0001495100000000 ]  - [  -0.0001386700000000, -0.0001810100000000, -0.0002263300000000 ]  - [   0.0001428800000000,  0.0001684700000000, -0.0002294200000000 ]  - [   0.0001413500000000, -0.0001740900000000,  0.0002357200000000 ]  - [  -0.0001480200000000,  0.0001655600000000,  0.0002364200000000 ]  - [  -0.0002696200000000, -0.0002872800000000, -0.0000571000000000 ]  - [   0.0000804500000000, -0.0002303500000000, -0.0000326800000000 ]  - [  -0.0001741000000000,  0.0002070800000000,  0.0001093000000000 ]  - [   0.0001902600000000,  0.0002308400000000, -0.0001564700000000 ]  - [  -0.0002877600000000, -0.0000458500000000, -0.0002357700000000 ]  - [  -0.0002317400000000,  0.0001513300000000,  0.0001598400000000 ]  - [   0.0002341500000000,  0.0001437000000000, -0.0001631300000000 ]  - [   0.0002326600000000, -0.0001439900000000,  0.0001736900000000 ]  - [   0.0001467700000000,  0.0002296600000000,  0.0001944300000000 ]  - [  -0.0001462900000000,  0.0002356500000000, -0.0001546300000000 ]  - [  -0.0001459500000000, -0.0002259000000000,  0.0001919000000000 ]  - [   0.0001300700000000, -0.0002254600000000, -0.0001451100000000 ]  - [   0.0001636600000000,  0.0001438700000000,  0.0002298900000000 ]  - [  -0.0001759500000000, -0.0001374000000000,  0.0002289100000000 ]  - [   0.0001694500000000, -0.0001451200000000, -0.0002252100000000 ]  - [  -0.0001710900000000,  0.0001441400000000, -0.0002289000000000 ]  - [   0.0002483900000000,  0.0001777000000000,  0.0001287300000000 ]  - [   0.0002347700000000, -0.0001603100000000, -0.0001305700000000 ]  - [  -0.0002326100000000,  0.0001600500000000, -0.0001525500000000 ]  - [  -0.0002338700000000, -0.0001814600000000,  0.0001404200000000 ]  - [  -0.0001296500000000, -0.0002286800000000, -0.0001890200000000 ]  - [   0.0001858500000000, -0.0002459700000000,  0.0000875000000000 ]  - [   0.0001040200000000,  0.0002493900000000, -0.0002165300000000 ]  - [  -0.0009438200000000, -0.0002593100000000,  0.0004593200000000 ]  - [  -0.0001698800000000, -0.0001801700000000, -0.0002049700000000 ]  - [   0.0001659900000000,  0.0001416800000000, -0.0002195000000000 ]  - [  -0.0001621200000000,  0.0001519700000000,  0.0002371100000000 ]  - [   0.0001613300000000, -0.0001504200000000,  0.0002444200000000 ]  - [  -0.0002277700000000, -0.0001708300000000, -0.0001362600000000 ]  - [  -0.0002262600000000,  0.0001663400000000,  0.0001462700000000 ]  - [   0.0002132200000000, -0.0001110000000000,  0.0001933900000000 ]  - [   0.0002216700000000,  0.0001840300000000, -0.0001679600000000 ]  - [  -0.0000386400000000, -0.0000460900000000, -0.0002611000000000 ]  - [   0.0014844200000000,  0.0005323800000000, -0.0005235900000000 ]  - [   0.0000316600000000, -0.0000031000000000,  0.0002663300000000 ]  - [   0.0000034400000000, -0.0000922800000000,  0.0002750700000000 ]  - [  -0.0000198300000000, -0.0002491700000000, -0.0000917300000000 ]  - [   0.0000308200000000, -0.0002376900000000,  0.0000310000000000 ]  - [  -0.0000232600000000,  0.0002740800000000,  0.0000217200000000 ]  - [   0.0000762200000000,  0.0002649900000000,  0.0000614900000000 ]  - [  -0.0001324400000000,  0.0000524800000000, -0.0001257300000000 ]  - [  -0.0002195700000000,  0.0000857400000000, -0.0000786200000000 ]  - [  -0.0000665500000000, -0.0006071200000000, -0.0006023500000000 ]  - [   0.0002190400000000, -0.0000794700000000,  0.0001558100000000 ]  - [   0.0000128000000000,  0.0000825600000000,  0.0002139000000000 ]  - [  -0.0000291000000000, -0.0000844300000000,  0.0002468300000000 ]  - [  -0.0000384800000000,  0.0000538500000000, -0.0002339800000000 ]  - [   0.0000192700000000, -0.0000113800000000, -0.0002288800000000 ]  - [   0.0003956100000000,  0.0001082000000000, -0.0004531900000000 ]  - [  -0.0000549400000000,  0.0002534200000000, -0.0000646300000000 ]  - [   0.0000550100000000, -0.0002439600000000, -0.0000806200000000 ]  - [  -0.0000662300000000, -0.0002475200000000, -0.0000028600000000 ]  - [   0.0002847400000000, -0.0001498700000000,  0.0002130400000000 ]  - [   0.0002991400000000, -0.0000966700000000, -0.0000440100000000 ]  - [  -0.0010081400000000,  0.0011604800000000,  0.0002024200000000 ]  - [  -0.0002572800000000,  0.0001339800000000, -0.0000844900000000 ]  - [  -0.0000330900000000, -0.0002495300000000,  0.0000492500000000 ]  - [   0.0001635800000000, -0.0003859900000000,  0.0000345500000000 ]  - [  -0.0000119000000000,  0.0002683200000000, -0.0000015200000000 ]  - [  -0.0000292500000000,  0.0002542500000000, -0.0000223100000000 ]  - [  -0.0000480000000000,  0.0000066700000000, -0.0003007000000000 ]  - [   0.0000664100000000,  0.0000093700000000, -0.0002853300000000 ]  - [  -0.0004938000000000, -0.0017477700000000,  0.0002634400000000 ]  - [   0.0000529600000000, -0.0000200400000000,  0.0002201900000000 ]  - [  -0.0002809800000000, -0.0000808000000000, -0.0000562500000000 ]  - [  -0.0002832200000000,  0.0000052500000000,  0.0001054800000000 ]  - [   0.0002527200000000, -0.0000369900000000, -0.0000538700000000 ]  - [   0.0002154000000000,  0.0000762500000000, -0.0000767200000000 ]  - [   0.0000498100000000,  0.0002587300000000, -0.0000600100000000 ]  - [  -0.0000269700000000,  0.0002469500000000, -0.0001053500000000 ]  - [  -0.0000136100000000, -0.0002396300000000, -0.0000024600000000 ]  - [   0.0002543700000000, -0.0002811100000000,  0.0005396900000000 ]  - [   0.0000708500000000,  0.0000323700000000,  0.0002858300000000 ]  - [  -0.0000688900000000, -0.0000079200000000,  0.0002770400000000 ]  - [   0.0000233200000000, -0.0000327900000000, -0.0003165200000000 ]  - [  -0.0000571300000000,  0.0001413300000000, -0.0002360500000000 ]  - [   0.0002815300000000, -0.0000123000000000,  0.0003338300000000 ]  - [   0.0003305600000000,  0.0000746700000000, -0.0003158800000000 ]  - [  -0.0002432900000000,  0.0000581900000000, -0.0000052500000000 ]  - [  -0.0002014100000000, -0.0000814500000000,  0.0003551900000000 ]  - [   0.0926643900000000,  0.0692539200000000,  0.4615552700000000 ]  - [   0.0000411600000000,  0.0000584200000000, -0.0002685600000000 ]  - [   0.0001300400000000, -0.0000399500000000,  0.0002066600000000 ]  - [  -0.0000577300000000,  0.0000342400000000,  0.0002336900000000 ]  - [  -0.0000653000000000, -0.0002338000000000,  0.0000229100000000 ]  - [   0.0003790800000000, -0.0007411300000000, -0.0006325100000000 ]  - [  -0.0000818100000000,  0.0002377900000000, -0.0001361800000000 ]  - [   0.0000344900000000,  0.0002402900000000, -0.0000929700000000 ]  - [  -0.0002179900000000,  0.0000134700000000, -0.0000919400000000 ]  - [  -0.0002366200000000,  0.0000620700000000,  0.0000892900000000 ]  - [   0.0002250600000000,  0.0000171200000000, -0.0000634500000000 ]  - [   0.0002215800000000, -0.0000526800000000, -0.0000054000000000 ]  - [  -0.0000242600000000,  0.0000372300000000,  0.0002276100000000 ]  - [  -0.0000194200000000, -0.0000653100000000,  0.0002162400000000 ]  - [  -0.0000008400000000,  0.0000071200000000, -0.0003702500000000 ]  - [  -0.0000409500000000, -0.0000333200000000, -0.0003448900000000 ]  - [   0.0000458900000000,  0.0002553300000000,  0.0000162700000000 ]  - [  -0.0004789800000000,  0.0002234200000000,  0.0010555500000000 ]  - [   0.0001484400000000, -0.0002969300000000,  0.0001671800000000 ]  - [  -0.0001826700000000, -0.0002825900000000, -0.0000065600000000 ]  - [   0.0002660400000000,  0.0000178300000000,  0.0000110900000000 ]  - [   0.0002470900000000, -0.0000447400000000, -0.0000463300000000 ]  - [  -0.0002703600000000, -0.0000124300000000,  0.0000210900000000 ]  - [  -0.0002822800000000,  0.0000311000000000, -0.0000863600000000 ]  - [  -0.0000193900000000, -0.0002440800000000, -0.0001295700000000 ]  - [   0.0000224400000000, -0.0002603000000000,  0.0000245500000000 ]  - [   0.0000186200000000,  0.0002368300000000, -0.0001454100000000 ]  - [  -0.0001259600000000,  0.0003956800000000,  0.0000165700000000 ]  - [  -0.0001294500000000, -0.0000543400000000, -0.0002073000000000 ]  - [   0.0000843800000000,  0.0000347600000000, -0.0001973000000000 ]  - [  -0.0000590200000000,  0.0000291300000000,  0.0002204300000000 ]  - [  -0.0013513000000000,  0.0007522700000000,  0.0003333600000000 ]  - [  -0.0003171100000000, -0.0001546300000000, -0.0001633600000000 ]  - [  -0.0002540700000000,  0.0000297500000000, -0.0000339800000000 ]  - [   0.0002254400000000, -0.0000334200000000,  0.0000925700000000 ]  - [   0.0002260600000000,  0.0001745800000000, -0.0002125300000000 ]  - [  -0.0000079200000000,  0.0002480200000000,  0.0000845200000000 ]  - [  -0.0002651800000000,  0.0002256200000000,  0.0001403400000000 ]  - [   0.0000582500000000, -0.0002508800000000,  0.0000971500000000 ]  - [   0.0000206200000000, -0.0002418200000000, -0.0000899000000000 ]  - [   0.0000619800000000, -0.0000450500000000,  0.0002975100000000 ]  - [  -0.0000715100000000, -0.0000265400000000,  0.0001844900000000 ]  - [   0.0000205800000000, -0.0000714400000000, -0.0002126400000000 ]  - [  -0.0000547500000000,  0.0000262300000000, -0.0002973300000000 ]  - [   0.0002461400000000,  0.0000580400000000, -0.0000171200000000 ]  - [   0.0002530800000000, -0.0000432300000000, -0.0000246200000000 ]  - [  -0.0002987000000000, -0.0000188600000000, -0.0002949100000000 ]  - [  -0.0002448500000000, -0.0000644600000000, -0.0000149100000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000065800000000,  0.0000178000000000,  0.0000141800000000 ]  - [   0.0000088300000000,  0.0000042000000000,  0.0001371100000000 ]  - [   0.0000641300000000,  0.0000504600000000, -0.0001802900000000 ]  - [   0.0001385600000000,  0.0001609500000000,  0.0000509700000000 ]  - [   0.0000676300000000,  0.0003214600000000,  0.0000564400000000 ]  - [  -0.0002043000000000, -0.0010260100000000, -0.0005342200000000 ]  - [   0.0000027700000000,  0.0000038200000000, -0.0000827000000000 ]  - [  -0.0000210300000000,  0.0000112600000000, -0.0000216600000000 ]  - [   0.0005532300000000, -0.0003530700000000,  0.0004085800000000 ]  - [  -0.0000018900000000,  0.0000107000000000, -0.0000892900000000 ]  - [  -0.0000055100000000, -0.0000488300000000,  0.0000298100000000 ]  - [  -0.0002426800000000,  0.0001870100000000, -0.0000553300000000 ]  - [  -0.0002733800000000, -0.0002359000000000, -0.0018614200000000 ]  - [   0.0000142000000000, -0.0000066900000000, -0.0000908100000000 ]  - [  -0.0000570800000000, -0.0000130500000000,  0.0000471100000000 ]  - [  -0.0000256200000000, -0.0000012500000000, -0.0001309400000000 ]  - [   0.0000514500000000,  0.0000396000000000, -0.0000523900000000 ]  - [  -0.0000308900000000, -0.0000171100000000, -0.0000210300000000 ]  - [  -0.0000914400000000, -0.0000328000000000,  0.0001116600000000 ]  - [  -0.0003237200000000, -0.0001867200000000, -0.0009282000000000 ]  - [  -0.0000018600000000, -0.0000033700000000, -0.0000473500000000 ]  - [  -0.0003723000000000, -0.0000457800000000,  0.0000991900000000 ]  - [   0.0000488500000000, -0.0000694200000000, -0.0001143700000000 ]  - [  -0.0000682700000000,  0.0000582700000000, -0.0001374800000000 ]  - [  -0.0009980800000000, -0.0006854200000000, -0.0026764200000000 ]  - [   0.0000328800000000,  0.0000157100000000, -0.0000660600000000 ]  - [  -0.0000028700000000,  0.0000223500000000,  0.0000429300000000 ]  - [  -0.0000223600000000,  0.0000112000000000,  0.0000697900000000 ]  - [   0.0000109200000000,  0.0000006700000000, -0.0001733900000000 ]  - [  -0.0002731600000000, -0.0007796400000000, -0.0000097700000000 ]  - [  -0.0000082500000000, -0.0000075000000000,  0.0000968300000000 ]  - [  -0.0001182500000000,  0.0009130000000000,  0.0000180300000000 ]  - [  -0.0000330600000000,  0.0000136700000000, -0.0000462600000000 ]  - [   0.0005533200000000, -0.0002615200000000, -0.0001105400000000 ]  - [   0.0001714100000000, -0.0000806000000000, -0.0003074700000000 ]  - [  -0.0001034400000000, -0.0000174000000000, -0.0001080100000000 ]  - [  -0.0000232100000000,  0.0000135100000000,  0.0000983300000000 ]  - [  -0.0000236900000000, -0.0000191400000000, -0.0000898400000000 ]  - [   0.0000414500000000, -0.0000126200000000, -0.0002406200000000 ]  - [  -0.0000069400000000,  0.0000119800000000, -0.0000927000000000 ]  - [   0.0839146200000000,  0.0633861200000000,  0.4337206800000000 ]  - [   0.0003805300000000,  0.0000783100000000,  0.0007432400000000 ]  - [  -0.0001391000000000,  0.0001680600000000, -0.0002344900000000 ]  - [   0.0001483100000000, -0.0001712200000000, -0.0002352900000000 ]  - [   0.0001633800000000,  0.0002339700000000,  0.0001619500000000 ]  - [  -0.0001854300000000,  0.0002373700000000, -0.0001431100000000 ]  - [   0.0001859300000000, -0.0002370000000000, -0.0001336800000000 ]  - [  -0.0001575700000000, -0.0002255100000000,  0.0001671600000000 ]  - [   0.0002354800000000,  0.0001615800000000,  0.0001476500000000 ]  - [   0.0002275900000000, -0.0001342500000000, -0.0002042900000000 ]  - [  -0.0000992500000000, -0.0001209400000000,  0.0001942100000000 ]  - [  -0.0002346100000000,  0.0001313500000000, -0.0001613100000000 ]  - [  -0.0001372500000000, -0.0001564400000000, -0.0002609900000000 ]  - [   0.0001400600000000,  0.0001622300000000, -0.0002413200000000 ]  - [   0.0001412900000000, -0.0001635500000000,  0.0002391800000000 ]  - [  -0.0001436700000000,  0.0001707200000000,  0.0002350500000000 ]  - [  -0.0001713100000000, -0.0002287400000000, -0.0001492900000000 ]  - [   0.0001660300000000, -0.0002294800000000,  0.0001348600000000 ]  - [  -0.0001670500000000,  0.0002273000000000,  0.0001292400000000 ]  - [   0.0001673700000000,  0.0002268000000000, -0.0001529000000000 ]  - [  -0.0002245900000000, -0.0001434100000000, -0.0001739000000000 ]  - [  -0.0002243700000000,  0.0001474300000000,  0.0001678400000000 ]  - [   0.0002299200000000,  0.0008257500000000, -0.0002072500000000 ]  - [   0.0002528300000000, -0.0001102200000000,  0.0001697700000000 ]  - [   0.0001482900000000,  0.0002314800000000,  0.0001791500000000 ]  - [  -0.0001683500000000,  0.0002351500000000, -0.0001283100000000 ]  - [  -0.0001453600000000, -0.0002249300000000,  0.0001759600000000 ]  - [   0.0001578300000000, -0.0002371200000000, -0.0001350100000000 ]  - [   0.0001752400000000,  0.0001529200000000,  0.0002298600000000 ]  - [  -0.0001606400000000, -0.0001504200000000,  0.0002323400000000 ]  - [   0.0001060400000000, -0.0003106500000000,  0.0011662300000000 ]  - [  -0.0004464800000000,  0.0001498200000000,  0.0011690300000000 ]  - [   0.0002121700000000,  0.0001319800000000,  0.0001365800000000 ]  - [   0.0002184400000000, -0.0001916800000000, -0.0001161700000000 ]  - [  -0.0002294700000000,  0.0001796100000000, -0.0001649700000000 ]  - [  -0.0002198400000000, -0.0001387600000000,  0.0001114200000000 ]  - [  -0.0001447000000000, -0.0002342800000000, -0.0001876600000000 ]  - [   0.0001418500000000, -0.0002340200000000,  0.0001576200000000 ]  - [   0.0001428900000000,  0.0002334800000000, -0.0001740700000000 ]  - [  -0.0001457400000000,  0.0002338600000000,  0.0001608800000000 ]  - [  -0.0001764200000000, -0.0001444100000000, -0.0002236400000000 ]  - [   0.0001663100000000,  0.0001497300000000, -0.0002266000000000 ]  - [  -0.0001965200000000,  0.0001432600000000,  0.0002178800000000 ]  - [   0.0001627200000000, -0.0001430100000000,  0.0002213200000000 ]  - [  -0.0001868300000000, -0.0000999900000000, -0.0000892500000000 ]  - [  -0.0002397000000000,  0.0002422400000000,  0.0000563900000000 ]  - [   0.0002347300000000, -0.0001715700000000,  0.0001469100000000 ]  - [   0.0002377400000000,  0.0001644400000000, -0.0001545000000000 ]  - [   0.0001432000000000,  0.0001710200000000,  0.0002271500000000 ]  - [  -0.0001442900000000, -0.0001695800000000,  0.0002243500000000 ]  - [  -0.0001210100000000,  0.0001645200000000, -0.0002169700000000 ]  - [   0.0001362500000000, -0.0001766000000000, -0.0002272400000000 ]  - [   0.0001745400000000,  0.0002197600000000,  0.0001335700000000 ]  - [  -0.0003177000000000,  0.0000985900000000, -0.0004079800000000 ]  - [   0.0001891800000000, -0.0002346200000000, -0.0001388000000000 ]  - [  -0.0001705900000000, -0.0002276800000000,  0.0001289100000000 ]  - [   0.0002196700000000,  0.0001272900000000,  0.0001918300000000 ]  - [   0.0002298800000000, -0.0001385800000000, -0.0001647000000000 ]  - [  -0.0002356100000000, -0.0001563200000000,  0.0001567500000000 ]  - [  -0.0002369500000000,  0.0001365300000000, -0.0001891600000000 ]  - [  -0.0001486600000000, -0.0001567200000000, -0.0002328900000000 ]  - [   0.0001445700000000,  0.0001691200000000, -0.0002340200000000 ]  - [   0.0001456000000000, -0.0001642400000000,  0.0002253400000000 ]  - [  -0.0001389300000000,  0.0001715300000000,  0.0002217100000000 ]  - [  -0.0000686300000000, -0.0001763900000000, -0.0002290500000000 ]  - [   0.0002472800000000, -0.0002278300000000,  0.0003235900000000 ]  - [  -0.0001638300000000,  0.0002500000000000,  0.0001779900000000 ]  - [   0.0001471300000000,  0.0002321200000000, -0.0001308800000000 ]  - [  -0.0001756100000000, -0.0002416500000000, -0.0001013200000000 ]  - [  -0.0002315300000000,  0.0001362300000000,  0.0001784700000000 ]  - [   0.0002304600000000,  0.0001443100000000, -0.0001753100000000 ]  - [   0.0002298200000000, -0.0001435500000000,  0.0001646500000000 ]  - [   0.0001406000000000,  0.0002307700000000,  0.0001434900000000 ]  - [  -0.0001421800000000,  0.0002303200000000, -0.0001838700000000 ]  - [  -0.0001413700000000, -0.0002331400000000,  0.0001454500000000 ]  - [   0.0001570000000000, -0.0002362100000000, -0.0001929900000000 ]  - [   0.0001734700000000,  0.0001430600000000,  0.0002308300000000 ]  - [  -0.0001623600000000, -0.0001498700000000,  0.0002315800000000 ]  - [   0.0001672700000000, -0.0001419800000000, -0.0002326900000000 ]  - [  -0.0001679200000000,  0.0001435700000000, -0.0002359400000000 ]  - [   0.0002131400000000,  0.0001595800000000,  0.0001594300000000 ]  - [   0.0002241900000000, -0.0001776600000000, -0.0001560100000000 ]  - [  -0.0002275300000000,  0.0001772300000000, -0.0001347300000000 ]  - [  -0.0002231400000000, -0.0001557100000000,  0.0001462600000000 ]  - [  -0.0001574100000000, -0.0002283100000000, -0.0001474200000000 ]  - [   0.0000993200000000, -0.0002122400000000,  0.0002505400000000 ]  - [   0.0001834900000000,  0.0002157100000000, -0.0001202200000000 ]  - [   0.0006582800000000,  0.0007077500000000, -0.0001002500000000 ]  - [  -0.0001672300000000, -0.0001065500000000, -0.0002517400000000 ]  - [   0.0001726700000000,  0.0001464500000000, -0.0002479700000000 ]  - [  -0.0001759900000000,  0.0001345500000000,  0.0002221800000000 ]  - [   0.0001764100000000, -0.0001373300000000,  0.0002182500000000 ]  - [  -0.0002355900000000, -0.0001675700000000, -0.0001514900000000 ]  - [  -0.0002358200000000,  0.0001715300000000,  0.0001417700000000 ]  - [   0.0002538600000000, -0.0002276900000000,  0.0000956100000000 ]  - [   0.0002380600000000,  0.0001542800000000, -0.0001185600000000 ]  - [  -0.0000176700000000, -0.0000571200000000, -0.0002315200000000 ]  - [  -0.0014243300000000, -0.0004298700000000,  0.0000217300000000 ]  - [   0.0000286800000000, -0.0000968800000000,  0.0002269700000000 ]  - [  -0.0000552400000000,  0.0002027900000000,  0.0002196600000000 ]  - [  -0.0000842900000000, -0.0002518400000000,  0.0000362400000000 ]  - [   0.0000735900000000, -0.0002602000000000,  0.0000288300000000 ]  - [  -0.0000798500000000,  0.0002265700000000,  0.0000329300000000 ]  - [   0.0000285200000000,  0.0002344500000000, -0.0001183400000000 ]  - [  -0.0003676700000000, -0.0001105500000000,  0.0000203200000000 ]  - [  -0.0002755400000000, -0.0000334000000000,  0.0001853100000000 ]  - [   0.0005702000000000,  0.0006613200000000,  0.0004973200000000 ]  - [   0.0002852700000000,  0.0000273400000000, -0.0000529600000000 ]  - [   0.0000444300000000,  0.0000212100000000,  0.0002826600000000 ]  - [  -0.0000277600000000, -0.0000233300000000,  0.0002488300000000 ]  - [  -0.0000181500000000,  0.0000504100000000, -0.0002680300000000 ]  - [   0.0000359400000000, -0.0000911400000000, -0.0002671600000000 ]  - [  -0.0002960200000000,  0.0003905800000000,  0.0005132700000000 ]  - [  -0.0000474700000000,  0.0002462500000000,  0.0000103500000000 ]  - [   0.0000499300000000, -0.0002508000000000,  0.0000235500000000 ]  - [  -0.0000396900000000, -0.0002517600000000,  0.0000547300000000 ]  - [   0.0002135900000000,  0.0002019600000000, -0.0001134700000000 ]  - [   0.0001974300000000,  0.0000383400000000, -0.0000584800000000 ]  - [   0.0005066000000000, -0.0012193700000000, -0.0000950100000000 ]  - [  -0.0002453100000000, -0.0000793200000000, -0.0000216100000000 ]  - [  -0.0000212900000000, -0.0002519500000000, -0.0001541400000000 ]  - [  -0.0001118400000000, -0.0001105600000000,  0.0000737900000000 ]  - [   0.0000719700000000,  0.0002257300000000, -0.0001034200000000 ]  - [  -0.0000276700000000,  0.0002416400000000,  0.0001230700000000 ]  - [  -0.0000562700000000, -0.0000604900000000, -0.0001942400000000 ]  - [   0.0000359000000000,  0.0000526900000000, -0.0002086200000000 ]  - [   0.0003955300000000,  0.0018325500000000,  0.0002432700000000 ]  - [   0.0000505100000000, -0.0000343000000000,  0.0002757000000000 ]  - [  -0.0002160700000000, -0.0000201700000000, -0.0000023000000000 ]  - [  -0.0002129500000000,  0.0000978000000000, -0.0000479600000000 ]  - [   0.0002439000000000, -0.0000640900000000,  0.0001154400000000 ]  - [   0.0002779500000000,  0.0000280500000000,  0.0000150700000000 ]  - [   0.0000086600000000,  0.0002317400000000,  0.0001655800000000 ]  - [  -0.0000319900000000,  0.0002539400000000,  0.0000025800000000 ]  - [  -0.0000404700000000, -0.0002582400000000,  0.0001067200000000 ]  - [  -0.0002001900000000, -0.0001925300000000, -0.0006660600000000 ]  - [   0.0000339600000000,  0.0000258800000000,  0.0002174100000000 ]  - [  -0.0000355200000000, -0.0000459000000000,  0.0002250100000000 ]  - [   0.0000805500000000, -0.0000232500000000, -0.0001789700000000 ]  - [  -0.0000486300000000, -0.0000849300000000, -0.0002615100000000 ]  - [   0.0002149900000000,  0.0001208100000000, -0.0002805000000000 ]  - [   0.0001717900000000, -0.0001805300000000,  0.0002592700000000 ]  - [  -0.0002483100000000,  0.0000473100000000, -0.0000498200000000 ]  - [  -0.0002964900000000, -0.0000208700000000, -0.0003037000000000 ]  - [  -0.0848133200000000, -0.0633148000000000, -0.4308000000000000 ]  - [   0.0000159900000000,  0.0000470000000000, -0.0002299800000000 ]  - [  -0.0000749600000000, -0.0000665000000000,  0.0002892400000000 ]  - [   0.0000033700000000,  0.0000691300000000,  0.0002698900000000 ]  - [  -0.0000367400000000, -0.0002572700000000, -0.0000839900000000 ]  - [  -0.0002721600000000,  0.0002428600000000,  0.0006911900000000 ]  - [  -0.0000251100000000,  0.0002518700000000,  0.0001894400000000 ]  - [   0.0000703500000000,  0.0002495200000000,  0.0000353900000000 ]  - [  -0.0002776800000000, -0.0000662100000000, -0.0000127800000000 ]  - [  -0.0002582200000000, -0.0000023800000000,  0.0000115500000000 ]  - [   0.0002726400000000,  0.0000432000000000, -0.0000377800000000 ]  - [   0.0002791000000000, -0.0000062800000000,  0.0001090600000000 ]  - [   0.0000813300000000,  0.0000640500000000,  0.0002702700000000 ]  - [  -0.0000351600000000, -0.0000376200000000,  0.0002818500000000 ]  - [  -0.0000558000000000,  0.0000958900000000, -0.0001245400000000 ]  - [   0.0001014900000000, -0.0000707300000000, -0.0001483100000000 ]  - [   0.0000570100000000,  0.0002396200000000,  0.0000385700000000 ]  - [   0.0003920100000000,  0.0002657200000000, -0.0011133900000000 ]  - [  -0.0000447800000000, -0.0001988200000000, -0.0002263800000000 ]  - [   0.0000802500000000, -0.0002136200000000,  0.0000664000000000 ]  - [   0.0002280800000000,  0.0000394800000000,  0.0000931600000000 ]  - [   0.0002467200000000, -0.0000113100000000, -0.0000590000000000 ]  - [  -0.0002269500000000, -0.0000417900000000,  0.0000863300000000 ]  - [  -0.0002144300000000,  0.0000254100000000, -0.0000150200000000 ]  - [  -0.0000381800000000, -0.0002448800000000,  0.0000300600000000 ]  - [   0.0000321800000000, -0.0002384100000000,  0.0000784000000000 ]  - [   0.0000367100000000,  0.0002605800000000,  0.0000423900000000 ]  - [   0.0000693100000000,  0.0001007700000000,  0.0000887100000000 ]  - [   0.0000288600000000, -0.0000034100000000, -0.0002899600000000 ]  - [   0.0000198700000000,  0.0000191900000000, -0.0003060400000000 ]  - [  -0.0000454300000000,  0.0000303900000000,  0.0002711500000000 ]  - [   0.0014715900000000, -0.0008266000000000,  0.0001633600000000 ]  - [  -0.0001812000000000,  0.0000513000000000,  0.0001134600000000 ]  - [  -0.0002473800000000,  0.0000754600000000,  0.0000933500000000 ]  - [   0.0002696900000000, -0.0000721700000000, -0.0000392100000000 ]  - [   0.0002680500000000, -0.0000739400000000,  0.0001582400000000 ]  - [   0.0000651000000000,  0.0002500600000000,  0.0000209700000000 ]  - [   0.0002108900000000,  0.0002751500000000, -0.0002454200000000 ]  - [  -0.0001108100000000, -0.0002486500000000,  0.0000087400000000 ]  - [   0.0000350600000000, -0.0002536100000000, -0.0000132200000000 ]  - [   0.0000414400000000,  0.0000988400000000,  0.0001997200000000 ]  - [  -0.0000331800000000, -0.0000325000000000,  0.0003184700000000 ]  - [   0.0000818600000000,  0.0000184800000000, -0.0002834200000000 ]  - [  -0.0000482600000000,  0.0000290100000000, -0.0001990300000000 ]  - [   0.0002492300000000,  0.0000463100000000,  0.0000746700000000 ]  - [   0.0002463300000000, -0.0000596600000000, -0.0000286200000000 ]  - [  -0.0002040200000000,  0.0001215600000000,  0.0002393900000000 ]  - [  -0.0002557300000000, -0.0000406100000000,  0.0000705300000000 ]- atom:  137  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0060569400000000, -0.0003958100000000,  0.0015318700000000 ]  - [  -0.0005923500000000,  0.0000873400000000, -0.0002126800000000 ]  - [  -0.0003940500000000, -0.0000910200000000, -0.0001349800000000 ]  - [  -0.0009090500000000, -0.0004372200000000,  0.0004837300000000 ]  - [  -0.0000279200000000, -0.0002038000000000,  0.0001058100000000 ]  - [  -0.0004493100000000, -0.0000279000000000,  0.0000752400000000 ]  - [  -0.0034466200000000,  0.0004308000000000,  0.0001333900000000 ]  - [   0.0008533200000000, -0.0004169800000000, -0.0012922100000000 ]  - [  -0.0005196300000000,  0.0002051900000000,  0.0001315800000000 ]  - [  -0.0016977700000000,  0.0002408700000000, -0.0007437600000000 ]  - [   0.0005633700000000,  0.0000320100000000,  0.0000674200000000 ]  - [  -0.0001023800000000,  0.0001954200000000, -0.0000894600000000 ]  - [  -0.0002414800000000,  0.0000080800000000,  0.0001209900000000 ]  - [   0.0004733800000000,  0.0003684800000000, -0.0000187500000000 ]  - [   0.0010523500000000, -0.0007774000000000, -0.0022688900000000 ]  - [   0.0004871500000000, -0.0002959700000000,  0.0002025100000000 ]  - [  -0.0001921000000000, -0.0017671300000000,  0.0001237400000000 ]  - [   0.0060996100000000,  0.0019651800000000,  0.0004903000000000 ]  - [   0.0002408500000000,  0.0000760000000000,  0.0001330300000000 ]  - [  -0.0003990300000000, -0.0000872000000000, -0.0000731000000000 ]  - [   0.0013093700000000,  0.0020226000000000,  0.0026211200000000 ]  - [   0.0003427900000000,  0.0001843800000000, -0.0002589500000000 ]  - [  -0.0015029200000000,  0.0001562400000000,  0.0000252800000000 ]  - [  -0.0013873300000000,  0.0014942900000000, -0.0004347800000000 ]  - [  -0.0002807800000000,  0.0000601300000000,  0.0000066200000000 ]  - [  -0.0042432600000000,  0.0004528400000000,  0.0004285900000000 ]  - [   0.0005426400000000,  0.0000105500000000,  0.0002023400000000 ]  - [  -0.0005880700000000, -0.0000510400000000, -0.0000735700000000 ]  - [  -0.0008424000000000,  0.0004753300000000,  0.0002776700000000 ]  - [  -0.0009215900000000, -0.0003555700000000, -0.0004593000000000 ]  - [   0.0008037600000000, -0.0008611600000000,  0.0003646600000000 ]  - [  -0.0006911900000000,  0.0001762500000000, -0.0002909600000000 ]  - [   0.0478632300000000, -0.0153816700000000,  0.0024345500000000 ]  - [   0.0002750600000000,  0.0000081200000000,  0.0000360800000000 ]  - [  -0.0005157800000000,  0.0001154300000000, -0.0000235200000000 ]  - [   0.0004484000000000,  0.0001187400000000, -0.0000347200000000 ]  - [   0.0010890300000000,  0.0010527400000000,  0.0014954200000000 ]  - [   0.0005765400000000, -0.0010808600000000, -0.0002885700000000 ]  - [  -0.0010696800000000, -0.0006158800000000,  0.0005475400000000 ]  - [   0.0017945500000000,  0.0023701400000000, -0.0014687000000000 ]  - [   0.0001023100000000,  0.0001606900000000,  0.0002226700000000 ]  - [  -0.0001596000000000, -0.0001925900000000,  0.0002182000000000 ]  - [  -0.0002396100000000,  0.0001749800000000, -0.0001255300000000 ]  - [   0.0000196200000000, -0.0001721800000000, -0.0001991600000000 ]  - [   0.0001677400000000,  0.0003097700000000,  0.0000262400000000 ]  - [  -0.0001770100000000,  0.0008601300000000,  0.0004754100000000 ]  - [  -0.0000816300000000, -0.0001763300000000, -0.0000588200000000 ]  - [  -0.0002986400000000, -0.0001983300000000,  0.0001763800000000 ]  - [   0.0001651300000000,  0.0002511400000000,  0.0000701700000000 ]  - [   0.0001653300000000, -0.0001239100000000, -0.0001906900000000 ]  - [  -0.0002322600000000, -0.0001679500000000,  0.0001722000000000 ]  - [  -0.0002370700000000,  0.0000933600000000, -0.0001097900000000 ]  - [  -0.0001249200000000, -0.0001219400000000, -0.0002481300000000 ]  - [   0.0001906400000000,  0.0001964400000000, -0.0002384800000000 ]  - [   0.0002981500000000, -0.0002064000000000,  0.0002567000000000 ]  - [  -0.0001473200000000,  0.0001826800000000,  0.0003013700000000 ]  - [   0.0000876700000000, -0.0004043100000000,  0.0000724900000000 ]  - [  -0.0002954200000000, -0.0014202700000000,  0.0011187000000000 ]  - [  -0.0004004000000000,  0.0001229500000000,  0.0000322700000000 ]  - [   0.0000988300000000,  0.0002131200000000, -0.0001792300000000 ]  - [  -0.0007102000000000,  0.0005581800000000, -0.0001090000000000 ]  - [  -0.0002678900000000,  0.0003542400000000,  0.0001732700000000 ]  - [   0.0001944300000000,  0.0001341000000000, -0.0001780700000000 ]  - [   0.0001790400000000, -0.0001451000000000,  0.0002025300000000 ]  - [   0.0000395500000000,  0.0002256600000000,  0.0003342900000000 ]  - [  -0.0003556600000000,  0.0002722200000000, -0.0001205400000000 ]  - [   0.0001026300000000, -0.0000924300000000, -0.0000984500000000 ]  - [   0.0000078700000000, -0.0001333200000000, -0.0004213300000000 ]  - [   0.0000708300000000,  0.0001400200000000,  0.0002645900000000 ]  - [  -0.0002248000000000, -0.0001615500000000,  0.0002505500000000 ]  - [   0.0001316200000000, -0.0001499100000000, -0.0002374200000000 ]  - [  -0.0001977300000000,  0.0001346200000000, -0.0002315400000000 ]  - [   0.0002021000000000,  0.0001465300000000,  0.0001434900000000 ]  - [   0.0001841200000000, -0.0002365200000000, -0.0000984000000000 ]  - [  -0.0003123700000000,  0.0000929500000000, -0.0001947000000000 ]  - [  -0.0002941600000000, -0.0002279700000000,  0.0001764100000000 ]  - [  -0.0002960200000000, -0.0002634700000000, -0.0002101500000000 ]  - [  -0.0000526800000000, -0.0003139600000000, -0.0001432100000000 ]  - [   0.0000953000000000, -0.0000078800000000,  0.0004373400000000 ]  - [   0.0010250400000000,  0.0000007200000000,  0.0009910300000000 ]  - [  -0.0000214600000000,  0.0000714600000000, -0.0003032400000000 ]  - [   0.0002232800000000,  0.0001060900000000, -0.0002349200000000 ]  - [  -0.0001377900000000,  0.0001478300000000,  0.0002297600000000 ]  - [   0.0001999400000000, -0.0001074100000000,  0.0002257000000000 ]  - [  -0.0002765900000000, -0.0001448800000000, -0.0001273200000000 ]  - [  -0.0002744700000000,  0.0001779200000000,  0.0001305600000000 ]  - [  -0.0000359100000000,  0.0000565400000000,  0.0002705900000000 ]  - [  -0.0000564900000000,  0.0005753500000000, -0.0001964300000000 ]  - [   0.0279385700000000,  0.0105708600000000,  0.0902735800000000 ]  - [  -0.0017055800000000, -0.0014084400000000, -0.0012157700000000 ]  - [  -0.0001221000000000,  0.0001859300000000, -0.0002285900000000 ]  - [   0.0002390700000000, -0.0001313500000000, -0.0002562800000000 ]  - [   0.0000308800000000,  0.0002709600000000,  0.0001233200000000 ]  - [  -0.0002716500000000,  0.0002444600000000, -0.0001506700000000 ]  - [   0.0002226700000000, -0.0002063200000000, -0.0000999800000000 ]  - [  -0.0000860800000000, -0.0001687500000000,  0.0001960400000000 ]  - [   0.0002848400000000,  0.0001683700000000,  0.0001500600000000 ]  - [   0.0003168600000000, -0.0001488100000000, -0.0001066100000000 ]  - [  -0.0008898600000000,  0.0008451800000000,  0.0015517300000000 ]  - [  -0.0003933100000000, -0.0001654400000000, -0.0000416800000000 ]  - [  -0.0004401500000000, -0.0000393400000000, -0.0002833900000000 ]  - [  -0.0000821600000000,  0.0001790300000000, -0.0002293000000000 ]  - [   0.0000743400000000, -0.0001667600000000,  0.0002208700000000 ]  - [  -0.0001782500000000,  0.0001904500000000,  0.0002368500000000 ]  - [  -0.0002504500000000, -0.0002416700000000, -0.0001380100000000 ]  - [   0.0001201600000000, -0.0002462400000000,  0.0001665200000000 ]  - [  -0.0000860500000000,  0.0002273400000000,  0.0001393700000000 ]  - [   0.0002725500000000,  0.0001597500000000, -0.0001950700000000 ]  - [  -0.0002415800000000, -0.0001227600000000, -0.0001556700000000 ]  - [  -0.0002570100000000,  0.0001858100000000,  0.0001967000000000 ]  - [   0.0013105200000000, -0.0001727500000000, -0.0001755800000000 ]  - [   0.0004251800000000, -0.0000487400000000,  0.0000455700000000 ]  - [   0.0001827500000000,  0.0002359100000000,  0.0001931500000000 ]  - [  -0.0001707000000000,  0.0002387100000000, -0.0001037200000000 ]  - [  -0.0001775700000000, -0.0002364200000000,  0.0001702400000000 ]  - [   0.0001664600000000, -0.0002289400000000, -0.0001407200000000 ]  - [   0.0002757900000000,  0.0001015700000000,  0.0002052200000000 ]  - [  -0.0000948100000000,  0.0000094900000000,  0.0002253200000000 ]  - [   0.0009007200000000, -0.0019057600000000, -0.0010152200000000 ]  - [  -0.0028335600000000,  0.0008458500000000, -0.0019939000000000 ]  - [   0.0000918200000000, -0.0003912500000000,  0.0000487900000000 ]  - [   0.0000466900000000, -0.0008036700000000,  0.0000048300000000 ]  - [  -0.0001644100000000,  0.0001791500000000, -0.0001506700000000 ]  - [  -0.0001541200000000, -0.0002372500000000,  0.0002386400000000 ]  - [  -0.0001471700000000, -0.0002115500000000, -0.0001647000000000 ]  - [   0.0001857000000000, -0.0002444400000000,  0.0001369500000000 ]  - [   0.0001340900000000,  0.0002330100000000, -0.0001410100000000 ]  - [  -0.0001814300000000,  0.0002383100000000,  0.0001776700000000 ]  - [  -0.0002374200000000, -0.0001872100000000, -0.0002274600000000 ]  - [   0.0000724800000000,  0.0001778900000000, -0.0002478600000000 ]  - [  -0.0007180100000000,  0.0001976700000000,  0.0001173400000000 ]  - [  -0.0001673900000000, -0.0000995900000000,  0.0001851200000000 ]  - [   0.0000784800000000,  0.0001109400000000, -0.0000620900000000 ]  - [   0.0000990200000000,  0.0003814500000000, -0.0000005700000000 ]  - [   0.0002508000000000, -0.0001135600000000,  0.0002000500000000 ]  - [   0.0002321600000000,  0.0002121100000000, -0.0001642200000000 ]  - [  -0.0997996900000000,  0.0067256000000000, -0.0920770300000000 ]  - [   0.0000193100000000,  0.0001283900000000, -0.0002391700000000 ]  - [   0.0001443600000000, -0.0000237900000000,  0.0001393700000000 ]  - [   0.0004134800000000,  0.0001044900000000,  0.0002249400000000 ]  - [   0.0001254100000000, -0.0003757500000000,  0.0000155900000000 ]  - [  -0.0023100700000000, -0.0024725500000000,  0.0055086700000000 ]  - [   0.0012597200000000,  0.0002513900000000, -0.0005369100000000 ]  - [   0.0004658000000000,  0.0002365400000000, -0.0001704500000000 ]  - [  -0.0004447600000000,  0.0000155400000000, -0.0000861600000000 ]  - [   0.0000650100000000,  0.0001700500000000,  0.0001323400000000 ]  - [   0.0003746500000000,  0.0000474700000000, -0.0000378000000000 ]  - [   0.0004772500000000,  0.0000723500000000, -0.0000816600000000 ]  - [   0.0017950100000000, -0.0008903200000000,  0.0006685100000000 ]  - [  -0.0002439100000000, -0.0000667700000000,  0.0002260300000000 ]  - [  -0.0006548400000000,  0.0000327500000000, -0.0002433700000000 ]  - [   0.0001237500000000, -0.0000617000000000, -0.0002478800000000 ]  - [   0.0003388300000000,  0.0001990100000000, -0.0000197600000000 ]  - [   0.0084742500000000, -0.0008338000000000, -0.0076402100000000 ]  - [   0.0017022400000000, -0.0002045600000000,  0.0005463300000000 ]  - [   0.0002141700000000, -0.0001327900000000,  0.0003523500000000 ]  - [   0.0001408800000000, -0.0000212200000000,  0.0000776000000000 ]  - [   0.0006335000000000, -0.0003531100000000, -0.0000656300000000 ]  - [  -0.0000777300000000, -0.0000935300000000,  0.0000384500000000 ]  - [   0.0000113200000000,  0.0000041200000000,  0.0000627300000000 ]  - [   0.0003271500000000, -0.0004246400000000, -0.0005278900000000 ]  - [   0.0006738300000000, -0.0003168000000000, -0.0000264300000000 ]  - [  -0.0006676500000000,  0.0001195800000000,  0.0000099100000000 ]  - [   0.0002664300000000, -0.0002307300000000,  0.0003781200000000 ]  - [   0.0007908600000000,  0.0001044800000000, -0.0005281800000000 ]  - [   0.0006002400000000, -0.0005060800000000, -0.0005997400000000 ]  - [   0.0002343000000000,  0.0001008700000000,  0.0003305500000000 ]  - [   0.0014380500000000, -0.0015840900000000,  0.0029432500000000 ]  - [  -0.0003497000000000,  0.0001596700000000,  0.0001757300000000 ]  - [  -0.0004303400000000,  0.0002606800000000, -0.0001414100000000 ]  - [   0.0007926100000000, -0.0002620000000000, -0.0000420000000000 ]  - [  -0.0002423800000000, -0.0000918000000000,  0.0002989800000000 ]  - [   0.0005266800000000,  0.0002445600000000,  0.0000039500000000 ]  - [   0.0001206300000000,  0.0007296500000000,  0.0004024600000000 ]  - [   0.0001188300000000,  0.0002612000000000, -0.0005030100000000 ]  - [   0.0003806800000000, -0.0001845600000000, -0.0000488200000000 ]  - [   0.0002329700000000,  0.0013470800000000, -0.0011857800000000 ]  - [  -0.0012818600000000, -0.0005031900000000, -0.0006944500000000 ]  - [  -0.0000437200000000,  0.0000265200000000, -0.0001996900000000 ]  - [   0.0005854200000000, -0.0000265900000000, -0.0001648200000000 ]  - [   0.0004985200000000,  0.0000719800000000,  0.0001148000000000 ]  - [   0.0004808000000000,  0.0000343700000000, -0.0001022000000000 ]  - [  -0.0003338700000000, -0.0026359100000000, -0.0027758900000000 ]  - [  -0.0000611400000000, -0.0001278400000000,  0.0001005700000000 ]  - [   0.0001748600000000, -0.0000766700000000, -0.0002648800000000 ]  - [   0.0061482500000000,  0.0032223800000000, -0.0009411700000000 ]  - [   0.0000106000000000,  0.0001565400000000,  0.0002481400000000 ]  - [  -0.0004221700000000,  0.0000650300000000,  0.0002894800000000 ]  - [   0.0000099500000000, -0.0003133600000000,  0.0004702300000000 ]  - [   0.0002747000000000, -0.0002628300000000,  0.0000471600000000 ]  - [  -0.0001364300000000,  0.0002190100000000, -0.0000731000000000 ]  - [  -0.0002675500000000,  0.0002310000000000, -0.0001432400000000 ]  - [   0.0006870300000000,  0.0004686500000000, -0.0003439400000000 ]  - [  -0.0005539400000000,  0.0001450100000000,  0.0002470500000000 ]  - [   0.0060516800000000,  0.0055238400000000,  0.0040692600000000 ]  - [  -0.0003292600000000,  0.0005403700000000, -0.0000018300000000 ]  - [   0.0000488100000000, -0.0000656300000000,  0.0002867900000000 ]  - [   0.0012893900000000, -0.0000976200000000,  0.0004050100000000 ]  - [   0.0003501500000000,  0.0000767200000000, -0.0002391500000000 ]  - [   0.0001188800000000, -0.0003104600000000, -0.0002375100000000 ]  - [  -0.0007823800000000,  0.0003091900000000, -0.0007461900000000 ]  - [   0.0000387800000000,  0.0002474800000000, -0.0000931300000000 ]  - [  -0.0001610200000000, -0.0002866000000000, -0.0000038200000000 ]  - [  -0.0001497100000000, -0.0002168800000000,  0.0001504300000000 ]  - [   0.0014622000000000, -0.0007424200000000,  0.0000840200000000 ]  - [   0.0000995600000000, -0.0001503400000000, -0.0004537900000000 ]  - [   0.0002161100000000, -0.0076078100000000, -0.0014846800000000 ]  - [  -0.0004771500000000, -0.0005480100000000,  0.0002481700000000 ]  - [   0.0003277900000000, -0.0006154600000000, -0.0003522300000000 ]  - [  -0.0006676100000000, -0.0003479700000000, -0.0000460500000000 ]  - [   0.0006729900000000,  0.0002103300000000, -0.0000325800000000 ]  - [   0.0002656200000000, -0.0001083100000000,  0.0005554000000000 ]  - [  -0.0003828200000000,  0.0001033900000000, -0.0002830300000000 ]  - [   0.0000024200000000, -0.0005038200000000, -0.0004845600000000 ]  - [  -0.0014096100000000,  0.0015913100000000,  0.0010543500000000 ]  - [   0.0001393600000000, -0.0001009600000000,  0.0003274700000000 ]  - [   0.0003647200000000,  0.0004276400000000,  0.0001757700000000 ]  - [   0.0007651200000000,  0.0009270300000000, -0.0002990300000000 ]  - [   0.0000552400000000, -0.0002053600000000, -0.0000432300000000 ]  - [   0.0007088600000000, -0.0000249200000000,  0.0001408600000000 ]  - [  -0.0010569600000000,  0.0003043800000000,  0.0001746800000000 ]  - [   0.0000603100000000,  0.0005196100000000,  0.0001932000000000 ]  - [   0.0000615700000000, -0.0000179900000000, -0.0000861500000000 ]  - [  -0.0025152700000000,  0.0001057400000000, -0.0006569700000000 ]  - [   0.0001688800000000,  0.0002492200000000,  0.0001585700000000 ]  - [   0.0002715000000000, -0.0001630200000000,  0.0002175600000000 ]  - [   0.0008456500000000,  0.0000997100000000,  0.0003482200000000 ]  - [  -0.0004495600000000, -0.0001014200000000, -0.0001786000000000 ]  - [  -0.0003423500000000,  0.0001963900000000, -0.0000415200000000 ]  - [  -0.0005518800000000,  0.0010370900000000, -0.0003196900000000 ]  - [  -0.0000792700000000, -0.0001018800000000, -0.0002325900000000 ]  - [  -0.0006638400000000, -0.0015463400000000,  0.0003197600000000 ]- atom:  137  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0060958400000000,  0.0003552500000000, -0.0013847600000000 ]  - [   0.0005950200000000, -0.0000851700000000,  0.0002164000000000 ]  - [   0.0003957700000000,  0.0000949400000000,  0.0001323500000000 ]  - [   0.0009087100000000,  0.0004425500000000, -0.0004832500000000 ]  - [   0.0000312400000000,  0.0002017800000000, -0.0001068600000000 ]  - [   0.0004484400000000,  0.0000269100000000, -0.0000757400000000 ]  - [   0.0034465400000000, -0.0004285300000000, -0.0001342300000000 ]  - [  -0.0008575400000000,  0.0004219800000000,  0.0012997300000000 ]  - [   0.0005178800000000, -0.0002046700000000, -0.0001296300000000 ]  - [   0.0017038100000000, -0.0002440400000000,  0.0007494300000000 ]  - [  -0.0005671900000000, -0.0000325900000000, -0.0000677200000000 ]  - [   0.0001035700000000, -0.0001971700000000,  0.0000890700000000 ]  - [   0.0002411600000000, -0.0000074400000000, -0.0001220200000000 ]  - [  -0.0004750000000000, -0.0003659600000000,  0.0000192300000000 ]  - [  -0.0010557300000000,  0.0007780900000000,  0.0022620300000000 ]  - [  -0.0004841800000000,  0.0002966500000000, -0.0002065500000000 ]  - [   0.0001877500000000,  0.0017773200000000, -0.0001291900000000 ]  - [  -0.0061185400000000, -0.0019799500000000, -0.0004757000000000 ]  - [  -0.0002417600000000, -0.0000782700000000, -0.0001312400000000 ]  - [   0.0004007400000000,  0.0000875700000000,  0.0000763800000000 ]  - [  -0.0013047100000000, -0.0020162300000000, -0.0026255600000000 ]  - [  -0.0003414400000000, -0.0001844100000000,  0.0002606600000000 ]  - [   0.0015037100000000, -0.0001596000000000, -0.0000253800000000 ]  - [   0.0013940200000000, -0.0014957600000000,  0.0004360600000000 ]  - [   0.0002803500000000, -0.0000606100000000, -0.0000058200000000 ]  - [   0.0042644700000000, -0.0004560700000000, -0.0004385000000000 ]  - [  -0.0005439500000000, -0.0000102000000000, -0.0002003600000000 ]  - [   0.0005885700000000,  0.0000522700000000,  0.0000761900000000 ]  - [   0.0008453000000000, -0.0004736900000000, -0.0002784300000000 ]  - [   0.0009230600000000,  0.0003559700000000,  0.0004587000000000 ]  - [  -0.0008057500000000,  0.0008611800000000, -0.0003630600000000 ]  - [   0.0006924400000000, -0.0001766100000000,  0.0002916200000000 ]  - [  -0.0449898500000000,  0.0140958100000000, -0.0016975200000000 ]  - [  -0.0002747600000000, -0.0000090500000000, -0.0000364000000000 ]  - [   0.0005152000000000, -0.0001162600000000,  0.0000237400000000 ]  - [  -0.0004432600000000, -0.0001151100000000,  0.0000334400000000 ]  - [  -0.0010927100000000, -0.0010550200000000, -0.0014936300000000 ]  - [  -0.0005809100000000,  0.0010807800000000,  0.0002874900000000 ]  - [   0.0010710700000000,  0.0006131000000000, -0.0005473100000000 ]  - [  -0.0018123200000000, -0.0023847800000000,  0.0014702600000000 ]  - [   0.0001849900000000,  0.0001770500000000,  0.0002391000000000 ]  - [  -0.0001278900000000, -0.0001454200000000,  0.0002435800000000 ]  - [  -0.0000479000000000,  0.0001625400000000, -0.0003334300000000 ]  - [   0.0002675000000000, -0.0001653300000000, -0.0002599700000000 ]  - [   0.0001693100000000,  0.0001486100000000,  0.0002612300000000 ]  - [  -0.0001568600000000, -0.0004087200000000, -0.0007569600000000 ]  - [   0.0004192400000000, -0.0002863200000000, -0.0002289200000000 ]  - [  -0.0000388700000000, -0.0002599800000000,  0.0001105200000000 ]  - [   0.0002957200000000,  0.0000360600000000,  0.0002680600000000 ]  - [   0.0002966300000000, -0.0001635600000000, -0.0001471700000000 ]  - [  -0.0002289800000000, -0.0001190100000000,  0.0001658200000000 ]  - [  -0.0002225800000000,  0.0001934300000000, -0.0002270400000000 ]  - [  -0.0001627600000000, -0.0002159200000000, -0.0002129200000000 ]  - [   0.0000962900000000,  0.0001413700000000, -0.0002221500000000 ]  - [  -0.0000101000000000, -0.0001317300000000,  0.0002065300000000 ]  - [  -0.0001396500000000,  0.0001543900000000,  0.0001552200000000 ]  - [  -0.0004246700000000, -0.0000574000000000, -0.0003603100000000 ]  - [   0.0006356600000000,  0.0009572400000000, -0.0008306800000000 ]  - [   0.0000637200000000,  0.0003374300000000,  0.0002556100000000 ]  - [   0.0002385200000000,  0.0002480400000000, -0.0001076500000000 ]  - [   0.0002578600000000, -0.0008527200000000, -0.0002302300000000 ]  - [  -0.0001934300000000, -0.0000675300000000,  0.0001641600000000 ]  - [   0.0002689200000000,  0.0001534000000000, -0.0001598400000000 ]  - [   0.0002819900000000, -0.0001422700000000,  0.0001354600000000 ]  - [   0.0002476100000000,  0.0002369900000000,  0.0000039000000000 ]  - [   0.0000682100000000,  0.0001901800000000, -0.0002176500000000 ]  - [  -0.0003890200000000, -0.0003649700000000,  0.0004358000000000 ]  - [   0.0002792300000000, -0.0003293500000000,  0.0000842500000000 ]  - [   0.0002664900000000,  0.0001470200000000,  0.0001960900000000 ]  - [  -0.0001130300000000, -0.0001255200000000,  0.0002100000000000 ]  - [   0.0002060600000000, -0.0001375400000000, -0.0002235500000000 ]  - [  -0.0001402100000000,  0.0001528200000000, -0.0002299100000000 ]  - [   0.0002579400000000,  0.0001913500000000,  0.0001444900000000 ]  - [   0.0002748200000000, -0.0001011000000000, -0.0001883500000000 ]  - [  -0.0001480300000000,  0.0002454400000000, -0.0000924700000000 ]  - [  -0.0001675800000000, -0.0001093500000000,  0.0001108900000000 ]  - [   0.0000086100000000, -0.0001948900000000, -0.0001264800000000 ]  - [   0.0003401200000000, -0.0001461100000000,  0.0004834800000000 ]  - [   0.0001923500000000,  0.0004671800000000, -0.0007732500000000 ]  - [  -0.0013085800000000,  0.0004567400000000, -0.0006654800000000 ]  - [  -0.0003161900000000, -0.0003562500000000, -0.0001585700000000 ]  - [   0.0001141600000000,  0.0001809700000000, -0.0002267700000000 ]  - [  -0.0002000700000000,  0.0001398400000000,  0.0002310500000000 ]  - [   0.0001376100000000, -0.0001803100000000,  0.0002351600000000 ]  - [  -0.0001828600000000, -0.0001929000000000, -0.0001594900000000 ]  - [  -0.0001882400000000,  0.0001598600000000,  0.0001573500000000 ]  - [   0.0004962400000000, -0.0003971200000000,  0.0000111000000000 ]  - [   0.0005221900000000, -0.0002408200000000, -0.0000909200000000 ]  - [  -0.0252432700000000, -0.0098441800000000, -0.0868988300000000 ]  - [   0.0014337400000000,  0.0010870700000000,  0.0016905600000000 ]  - [  -0.0001659400000000,  0.0001519600000000, -0.0002322300000000 ]  - [   0.0000485800000000, -0.0002070600000000, -0.0002054300000000 ]  - [   0.0003068500000000,  0.0001908600000000,  0.0001639100000000 ]  - [  -0.0000660800000000,  0.0002164400000000, -0.0001364100000000 ]  - [   0.0001148200000000, -0.0002537200000000, -0.0001871800000000 ]  - [  -0.0002513300000000, -0.0002888600000000,  0.0000908300000000 ]  - [   0.0001763600000000,  0.0001185000000000,  0.0001879700000000 ]  - [   0.0001435500000000, -0.0001389300000000, -0.0002307200000000 ]  - [   0.0004364500000000, -0.0011284500000000, -0.0012171700000000 ]  - [  -0.0000675000000000,  0.0004509300000000, -0.0002950900000000 ]  - [   0.0001505400000000, -0.0002978700000000, -0.0001765800000000 ]  - [   0.0003702000000000,  0.0001592700000000, -0.0002333900000000 ]  - [   0.0002131500000000, -0.0001714800000000,  0.0002413100000000 ]  - [  -0.0001082100000000,  0.0001469700000000,  0.0002209400000000 ]  - [  -0.0000877800000000, -0.0002213100000000, -0.0001494000000000 ]  - [   0.0002170200000000, -0.0002128300000000,  0.0001205900000000 ]  - [  -0.0002513800000000,  0.0002323200000000,  0.0001481800000000 ]  - [   0.0000655400000000,  0.0002997100000000, -0.0000916100000000 ]  - [  -0.0002206500000000, -0.0001647000000000, -0.0001821100000000 ]  - [  -0.0002042000000000,  0.0001019800000000,  0.0001414600000000 ]  - [  -0.0008535100000000,  0.0004376500000000, -0.0001624000000000 ]  - [   0.0000338400000000, -0.0002381800000000,  0.0002921600000000 ]  - [   0.0001045400000000,  0.0002228200000000,  0.0001443700000000 ]  - [  -0.0001174500000000,  0.0002242700000000, -0.0002343100000000 ]  - [  -0.0001099100000000, -0.0002248100000000,  0.0001676100000000 ]  - [   0.0001203100000000, -0.0002321300000000, -0.0001971200000000 ]  - [   0.0000609700000000,  0.0001857500000000,  0.0002554000000000 ]  - [  -0.0002444600000000, -0.0002967900000000,  0.0002376700000000 ]  - [  -0.0005796200000000,  0.0016292700000000,  0.0005620600000000 ]  - [   0.0025256700000000, -0.0005748400000000,  0.0015807600000000 ]  - [   0.0003693400000000,  0.0007275900000000,  0.0002390600000000 ]  - [   0.0004144300000000,  0.0004646800000000, -0.0002919800000000 ]  - [  -0.0002963000000000,  0.0001581300000000, -0.0001363200000000 ]  - [  -0.0003051100000000, -0.0001005900000000,  0.0000468100000000 ]  - [  -0.0001393900000000, -0.0002483300000000, -0.0001716400000000 ]  - [   0.0001012200000000, -0.0002152400000000,  0.0002009200000000 ]  - [   0.0001535200000000,  0.0002297500000000, -0.0001968600000000 ]  - [  -0.0001059300000000,  0.0002226900000000,  0.0001603300000000 ]  - [  -0.0000995600000000, -0.0001000100000000, -0.0002325000000000 ]  - [   0.0002658300000000,  0.0001099000000000, -0.0002147900000000 ]  - [   0.0003806300000000,  0.0000901600000000,  0.0003426700000000 ]  - [   0.0005065700000000, -0.0001880000000000,  0.0002768900000000 ]  - [  -0.0005384800000000, -0.0004493300000000, -0.0002257100000000 ]  - [  -0.0005597600000000, -0.0000462500000000,  0.0002902500000000 ]  - [   0.0002117300000000, -0.0002242700000000,  0.0000878500000000 ]  - [   0.0002285800000000,  0.0001258700000000, -0.0001228200000000 ]  - [   0.0944612200000000, -0.0058445700000000,  0.0877195700000000 ]  - [   0.0000354800000000, -0.0000222700000000, -0.0002626400000000 ]  - [  -0.0000880500000000, -0.0000808400000000,  0.0003545900000000 ]  - [  -0.0004665200000000,  0.0000029100000000,  0.0002728800000000 ]  - [  -0.0002304500000000, -0.0001260200000000, -0.0000720600000000 ]  - [   0.0024171300000000,  0.0019462300000000, -0.0054045500000000 ]  - [  -0.0013634100000000,  0.0002497600000000,  0.0006015100000000 ]  - [  -0.0003589300000000,  0.0002643600000000,  0.0001157900000000 ]  - [  -0.0000582000000000, -0.0000712600000000, -0.0000193000000000 ]  - [  -0.0005634000000000, -0.0001162000000000, -0.0000251800000000 ]  - [   0.0001302200000000,  0.0000069900000000, -0.0000696200000000 ]  - [   0.0000263200000000, -0.0001277700000000,  0.0001868500000000 ]  - [  -0.0017771100000000,  0.0010082700000000, -0.0001772900000000 ]  - [   0.0001880400000000, -0.0000409600000000,  0.0002717300000000 ]  - [   0.0005992900000000,  0.0000737300000000, -0.0002572400000000 ]  - [  -0.0000693300000000, -0.0000434900000000, -0.0002517800000000 ]  - [  -0.0002339000000000,  0.0003018900000000,  0.0000780700000000 ]  - [  -0.0085016200000000,  0.0013273400000000,  0.0074870200000000 ]  - [  -0.0016021000000000, -0.0002939400000000, -0.0006063900000000 ]  - [  -0.0003224900000000, -0.0003682800000000, -0.0003020600000000 ]  - [   0.0003573200000000,  0.0000749600000000,  0.0000268100000000 ]  - [  -0.0001329800000000,  0.0002976400000000, -0.0000375900000000 ]  - [  -0.0004274900000000,  0.0000389400000000,  0.0000683700000000 ]  - [  -0.0005150900000000,  0.0000514400000000, -0.0001712500000000 ]  - [  -0.0003820600000000, -0.0000787800000000,  0.0004220200000000 ]  - [  -0.0006184000000000, -0.0001829900000000,  0.0001354900000000 ]  - [   0.0007236400000000,  0.0003789600000000, -0.0001165600000000 ]  - [  -0.0003217700000000,  0.0007308200000000, -0.0002753500000000 ]  - [  -0.0008972700000000, -0.0001579300000000,  0.0000272600000000 ]  - [  -0.0004940900000000,  0.0005602600000000,  0.0001041700000000 ]  - [  -0.0003400200000000, -0.0000448400000000,  0.0001706000000000 ]  - [  -0.0013389400000000,  0.0015467300000000, -0.0024890600000000 ]  - [  -0.0001469700000000, -0.0002658000000000, -0.0002312200000000 ]  - [  -0.0000699700000000, -0.0001554300000000,  0.0001976700000000 ]  - [  -0.0002990800000000,  0.0001548200000000,  0.0000997200000000 ]  - [   0.0007425600000000,  0.0001999900000000, -0.0003572000000000 ]  - [  -0.0004723600000000,  0.0002476700000000,  0.0001019300000000 ]  - [  -0.0001748900000000, -0.0002336800000000, -0.0005115500000000 ]  - [  -0.0001747000000000, -0.0007592700000000,  0.0006083000000000 ]  - [  -0.0003252500000000, -0.0003166500000000, -0.0000565400000000 ]  - [  -0.0001286200000000, -0.0012880900000000,  0.0016822500000000 ]  - [   0.0011751100000000,  0.0004495700000000,  0.0011985100000000 ]  - [   0.0001506700000000, -0.0000810600000000, -0.0002952700000000 ]  - [  -0.0006936600000000,  0.0000803000000000, -0.0003326900000000 ]  - [   0.0000020600000000,  0.0000343500000000, -0.0000582900000000 ]  - [   0.0000225400000000, -0.0001403900000000,  0.0000456700000000 ]  - [  -0.0001536600000000,  0.0027514700000000,  0.0027327200000000 ]  - [  -0.0004365900000000,  0.0000213300000000, -0.0000465400000000 ]  - [  -0.0002288300000000, -0.0000306100000000, -0.0002393100000000 ]  - [  -0.0061514600000000, -0.0031627600000000,  0.0004519600000000 ]  - [   0.0000471500000000, -0.0002648300000000,  0.0002515100000000 ]  - [   0.0003693000000000,  0.0000257300000000,  0.0002101000000000 ]  - [  -0.0001158000000000, -0.0001801500000000, -0.0005279700000000 ]  - [  -0.0001676400000000, -0.0002392800000000,  0.0000054100000000 ]  - [   0.0000294900000000,  0.0002755200000000,  0.0001279800000000 ]  - [   0.0003735600000000,  0.0002618600000000,  0.0000892800000000 ]  - [  -0.0011884700000000, -0.0005274200000000,  0.0002423900000000 ]  - [   0.0000579700000000, -0.0000886700000000, -0.0001411700000000 ]  - [  -0.0055052500000000, -0.0053884100000000, -0.0041100100000000 ]  - [   0.0008214100000000, -0.0005991200000000,  0.0001088300000000 ]  - [   0.0000056100000000,  0.0001711700000000,  0.0002153800000000 ]  - [  -0.0013478400000000, -0.0000089100000000,  0.0000958200000000 ]  - [  -0.0004071200000000,  0.0000296100000000, -0.0002593800000000 ]  - [  -0.0000635500000000,  0.0002051400000000, -0.0002586400000000 ]  - [   0.0008876400000000,  0.0001853700000000,  0.0007997400000000 ]  - [  -0.0001447500000000,  0.0002535400000000,  0.0000381800000000 ]  - [   0.0002662700000000, -0.0002127100000000, -0.0000532200000000 ]  - [   0.0000404700000000, -0.0002790000000000, -0.0000952800000000 ]  - [  -0.0009717600000000,  0.0008045200000000,  0.0000228700000000 ]  - [   0.0003949400000000,  0.0000952800000000,  0.0003469800000000 ]  - [  -0.0007423900000000,  0.0075196200000000,  0.0015782000000000 ]  - [  -0.0000207400000000,  0.0006042600000000, -0.0003531800000000 ]  - [  -0.0003833300000000,  0.0001230500000000,  0.0002483700000000 ]  - [   0.0007217900000000, -0.0001494700000000,  0.0001527700000000 ]  - [  -0.0006190800000000,  0.0002915400000000, -0.0000742600000000 ]  - [  -0.0003211800000000,  0.0006083600000000, -0.0004515100000000 ]  - [   0.0002785900000000, -0.0001606400000000, -0.0002172100000000 ]  - [   0.0001045100000000,  0.0005598500000000, -0.0000201100000000 ]  - [   0.0013154400000000, -0.0015373000000000, -0.0005614300000000 ]  - [  -0.0000334300000000,  0.0000448000000000,  0.0001720500000000 ]  - [  -0.0008666800000000, -0.0005320400000000, -0.0002298400000000 ]  - [  -0.0012695400000000, -0.0008192100000000,  0.0003560800000000 ]  - [   0.0004439800000000,  0.0000987800000000,  0.0000961400000000 ]  - [  -0.0002128900000000,  0.0001306600000000, -0.0001956200000000 ]  - [   0.0011125300000000,  0.0002001000000000, -0.0000752900000000 ]  - [  -0.0001183100000000, -0.0000179000000000, -0.0002987100000000 ]  - [  -0.0001149800000000, -0.0004821300000000,  0.0001949700000000 ]  - [   0.0025711100000000, -0.0006154600000000,  0.0005743400000000 ]  - [  -0.0000650400000000, -0.0001931100000000,  0.0003423900000000 ]  - [  -0.0003793200000000,  0.0001072000000000,  0.0002809900000000 ]  - [  -0.0007412200000000, -0.0001558500000000, -0.0008473000000000 ]  - [   0.0003449900000000,  0.0001543800000000, -0.0003196300000000 ]  - [   0.0008392600000000, -0.0000899300000000,  0.0000972400000000 ]  - [   0.0010565500000000, -0.0011380800000000,  0.0002615600000000 ]  - [  -0.0004179000000000,  0.0002069900000000,  0.0001769500000000 ]  - [   0.0001716600000000,  0.0014484000000000, -0.0002622500000000 ]- atom:  137  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0004346100000000,  0.0046115100000000, -0.0005729000000000 ]  - [   0.0000852800000000,  0.0003076200000000,  0.0000507100000000 ]  - [  -0.0000456500000000, -0.0005638000000000, -0.0000472100000000 ]  - [  -0.0002403900000000,  0.0000682400000000,  0.0002468100000000 ]  - [  -0.0001471000000000,  0.0001820300000000,  0.0001017800000000 ]  - [   0.0000513500000000, -0.0001135300000000, -0.0000190300000000 ]  - [   0.0005329700000000,  0.0006061600000000, -0.0001580900000000 ]  - [  -0.0003163300000000,  0.0014735600000000, -0.0002109900000000 ]  - [   0.0003232700000000, -0.0002006600000000, -0.0001606800000000 ]  - [   0.0006497900000000,  0.0005862400000000,  0.0000651900000000 ]  - [   0.0000468500000000, -0.0002823200000000, -0.0001446100000000 ]  - [   0.0002991900000000,  0.0001145600000000,  0.0002129400000000 ]  - [  -0.0000741400000000, -0.0003481000000000,  0.0000407000000000 ]  - [   0.0004251500000000, -0.0019343700000000,  0.0005194800000000 ]  - [   0.0000028600000000,  0.0018861300000000, -0.0004948500000000 ]  - [  -0.0009642600000000, -0.0012657000000000,  0.0010274400000000 ]  - [  -0.0009626700000000, -0.0011235500000000,  0.0001218700000000 ]  - [   0.0002316900000000,  0.0069233000000000, -0.0013267600000000 ]  - [   0.0000270500000000, -0.0005777900000000, -0.0001329700000000 ]  - [  -0.0001857900000000, -0.0005068100000000, -0.0000731400000000 ]  - [   0.0012792200000000,  0.0000525500000000, -0.0027477100000000 ]  - [   0.0000403700000000, -0.0008783500000000,  0.0000712000000000 ]  - [   0.0000631700000000,  0.0002338400000000, -0.0000332900000000 ]  - [   0.0018904900000000, -0.0015163200000000,  0.0006104700000000 ]  - [   0.0001024500000000, -0.0003600800000000,  0.0000142900000000 ]  - [  -0.0009482300000000,  0.0012998500000000,  0.0000451600000000 ]  - [  -0.0000833000000000,  0.0006272200000000,  0.0000696400000000 ]  - [   0.0000122900000000,  0.0003749500000000,  0.0000695500000000 ]  - [   0.0004365400000000, -0.0003182900000000, -0.0003030000000000 ]  - [  -0.0001750100000000,  0.0002088300000000, -0.0002282700000000 ]  - [  -0.0003247600000000, -0.0009808600000000,  0.0010288700000000 ]  - [   0.0002605000000000, -0.0002699300000000,  0.0003120700000000 ]  - [  -0.0116508900000000,  0.0159050000000000,  0.0002243800000000 ]  - [  -0.0001159100000000, -0.0005485000000000,  0.0000744200000000 ]  - [   0.0002729200000000, -0.0007116700000000, -0.0000435000000000 ]  - [  -0.0012386700000000, -0.0026968100000000, -0.0001000200000000 ]  - [   0.0004529400000000,  0.0004646700000000, -0.0019320400000000 ]  - [  -0.0009175900000000, -0.0019862000000000, -0.0009393400000000 ]  - [  -0.0002401300000000,  0.0002889900000000,  0.0001396700000000 ]  - [   0.0022130500000000, -0.0007905400000000,  0.0027906800000000 ]  - [   0.0001517100000000,  0.0001208100000000,  0.0002341900000000 ]  - [  -0.0001515500000000, -0.0002190500000000,  0.0002238200000000 ]  - [  -0.0001345000000000,  0.0002590100000000, -0.0002441500000000 ]  - [   0.0001737900000000, -0.0001112500000000, -0.0002477600000000 ]  - [   0.0002500900000000,  0.0001560500000000,  0.0002733500000000 ]  - [   0.0000551300000000, -0.0003251100000000,  0.0002763600000000 ]  - [   0.0003292900000000, -0.0001269500000000, -0.0002282200000000 ]  - [  -0.0001492100000000, -0.0001896000000000,  0.0001501400000000 ]  - [   0.0002636200000000,  0.0001755800000000,  0.0001399400000000 ]  - [   0.0002496100000000, -0.0001829600000000, -0.0001761800000000 ]  - [  -0.0002494500000000, -0.0002108500000000,  0.0001584100000000 ]  - [  -0.0002581700000000,  0.0001499200000000, -0.0001588600000000 ]  - [  -0.0000941600000000, -0.0002963700000000, -0.0001978500000000 ]  - [   0.0001335000000000, -0.0000118500000000, -0.0002158000000000 ]  - [   0.0001344700000000, -0.0000756400000000,  0.0002791600000000 ]  - [  -0.0001476700000000,  0.0002730500000000,  0.0002462900000000 ]  - [  -0.0003832600000000, -0.0000690700000000,  0.0001113900000000 ]  - [  -0.0010243300000000, -0.0000777900000000,  0.0008821300000000 ]  - [  -0.0002447900000000,  0.0001967500000000,  0.0000830900000000 ]  - [   0.0001111300000000,  0.0002373400000000, -0.0002027700000000 ]  - [   0.0001183100000000,  0.0000333900000000, -0.0002287700000000 ]  - [  -0.0000984900000000,  0.0000132300000000,  0.0000987500000000 ]  - [   0.0002271200000000,  0.0001464200000000, -0.0001656800000000 ]  - [   0.0002279300000000, -0.0001239800000000,  0.0001671400000000 ]  - [   0.0001653400000000,  0.0003324700000000,  0.0001437300000000 ]  - [  -0.0001491800000000,  0.0002826100000000, -0.0001382400000000 ]  - [  -0.0001453500000000, -0.0002465500000000,  0.0004376400000000 ]  - [   0.0003310100000000, -0.0002682100000000, -0.0000016300000000 ]  - [   0.0001823500000000,  0.0001800600000000,  0.0002332300000000 ]  - [  -0.0001520500000000, -0.0001115500000000,  0.0002164000000000 ]  - [   0.0001713000000000, -0.0001616100000000, -0.0002293800000000 ]  - [  -0.0001651800000000,  0.0001196300000000, -0.0002226600000000 ]  - [   0.0002002400000000,  0.0001619600000000,  0.0001925100000000 ]  - [   0.0002043100000000, -0.0002109800000000, -0.0001298000000000 ]  - [  -0.0002467100000000,  0.0001311300000000, -0.0001473200000000 ]  - [  -0.0002543400000000, -0.0002170700000000,  0.0001168100000000 ]  - [  -0.0001342100000000, -0.0001991100000000, -0.0002172000000000 ]  - [  -0.0000390500000000, -0.0001874200000000,  0.0000592400000000 ]  - [   0.0000390500000000,  0.0004242900000000, -0.0002123900000000 ]  - [  -0.0011904300000000,  0.0008361800000000,  0.0023493900000000 ]  - [  -0.0001723900000000, -0.0000953100000000, -0.0002197700000000 ]  - [   0.0001852100000000,  0.0001205400000000, -0.0002115100000000 ]  - [  -0.0001534700000000,  0.0000771700000000,  0.0002289800000000 ]  - [   0.0001908600000000, -0.0001416900000000,  0.0002580400000000 ]  - [  -0.0002227100000000, -0.0001474200000000, -0.0001404100000000 ]  - [  -0.0002191600000000,  0.0001841900000000,  0.0001443700000000 ]  - [   0.0002968000000000, -0.0000548200000000,  0.0002770400000000 ]  - [   0.0003606500000000,  0.0001181400000000, -0.0002337900000000 ]  - [   0.0085716900000000,  0.0158253900000000,  0.0681907300000000 ]  - [  -0.0009952300000000,  0.0002171600000000, -0.0002539200000000 ]  - [  -0.0000815100000000,  0.0000009800000000, -0.0002778400000000 ]  - [   0.0002014700000000, -0.0002648200000000, -0.0003831700000000 ]  - [   0.0003569500000000,  0.0001906400000000,  0.0001939000000000 ]  - [  -0.0001110800000000,  0.0002175000000000, -0.0001191900000000 ]  - [   0.0001885600000000, -0.0002874600000000, -0.0002035400000000 ]  - [  -0.0001319300000000, -0.0003611700000000,  0.0000477100000000 ]  - [   0.0002145100000000,  0.0001048600000000,  0.0002549400000000 ]  - [   0.0002088500000000, -0.0000620800000000, -0.0001110500000000 ]  - [   0.0001024800000000,  0.0001263700000000,  0.0008472400000000 ]  - [  -0.0002026800000000,  0.0002920700000000, -0.0002720500000000 ]  - [  -0.0000606800000000, -0.0000772100000000, -0.0002435400000000 ]  - [   0.0001231600000000,  0.0002521400000000, -0.0002007800000000 ]  - [   0.0001315400000000, -0.0002355700000000,  0.0002297100000000 ]  - [  -0.0001916800000000,  0.0000122500000000,  0.0002699800000000 ]  - [  -0.0001695500000000, -0.0002739500000000, -0.0001318100000000 ]  - [   0.0001465200000000, -0.0002589800000000,  0.0001630900000000 ]  - [  -0.0002403000000000,  0.0001928900000000,  0.0000348500000000 ]  - [  -0.0000253700000000,  0.0002398100000000, -0.0003345300000000 ]  - [  -0.0002376400000000, -0.0001783600000000, -0.0001726200000000 ]  - [  -0.0002201400000000,  0.0001228200000000,  0.0001609000000000 ]  - [  -0.0002032800000000, -0.0033448400000000, -0.0000945500000000 ]  - [   0.0001352200000000, -0.0006663500000000,  0.0002882200000000 ]  - [   0.0000916500000000,  0.0001513800000000,  0.0002007600000000 ]  - [  -0.0001725400000000,  0.0001390700000000, -0.0001446900000000 ]  - [  -0.0001206900000000, -0.0002561400000000,  0.0001737200000000 ]  - [   0.0002244600000000, -0.0003041500000000, -0.0000958600000000 ]  - [   0.0002225700000000, -0.0002033400000000,  0.0001503900000000 ]  - [   0.0000105800000000, -0.0003484700000000,  0.0001978800000000 ]  - [  -0.0016341900000000, -0.0014490300000000, -0.0016282100000000 ]  - [   0.0012390000000000,  0.0013233000000000,  0.0002111100000000 ]  - [   0.0001279000000000,  0.0001207600000000,  0.0000338600000000 ]  - [   0.0001043900000000,  0.0000134800000000, -0.0000045500000000 ]  - [  -0.0002498800000000,  0.0001951800000000, -0.0002002800000000 ]  - [  -0.0002747700000000, -0.0000926100000000,  0.0003923300000000 ]  - [  -0.0002396700000000, -0.0003411600000000, -0.0003609300000000 ]  - [   0.0000704100000000, -0.0002835900000000,  0.0000914100000000 ]  - [   0.0001816300000000,  0.0001786300000000, -0.0001890600000000 ]  - [  -0.0001399400000000,  0.0001910700000000,  0.0001830100000000 ]  - [  -0.0002979300000000, -0.0002300200000000, -0.0002097900000000 ]  - [   0.0001693300000000,  0.0000536200000000, -0.0002181400000000 ]  - [  -0.0002861000000000,  0.0003581100000000,  0.0002253000000000 ]  - [   0.0002323900000000, -0.0001106400000000,  0.0002627500000000 ]  - [  -0.0002979800000000, -0.0008795800000000, -0.0002267500000000 ]  - [  -0.0002002600000000, -0.0005482900000000,  0.0006720800000000 ]  - [   0.0002285300000000, -0.0002331800000000,  0.0000999700000000 ]  - [   0.0002387500000000,  0.0001322800000000, -0.0001284000000000 ]  - [   0.0057031100000000, -0.0480438900000000, -0.0664792100000000 ]  - [   0.0001027900000000,  0.0001647300000000, -0.0002588600000000 ]  - [   0.0000018100000000, -0.0002998900000000,  0.0002105900000000 ]  - [  -0.0000771300000000, -0.0000617100000000,  0.0002630700000000 ]  - [  -0.0003865600000000,  0.0001314400000000, -0.0000620400000000 ]  - [  -0.0012849300000000, -0.0014932700000000, -0.0040769700000000 ]  - [   0.0003301500000000, -0.0002340600000000, -0.0000283200000000 ]  - [   0.0000460500000000,  0.0000804700000000, -0.0001071700000000 ]  - [  -0.0001102900000000,  0.0001495200000000, -0.0003868300000000 ]  - [  -0.0001984700000000,  0.0004408100000000,  0.0000456900000000 ]  - [   0.0002717600000000,  0.0002480400000000, -0.0000028200000000 ]  - [   0.0003125000000000, -0.0001098200000000, -0.0000370400000000 ]  - [  -0.0009284400000000, -0.0004537100000000,  0.0000593500000000 ]  - [  -0.0000412800000000,  0.0003187900000000,  0.0002732700000000 ]  - [  -0.0000071900000000, -0.0001643200000000, -0.0003274300000000 ]  - [   0.0000360300000000, -0.0003388900000000, -0.0002353300000000 ]  - [   0.0000009200000000,  0.0004812400000000,  0.0000552200000000 ]  - [  -0.0012559200000000, -0.0023723100000000,  0.0015232000000000 ]  - [   0.0002167200000000, -0.0005617200000000,  0.0002728600000000 ]  - [  -0.0000047600000000, -0.0005227200000000,  0.0000391800000000 ]  - [   0.0002377800000000,  0.0003126000000000,  0.0000005900000000 ]  - [  -0.0000460800000000,  0.0002372000000000, -0.0000013200000000 ]  - [  -0.0003236000000000,  0.0000653900000000,  0.0000771200000000 ]  - [  -0.0003167400000000, -0.0001867300000000, -0.0001369600000000 ]  - [  -0.0003278200000000, -0.0003967600000000,  0.0002918200000000 ]  - [   0.0000065500000000, -0.0003789500000000,  0.0000720700000000 ]  - [  -0.0000698100000000,  0.0005433600000000, -0.0004520300000000 ]  - [  -0.0005335200000000,  0.0002563500000000, -0.0003737400000000 ]  - [  -0.0001431300000000, -0.0003575900000000, -0.0002072400000000 ]  - [  -0.0003026300000000, -0.0000185600000000, -0.0001060600000000 ]  - [  -0.0000613800000000,  0.0001139600000000,  0.0002961900000000 ]  - [  -0.0014400300000000, -0.0013920800000000, -0.0008362800000000 ]  - [  -0.0000101500000000, -0.0000040700000000,  0.0004488900000000 ]  - [  -0.0002045800000000,  0.0003484700000000, -0.0000500500000000 ]  - [   0.0000164600000000, -0.0000340200000000,  0.0001822300000000 ]  - [   0.0000067200000000, -0.0003574200000000, -0.0009053800000000 ]  - [  -0.0000209400000000,  0.0003312700000000,  0.0001572400000000 ]  - [   0.0005241800000000,  0.0005965000000000,  0.0001151600000000 ]  - [   0.0004314600000000, -0.0004911000000000, -0.0001125400000000 ]  - [   0.0000243400000000, -0.0001472400000000, -0.0001328800000000 ]  - [   0.0003059500000000,  0.0002132700000000, -0.0002271600000000 ]  - [  -0.0001516300000000, -0.0012593200000000,  0.0001092100000000 ]  - [   0.0001163100000000,  0.0006117800000000, -0.0002557900000000 ]  - [  -0.0001178500000000, -0.0000691600000000, -0.0003678400000000 ]  - [   0.0002803800000000, -0.0000788400000000,  0.0000472100000000 ]  - [   0.0002986800000000, -0.0000411300000000, -0.0001010700000000 ]  - [  -0.0020016300000000, -0.0003600600000000,  0.0026702000000000 ]  - [  -0.0003132500000000, -0.0000395200000000, -0.0000592100000000 ]  - [  -0.0000492900000000,  0.0001037900000000, -0.0002709400000000 ]  - [   0.0032202100000000, -0.0006555200000000, -0.0005334500000000 ]  - [  -0.0001834300000000,  0.0005782200000000,  0.0002980800000000 ]  - [  -0.0000484300000000,  0.0041831700000000,  0.0005294500000000 ]  - [  -0.0001859600000000, -0.0005480900000000, -0.0003255700000000 ]  - [   0.0000012300000000, -0.0000727800000000,  0.0000088400000000 ]  - [   0.0000355100000000,  0.0006539200000000, -0.0001081800000000 ]  - [   0.0000784100000000,  0.0010434100000000, -0.0002245800000000 ]  - [   0.0000353000000000,  0.0000383900000000, -0.0001866000000000 ]  - [  -0.0001798900000000, -0.0002911800000000,  0.0000752000000000 ]  - [   0.0041734800000000, -0.0023495500000000,  0.0012760300000000 ]  - [   0.0019755100000000,  0.0012836600000000, -0.0003300900000000 ]  - [  -0.0000924000000000,  0.0002794500000000,  0.0001697300000000 ]  - [  -0.0000718100000000, -0.0004036200000000,  0.0002447100000000 ]  - [  -0.0000519100000000,  0.0002167000000000, -0.0002365400000000 ]  - [   0.0002885500000000,  0.0007938500000000, -0.0002291200000000 ]  - [   0.0002909000000000, -0.0004622400000000,  0.0000582600000000 ]  - [  -0.0000771700000000,  0.0004333500000000, -0.0000122300000000 ]  - [   0.0001354400000000,  0.0000470000000000,  0.0000886200000000 ]  - [   0.0003446100000000,  0.0002582300000000,  0.0004315000000000 ]  - [  -0.0000660000000000, -0.0008084100000000,  0.0002901000000000 ]  - [   0.0002121100000000, -0.0001227200000000,  0.0003419500000000 ]  - [  -0.0060632000000000,  0.0084314600000000,  0.0012369400000000 ]  - [  -0.0001518400000000,  0.0016829000000000, -0.0002149800000000 ]  - [  -0.0005021700000000,  0.0002065100000000,  0.0002920900000000 ]  - [  -0.0000345900000000,  0.0003431500000000,  0.0004487400000000 ]  - [  -0.0000535000000000,  0.0002039400000000, -0.0000707600000000 ]  - [  -0.0003553600000000,  0.0005491100000000, -0.0003706800000000 ]  - [  -0.0001423000000000,  0.0008170500000000, -0.0002515100000000 ]  - [  -0.0003029800000000,  0.0005737600000000,  0.0000714000000000 ]  - [   0.0014338100000000,  0.0014120900000000,  0.0024990200000000 ]  - [   0.0000614000000000,  0.0002586000000000,  0.0002145200000000 ]  - [  -0.0000131000000000, -0.0000071700000000,  0.0001865400000000 ]  - [  -0.0001409100000000, -0.0003599200000000, -0.0001176700000000 ]  - [   0.0001498200000000, -0.0000381600000000,  0.0002351800000000 ]  - [  -0.0000443100000000,  0.0003486100000000, -0.0002344700000000 ]  - [   0.0001529400000000,  0.0000645200000000,  0.0021889100000000 ]  - [   0.0001108600000000,  0.0001067300000000,  0.0000814200000000 ]  - [   0.0002195600000000,  0.0000267200000000, -0.0000789400000000 ]  - [   0.0006485600000000,  0.0024037700000000, -0.0049612600000000 ]  - [   0.0004101900000000,  0.0001425800000000,  0.0001100700000000 ]  - [  -0.0001412200000000,  0.0002971400000000,  0.0002750900000000 ]  - [   0.0001689800000000, -0.0004254200000000, -0.0001280800000000 ]  - [  -0.0001705200000000,  0.0008211000000000, -0.0007138700000000 ]  - [   0.0006151600000000,  0.0014830100000000,  0.0001716200000000 ]  - [   0.0010397800000000,  0.0012776800000000, -0.0015192400000000 ]  - [  -0.0002970700000000,  0.0002587700000000,  0.0001252800000000 ]  - [  -0.0017875900000000,  0.0012765800000000, -0.0010641900000000 ]- atom:  137  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004636200000000, -0.0046001500000000,  0.0006267300000000 ]  - [  -0.0000822400000000, -0.0003052900000000, -0.0000485500000000 ]  - [   0.0000499800000000,  0.0005623900000000,  0.0000434400000000 ]  - [   0.0002401800000000, -0.0000673000000000, -0.0002414800000000 ]  - [   0.0001472200000000, -0.0001782200000000, -0.0001049800000000 ]  - [  -0.0000489200000000,  0.0001092300000000,  0.0000162700000000 ]  - [  -0.0005193700000000, -0.0006084900000000,  0.0001587900000000 ]  - [   0.0003170300000000, -0.0014734200000000,  0.0002165000000000 ]  - [  -0.0003207700000000,  0.0002004300000000,  0.0001622600000000 ]  - [  -0.0006497600000000, -0.0005859100000000, -0.0000657800000000 ]  - [  -0.0000502000000000,  0.0002775500000000,  0.0001442300000000 ]  - [  -0.0002969000000000, -0.0001149000000000, -0.0002141800000000 ]  - [   0.0000741500000000,  0.0003460100000000, -0.0000426600000000 ]  - [  -0.0004191500000000,  0.0019291400000000, -0.0005130900000000 ]  - [  -0.0000085800000000, -0.0018713400000000,  0.0004945700000000 ]  - [   0.0009587400000000,  0.0012647500000000, -0.0010218800000000 ]  - [   0.0009676000000000,  0.0011216500000000, -0.0001258500000000 ]  - [  -0.0001701600000000, -0.0062512000000000,  0.0014578100000000 ]  - [  -0.0000274000000000,  0.0005741200000000,  0.0001328700000000 ]  - [   0.0001829000000000,  0.0005069700000000,  0.0000742800000000 ]  - [  -0.0012956500000000, -0.0000618700000000,  0.0027509900000000 ]  - [  -0.0000417000000000,  0.0008740700000000, -0.0000727000000000 ]  - [  -0.0000616100000000, -0.0002307400000000,  0.0000339300000000 ]  - [  -0.0018955900000000,  0.0015119800000000, -0.0006097900000000 ]  - [  -0.0001012100000000,  0.0003607100000000, -0.0000138600000000 ]  - [   0.0009471400000000, -0.0012997600000000, -0.0000474800000000 ]  - [   0.0000802100000000, -0.0006281000000000, -0.0000666300000000 ]  - [  -0.0000104100000000, -0.0003747300000000, -0.0000696100000000 ]  - [  -0.0004358700000000,  0.0003130700000000,  0.0003024600000000 ]  - [   0.0001756100000000, -0.0002047000000000,  0.0002293400000000 ]  - [   0.0003249400000000,  0.0009755100000000, -0.0010322000000000 ]  - [  -0.0002598800000000,  0.0002654800000000, -0.0003113700000000 ]  - [   0.0120468000000000, -0.0158424300000000, -0.0001063300000000 ]  - [   0.0001141700000000,  0.0005464700000000, -0.0000740400000000 ]  - [  -0.0002699500000000,  0.0007090700000000,  0.0000435900000000 ]  - [   0.0012271200000000,  0.0026862100000000,  0.0000990700000000 ]  - [  -0.0004480500000000, -0.0004576000000000,  0.0019254500000000 ]  - [   0.0009211600000000,  0.0019928400000000,  0.0009438600000000 ]  - [   0.0002413500000000, -0.0002834400000000, -0.0001407800000000 ]  - [  -0.0022050500000000,  0.0007957200000000, -0.0027805500000000 ]  - [   0.0001355000000000,  0.0002165500000000,  0.0002269000000000 ]  - [  -0.0001360900000000, -0.0001189500000000,  0.0002362200000000 ]  - [  -0.0001526700000000,  0.0000782700000000, -0.0002164700000000 ]  - [   0.0001136500000000, -0.0002269900000000, -0.0002135300000000 ]  - [   0.0000874100000000,  0.0003006500000000,  0.0000150400000000 ]  - [  -0.0003936500000000,  0.0007751800000000, -0.0005658200000000 ]  - [   0.0000090900000000, -0.0003337600000000, -0.0000591400000000 ]  - [  -0.0001883600000000, -0.0002691400000000,  0.0001372900000000 ]  - [   0.0001975900000000,  0.0001113500000000,  0.0001978300000000 ]  - [   0.0002115900000000, -0.0001051500000000, -0.0001615200000000 ]  - [  -0.0002087500000000, -0.0000763300000000,  0.0001791400000000 ]  - [  -0.0002028200000000,  0.0001365800000000, -0.0001780500000000 ]  - [  -0.0001930000000000, -0.0000416000000000, -0.0002623400000000 ]  - [   0.0001532300000000,  0.0003486800000000, -0.0002434400000000 ]  - [   0.0001532000000000, -0.0002634700000000,  0.0001869400000000 ]  - [  -0.0001397000000000,  0.0000638200000000,  0.0002101000000000 ]  - [   0.0000435500000000, -0.0003905300000000, -0.0003993700000000 ]  - [   0.0013650500000000, -0.0003736400000000, -0.0005997800000000 ]  - [  -0.0000923700000000,  0.0002600200000000,  0.0002033200000000 ]  - [   0.0002271800000000,  0.0002245900000000, -0.0000844900000000 ]  - [  -0.0005746100000000, -0.0003179700000000, -0.0001081600000000 ]  - [  -0.0003609100000000,  0.0002735300000000,  0.0002387100000000 ]  - [   0.0002345600000000,  0.0001408300000000, -0.0001721700000000 ]  - [   0.0002342000000000, -0.0001636000000000,  0.0001706700000000 ]  - [   0.0001217700000000,  0.0001296500000000,  0.0001948900000000 ]  - [  -0.0001384600000000,  0.0001799400000000, -0.0001992000000000 ]  - [  -0.0001415900000000, -0.0002103200000000, -0.0000985600000000 ]  - [  -0.0000423700000000, -0.0001950200000000, -0.0003346700000000 ]  - [   0.0001548800000000,  0.0001066600000000,  0.0002253700000000 ]  - [  -0.0001858400000000, -0.0001755000000000,  0.0002428200000000 ]  - [   0.0001661300000000, -0.0001259800000000, -0.0002310600000000 ]  - [  -0.0001726900000000,  0.0001670200000000, -0.0002369300000000 ]  - [   0.0002599100000000,  0.0001750500000000,  0.0000947000000000 ]  - [   0.0002541100000000, -0.0001272200000000, -0.0001567000000000 ]  - [  -0.0002160600000000,  0.0002065100000000, -0.0001402000000000 ]  - [  -0.0002072400000000, -0.0001216400000000,  0.0001708900000000 ]  - [  -0.0001530600000000, -0.0002607600000000, -0.0001201700000000 ]  - [   0.0003272400000000, -0.0002752200000000,  0.0002785700000000 ]  - [   0.0002480400000000,  0.0000387800000000, -0.0001285000000000 ]  - [   0.0008965900000000, -0.0003695400000000, -0.0020130500000000 ]  - [  -0.0001657300000000, -0.0001910600000000, -0.0002415900000000 ]  - [   0.0001523700000000,  0.0001666300000000, -0.0002501900000000 ]  - [  -0.0001846700000000,  0.0002102900000000,  0.0002331600000000 ]  - [   0.0001467200000000, -0.0001457300000000,  0.0002012100000000 ]  - [  -0.0002348200000000, -0.0001900300000000, -0.0001463100000000 ]  - [  -0.0002434800000000,  0.0001537800000000,  0.0001432800000000 ]  - [   0.0001567900000000, -0.0002819900000000,  0.0000100100000000 ]  - [   0.0001032400000000,  0.0002200200000000, -0.0000545800000000 ]  - [  -0.0076568100000000, -0.0135230000000000, -0.0641362800000000 ]  - [   0.0007107900000000, -0.0005601600000000,  0.0007102900000000 ]  - [  -0.0002051500000000,  0.0003357000000000, -0.0001819800000000 ]  - [   0.0000872500000000, -0.0000762900000000, -0.0000830900000000 ]  - [  -0.0000185600000000,  0.0002699600000000,  0.0000935800000000 ]  - [  -0.0002264800000000,  0.0002432000000000, -0.0001681000000000 ]  - [   0.0001482100000000, -0.0001727600000000, -0.0000832600000000 ]  - [  -0.0002059700000000, -0.0000974300000000,  0.0002395400000000 ]  - [   0.0002453800000000,  0.0001817700000000,  0.0000833500000000 ]  - [   0.0002530000000000, -0.0002252600000000, -0.0002264600000000 ]  - [  -0.0005492000000000, -0.0004106600000000, -0.0005134200000000 ]  - [  -0.0002581100000000, -0.0000030700000000, -0.0000672600000000 ]  - [  -0.0002244600000000, -0.0002601800000000, -0.0002166400000000 ]  - [   0.0001641600000000,  0.0000857700000000, -0.0002615200000000 ]  - [   0.0001554700000000, -0.0001029300000000,  0.0002315900000000 ]  - [  -0.0000961200000000,  0.0003245300000000,  0.0001898500000000 ]  - [  -0.0001689800000000, -0.0001907200000000, -0.0001556100000000 ]  - [   0.0001902400000000, -0.0001982200000000,  0.0001240700000000 ]  - [  -0.0000977100000000,  0.0002650200000000,  0.0002515200000000 ]  - [   0.0003614300000000,  0.0002220300000000,  0.0000461100000000 ]  - [  -0.0002254300000000, -0.0001098100000000, -0.0001655800000000 ]  - [  -0.0002425300000000,  0.0001644200000000,  0.0001771700000000 ]  - [   0.0006655800000000,  0.0036625900000000, -0.0002498600000000 ]  - [   0.0003262500000000,  0.0003776800000000,  0.0000491000000000 ]  - [   0.0001949500000000,  0.0003072700000000,  0.0001373500000000 ]  - [  -0.0001150500000000,  0.0003236300000000, -0.0001930100000000 ]  - [  -0.0001666900000000, -0.0002043600000000,  0.0001641400000000 ]  - [   0.0000631800000000, -0.0001571500000000, -0.0002412900000000 ]  - [   0.0001156200000000,  0.0004889200000000,  0.0003095400000000 ]  - [  -0.0003473500000000,  0.0000604600000000,  0.0002638000000000 ]  - [   0.0019897300000000,  0.0011782400000000,  0.0011962500000000 ]  - [  -0.0015753600000000, -0.0010325000000000, -0.0006749900000000 ]  - [   0.0003324500000000,  0.0002187200000000,  0.0002531700000000 ]  - [   0.0003556300000000, -0.0003474400000000, -0.0002818800000000 ]  - [  -0.0002103400000000,  0.0001425000000000, -0.0000874500000000 ]  - [  -0.0001823000000000, -0.0002442700000000, -0.0001047200000000 ]  - [  -0.0000482700000000, -0.0001184600000000,  0.0000207500000000 ]  - [   0.0002155300000000, -0.0001757000000000,  0.0002458900000000 ]  - [   0.0001062700000000,  0.0002844900000000, -0.0001489400000000 ]  - [  -0.0001472100000000,  0.0002679800000000,  0.0001548900000000 ]  - [  -0.0000402400000000, -0.0000570000000000, -0.0002468000000000 ]  - [   0.0001688600000000,  0.0002338500000000, -0.0002473300000000 ]  - [  -0.0000506900000000, -0.0000708700000000,  0.0002344100000000 ]  - [   0.0001061000000000, -0.0001776400000000,  0.0001997000000000 ]  - [  -0.0001642500000000,  0.0005422100000000, -0.0000604800000000 ]  - [  -0.0002618600000000,  0.0008854800000000, -0.0003880500000000 ]  - [   0.0002366100000000, -0.0001061900000000,  0.0001881500000000 ]  - [   0.0002215600000000,  0.0002048300000000, -0.0001586000000000 ]  - [  -0.0068448100000000,  0.0452560900000000,  0.0621304900000000 ]  - [  -0.0000472400000000, -0.0000613200000000, -0.0002412700000000 ]  - [   0.0000571500000000,  0.0001975700000000,  0.0002833400000000 ]  - [   0.0000236000000000,  0.0001681600000000,  0.0002339900000000 ]  - [   0.0002799300000000, -0.0006314900000000,  0.0000047000000000 ]  - [   0.0013740300000000,  0.0009957800000000,  0.0041022700000000 ]  - [  -0.0004279600000000,  0.0007332000000000,  0.0000839000000000 ]  - [   0.0000594400000000,  0.0004192700000000,  0.0000501300000000 ]  - [  -0.0003911000000000, -0.0002077700000000,  0.0002799900000000 ]  - [  -0.0002979900000000, -0.0003845000000000,  0.0000596200000000 ]  - [   0.0002283400000000, -0.0001938300000000, -0.0001057400000000 ]  - [   0.0001904800000000,  0.0000549100000000,  0.0001405500000000 ]  - [   0.0009693600000000,  0.0005677000000000,  0.0004368400000000 ]  - [  -0.0000151900000000, -0.0004267900000000,  0.0002226400000000 ]  - [  -0.0000480300000000,  0.0002690100000000, -0.0001754800000000 ]  - [   0.0000190800000000,  0.0002353300000000, -0.0002632500000000 ]  - [   0.0001029600000000,  0.0000181100000000,  0.0000037500000000 ]  - [   0.0011036600000000,  0.0028854500000000, -0.0015389200000000 ]  - [  -0.0001139400000000,  0.0000672400000000, -0.0003286700000000 ]  - [  -0.0001027600000000,  0.0000234900000000,  0.0000138400000000 ]  - [   0.0002625000000000, -0.0002586100000000,  0.0001026700000000 ]  - [   0.0005423700000000, -0.0002972000000000, -0.0001005300000000 ]  - [  -0.0001785400000000, -0.0001201900000000,  0.0000283800000000 ]  - [  -0.0001865000000000,  0.0002422200000000,  0.0000311900000000 ]  - [   0.0002715500000000, -0.0001073500000000, -0.0003960000000000 ]  - [   0.0000487500000000, -0.0001218300000000,  0.0000345200000000 ]  - [   0.0001283800000000, -0.0000446000000000,  0.0003455300000000 ]  - [   0.0004742900000000,  0.0002385200000000,  0.0004729900000000 ]  - [   0.0000367400000000,  0.0003018600000000, -0.0002867300000000 ]  - [   0.0004058200000000,  0.0000814000000000, -0.0003845500000000 ]  - [  -0.0000432700000000, -0.0000591600000000,  0.0002034200000000 ]  - [   0.0015408400000000,  0.0013323200000000,  0.0013308200000000 ]  - [  -0.0004875400000000, -0.0000991700000000, -0.0005097300000000 ]  - [  -0.0002946000000000, -0.0002440500000000,  0.0001059100000000 ]  - [   0.0004808700000000, -0.0000657400000000, -0.0001233900000000 ]  - [   0.0004862800000000,  0.0004615900000000,  0.0008427500000000 ]  - [   0.0000765300000000,  0.0001611200000000, -0.0000536200000000 ]  - [  -0.0005858200000000, -0.0000968900000000, -0.0002185400000000 ]  - [  -0.0004845600000000, -0.0000122300000000,  0.0002196600000000 ]  - [   0.0000320700000000, -0.0003501700000000,  0.0000294700000000 ]  - [  -0.0001982400000000, -0.0001486100000000,  0.0007243000000000 ]  - [   0.0000460500000000,  0.0011963900000000,  0.0003921600000000 ]  - [  -0.0000128800000000, -0.0006668000000000, -0.0002424000000000 ]  - [   0.0000118200000000,  0.0001255000000000, -0.0001300200000000 ]  - [   0.0002166300000000,  0.0001825300000000,  0.0000097100000000 ]  - [   0.0002045900000000, -0.0000658800000000,  0.0000454200000000 ]  - [   0.0014964900000000,  0.0004537600000000, -0.0027176700000000 ]  - [  -0.0001832900000000, -0.0000644400000000,  0.0001148700000000 ]  - [  -0.0000047300000000, -0.0002104000000000, -0.0002321300000000 ]  - [  -0.0031634900000000,  0.0007771900000000,  0.0000378600000000 ]  - [   0.0002373000000000, -0.0006823100000000,  0.0001986900000000 ]  - [  -0.0000091600000000, -0.0040445500000000, -0.0000285700000000 ]  - [   0.0000807700000000,  0.0000562400000000,  0.0002624300000000 ]  - [   0.0001047700000000, -0.0004288500000000,  0.0000426800000000 ]  - [  -0.0001402300000000, -0.0001601900000000,  0.0001612000000000 ]  - [   0.0000280900000000, -0.0005502200000000,  0.0001645300000000 ]  - [  -0.0005325500000000, -0.0000900800000000,  0.0000815800000000 ]  - [  -0.0003165500000000,  0.0003482000000000,  0.0000261400000000 ]  - [  -0.0036608500000000,  0.0023766100000000, -0.0013829300000000 ]  - [  -0.0014630900000000, -0.0013388400000000,  0.0004294600000000 ]  - [   0.0001460100000000, -0.0001754900000000,  0.0003305700000000 ]  - [   0.0000153300000000,  0.0002974500000000,  0.0002526600000000 ]  - [  -0.0000048000000000, -0.0001142800000000, -0.0002593100000000 ]  - [  -0.0002279600000000, -0.0008959600000000, -0.0002672000000000 ]  - [  -0.0001833100000000,  0.0009560700000000, -0.0000023500000000 ]  - [  -0.0000282300000000,  0.0000641900000000, -0.0000425400000000 ]  - [  -0.0000318000000000, -0.0005449500000000, -0.0001445300000000 ]  - [  -0.0004462900000000, -0.0007533000000000, -0.0003702300000000 ]  - [   0.0005618700000000,  0.0008618100000000, -0.0001848100000000 ]  - [   0.0002837800000000,  0.0000674700000000, -0.0004481400000000 ]  - [   0.0056336900000000, -0.0085456700000000, -0.0011246100000000 ]  - [  -0.0003439300000000, -0.0016226300000000,  0.0001140600000000 ]  - [   0.0004486800000000, -0.0006961300000000, -0.0003963200000000 ]  - [   0.0000927000000000, -0.0008410700000000, -0.0003473700000000 ]  - [   0.0001083700000000,  0.0002934800000000, -0.0000341400000000 ]  - [   0.0002971800000000, -0.0000470900000000,  0.0004745700000000 ]  - [   0.0000375100000000, -0.0008723500000000, -0.0002450600000000 ]  - [   0.0004056800000000, -0.0005189700000000, -0.0005730000000000 ]  - [  -0.0015457400000000, -0.0013661600000000, -0.0020332800000000 ]  - [   0.0000437100000000, -0.0003153000000000,  0.0002831800000000 ]  - [  -0.0004854500000000, -0.0001013000000000, -0.0002403300000000 ]  - [  -0.0003627100000000,  0.0004590800000000,  0.0001751600000000 ]  - [   0.0003465200000000, -0.0000683800000000, -0.0001798900000000 ]  - [   0.0005413900000000, -0.0002435700000000,  0.0001801500000000 ]  - [  -0.0000956600000000,  0.0004294400000000, -0.0020668100000000 ]  - [  -0.0001688400000000,  0.0003895700000000, -0.0001864000000000 ]  - [  -0.0002738000000000, -0.0005256900000000,  0.0001872300000000 ]  - [  -0.0005834800000000, -0.0028942000000000,  0.0048290300000000 ]  - [  -0.0003037000000000, -0.0000903500000000,  0.0003843200000000 ]  - [   0.0000353600000000, -0.0003528800000000,  0.0002240900000000 ]  - [  -0.0000683700000000,  0.0003678100000000, -0.0003706100000000 ]  - [   0.0000663200000000, -0.0007654100000000,  0.0002136200000000 ]  - [  -0.0001208100000000, -0.0013803000000000, -0.0001150500000000 ]  - [  -0.0005410400000000, -0.0013787000000000,  0.0014743700000000 ]  - [  -0.0002022100000000, -0.0001548300000000, -0.0001827500000000 ]  - [   0.0012794000000000, -0.0013803000000000,  0.0011121900000000 ]- atom:  137  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0050429600000000, -0.0025360400000000,  0.0112402300000000 ]  - [  -0.0001707300000000,  0.0000072400000000, -0.0004561400000000 ]  - [  -0.0001428800000000, -0.0001001500000000,  0.0000020900000000 ]  - [   0.0007493800000000,  0.0003438000000000, -0.0002136600000000 ]  - [   0.0000342000000000, -0.0000065400000000, -0.0006175700000000 ]  - [   0.0000203900000000,  0.0000210800000000, -0.0003153100000000 ]  - [   0.0008736700000000, -0.0002036000000000,  0.0006641500000000 ]  - [  -0.0002962700000000, -0.0003173500000000, -0.0019094000000000 ]  - [   0.0001780600000000, -0.0002041600000000, -0.0000653900000000 ]  - [  -0.0008969300000000,  0.0000206200000000, -0.0001043500000000 ]  - [  -0.0000140900000000,  0.0000194500000000, -0.0008642200000000 ]  - [  -0.0001183300000000,  0.0000238000000000, -0.0008293400000000 ]  - [   0.0000632600000000,  0.0000467000000000, -0.0001819900000000 ]  - [  -0.0000326800000000,  0.0001901500000000,  0.0004894100000000 ]  - [  -0.0011861800000000, -0.0013451000000000, -0.0018391600000000 ]  - [   0.0006356900000000,  0.0010270800000000, -0.0001024100000000 ]  - [   0.0001764600000000,  0.0001693400000000,  0.0009266600000000 ]  - [   0.0005358800000000,  0.0037196600000000,  0.0048034000000000 ]  - [   0.0000106400000000,  0.0000166900000000, -0.0004136600000000 ]  - [  -0.0000439200000000, -0.0000702600000000,  0.0001677800000000 ]  - [   0.0009599300000000, -0.0015972800000000, -0.0011054100000000 ]  - [  -0.0001794700000000,  0.0003610000000000, -0.0000691800000000 ]  - [  -0.0000499100000000,  0.0000000400000000,  0.0004710700000000 ]  - [   0.0000629300000000,  0.0000726400000000,  0.0006594900000000 ]  - [  -0.0000200500000000,  0.0000429700000000, -0.0003458900000000 ]  - [   0.0001730400000000,  0.0001070800000000,  0.0014576500000000 ]  - [   0.0001843600000000, -0.0001116200000000, -0.0015634000000000 ]  - [  -0.0000237700000000, -0.0000676600000000, -0.0007359000000000 ]  - [   0.0001907100000000, -0.0002423300000000,  0.0000117100000000 ]  - [  -0.0002655900000000, -0.0002508000000000, -0.0002305700000000 ]  - [   0.0001571600000000,  0.0014019600000000, -0.0004251300000000 ]  - [  -0.0002452700000000,  0.0001896800000000, -0.0001094800000000 ]  - [   0.0139204500000000, -0.0048069200000000,  0.0147941800000000 ]  - [   0.0000184200000000,  0.0001009000000000, -0.0005115600000000 ]  - [  -0.0000178300000000, -0.0000033200000000,  0.0003826100000000 ]  - [  -0.0000666700000000, -0.0000612800000000,  0.0005223000000000 ]  - [   0.0003263100000000, -0.0013905400000000, -0.0009691900000000 ]  - [  -0.0006959300000000, -0.0017605200000000, -0.0003121200000000 ]  - [   0.0003343700000000,  0.0002610000000000,  0.0000704500000000 ]  - [  -0.0015268400000000,  0.0022980400000000, -0.0013263100000000 ]  - [   0.0001447100000000,  0.0001746200000000,  0.0002171300000000 ]  - [  -0.0001589400000000, -0.0001876100000000,  0.0002110000000000 ]  - [  -0.0000537200000000,  0.0001585400000000, -0.0002719500000000 ]  - [   0.0001461800000000, -0.0001802800000000, -0.0002486000000000 ]  - [   0.0000293400000000,  0.0003454900000000, -0.0000823500000000 ]  - [   0.0000157200000000,  0.0005410300000000,  0.0014876800000000 ]  - [   0.0002547900000000, -0.0002644100000000, -0.0001982000000000 ]  - [  -0.0001234700000000, -0.0002415600000000,  0.0000775800000000 ]  - [   0.0002312400000000,  0.0001467300000000,  0.0002083400000000 ]  - [   0.0002355200000000, -0.0001541600000000, -0.0001245600000000 ]  - [  -0.0002427900000000, -0.0001634400000000,  0.0000717300000000 ]  - [  -0.0002072300000000,  0.0001710900000000, -0.0003839500000000 ]  - [  -0.0001819800000000, -0.0001198700000000, -0.0002668000000000 ]  - [   0.0001458000000000,  0.0001853000000000, -0.0002628100000000 ]  - [   0.0001146500000000, -0.0001445600000000,  0.0001080700000000 ]  - [  -0.0000299100000000,  0.0001345500000000,  0.0001326200000000 ]  - [  -0.0000502600000000, -0.0001931300000000, -0.0004909800000000 ]  - [   0.0014723300000000,  0.0005266300000000, -0.0002940100000000 ]  - [  -0.0002078200000000,  0.0002241600000000,  0.0001704400000000 ]  - [   0.0001261300000000,  0.0002301600000000, -0.0001703900000000 ]  - [  -0.0003699600000000, -0.0000578000000000,  0.0002746100000000 ]  - [  -0.0001964400000000,  0.0000499700000000,  0.0003682400000000 ]  - [   0.0002292000000000,  0.0001374100000000, -0.0002198800000000 ]  - [   0.0002347200000000, -0.0001434900000000,  0.0001059000000000 ]  - [   0.0002823000000000,  0.0002328300000000,  0.0000337000000000 ]  - [  -0.0000809200000000,  0.0002095500000000, -0.0001965700000000 ]  - [  -0.0001354900000000, -0.0000925900000000, -0.0002850000000000 ]  - [  -0.0002388800000000, -0.0000826800000000, -0.0002958100000000 ]  - [   0.0002077500000000,  0.0001292800000000,  0.0001781000000000 ]  - [  -0.0001690500000000, -0.0001376700000000,  0.0001892500000000 ]  - [   0.0001592300000000, -0.0001465400000000, -0.0002585600000000 ]  - [  -0.0001608900000000,  0.0001431900000000, -0.0002563000000000 ]  - [   0.0001971900000000,  0.0001597400000000,  0.0001337800000000 ]  - [   0.0002618800000000, -0.0001308200000000, -0.0002275700000000 ]  - [  -0.0002245300000000,  0.0001552800000000, -0.0000994400000000 ]  - [  -0.0002273400000000, -0.0001661300000000,  0.0001615500000000 ]  - [  -0.0001508300000000, -0.0002294800000000, -0.0001845500000000 ]  - [  -0.0000095200000000, -0.0002289100000000,  0.0001936900000000 ]  - [   0.0002993900000000,  0.0002566200000000, -0.0004388000000000 ]  - [   0.0006918200000000,  0.0001753100000000, -0.0023602500000000 ]  - [  -0.0001778900000000, -0.0004471900000000, -0.0001827300000000 ]  - [   0.0001137600000000,  0.0002058000000000, -0.0002985000000000 ]  - [  -0.0001957500000000,  0.0001423200000000,  0.0001807900000000 ]  - [   0.0001791100000000, -0.0001568900000000,  0.0001621300000000 ]  - [  -0.0002319600000000, -0.0001830200000000, -0.0001841500000000 ]  - [  -0.0002371200000000,  0.0001668200000000,  0.0001146800000000 ]  - [   0.0001815700000000, -0.0000216800000000,  0.0004996300000000 ]  - [   0.0001519400000000,  0.0002057200000000, -0.0000684100000000 ]  - [   0.0756127200000000,  0.0671112000000000,  0.4307493400000000 ]  - [  -0.0009265300000000, -0.0005646600000000, -0.0000433200000000 ]  - [  -0.0001149000000000,  0.0001827600000000, -0.0002114400000000 ]  - [   0.0001312600000000, -0.0001203100000000, -0.0002032400000000 ]  - [   0.0001028300000000,  0.0002604600000000,  0.0001780700000000 ]  - [  -0.0002109200000000,  0.0002556300000000, -0.0001676400000000 ]  - [   0.0001997900000000, -0.0002595400000000, -0.0001555300000000 ]  - [  -0.0001431100000000, -0.0002580100000000,  0.0001653900000000 ]  - [   0.0002425400000000,  0.0001860500000000,  0.0000092800000000 ]  - [   0.0002144200000000, -0.0001732600000000, -0.0004193800000000 ]  - [   0.0002664500000000,  0.0010568200000000,  0.0009421100000000 ]  - [  -0.0002372500000000,  0.0001149800000000, -0.0000659500000000 ]  - [  -0.0005092200000000, -0.0000532100000000, -0.0002513300000000 ]  - [   0.0001767400000000,  0.0001712000000000, -0.0002313300000000 ]  - [   0.0001430300000000, -0.0001510700000000,  0.0002473400000000 ]  - [  -0.0001249000000000,  0.0001631400000000,  0.0002486600000000 ]  - [  -0.0001410500000000, -0.0002119000000000, -0.0001259200000000 ]  - [   0.0001975400000000, -0.0002097500000000,  0.0001140400000000 ]  - [  -0.0001914400000000,  0.0001964300000000,  0.0000728900000000 ]  - [   0.0001366000000000,  0.0001787400000000, -0.0001327900000000 ]  - [  -0.0002221300000000, -0.0001359500000000, -0.0002222200000000 ]  - [  -0.0002322400000000,  0.0001531000000000,  0.0000912800000000 ]  - [   0.0002493300000000, -0.0003581900000000,  0.0006788600000000 ]  - [   0.0001803000000000, -0.0000928700000000,  0.0003349500000000 ]  - [   0.0001484900000000,  0.0002294300000000,  0.0001815700000000 ]  - [  -0.0001760400000000,  0.0002415600000000, -0.0001195500000000 ]  - [  -0.0001527800000000, -0.0002209900000000,  0.0001809700000000 ]  - [   0.0001502500000000, -0.0002241300000000, -0.0001350300000000 ]  - [   0.0001647000000000,  0.0001966700000000,  0.0002732700000000 ]  - [  -0.0001381000000000, -0.0002444700000000,  0.0002854700000000 ]  - [  -0.0007902400000000, -0.0015386200000000, -0.0001399300000000 ]  - [  -0.0019747900000000,  0.0001886900000000, -0.0002097500000000 ]  - [   0.0001635300000000, -0.0000629300000000,  0.0001564400000000 ]  - [   0.0002532600000000, -0.0000140000000000,  0.0002092100000000 ]  - [  -0.0002532100000000,  0.0001281900000000, -0.0002788500000000 ]  - [  -0.0001957100000000, -0.0001476700000000, -0.0001091600000000 ]  - [  -0.0001456300000000, -0.0002186400000000, -0.0001234400000000 ]  - [   0.0001567000000000, -0.0002400900000000,  0.0001451300000000 ]  - [   0.0001286600000000,  0.0002349400000000, -0.0001802900000000 ]  - [  -0.0001402900000000,  0.0002362800000000,  0.0001579900000000 ]  - [  -0.0001803800000000, -0.0001359600000000, -0.0001970800000000 ]  - [   0.0001829000000000,  0.0001372800000000, -0.0002037900000000 ]  - [  -0.0003339800000000,  0.0001942300000000,  0.0002427900000000 ]  - [   0.0001330000000000, -0.0001290200000000,  0.0002655400000000 ]  - [  -0.0001981600000000, -0.0002562000000000, -0.0000190300000000 ]  - [  -0.0002792800000000,  0.0005084800000000,  0.0003987400000000 ]  - [   0.0002334600000000, -0.0001765400000000,  0.0000925300000000 ]  - [   0.0002276100000000,  0.0002043800000000, -0.0002294600000000 ]  - [  -0.0860076100000000, -0.0613209200000000, -0.4659847000000000 ]  - [   0.0000154600000000,  0.0000616000000000, -0.0000816200000000 ]  - [  -0.0000792200000000, -0.0000171100000000,  0.0006250400000000 ]  - [  -0.0000045600000000,  0.0000689200000000,  0.0004732900000000 ]  - [   0.0000860200000000, -0.0003318800000000, -0.0002196100000000 ]  - [   0.0039993000000000, -0.0048138100000000,  0.0058241400000000 ]  - [  -0.0017771100000000,  0.0003494500000000, -0.0005487700000000 ]  - [   0.0000026800000000,  0.0002767600000000,  0.0002868600000000 ]  - [  -0.0003318400000000, -0.0001513400000000,  0.0003267300000000 ]  - [  -0.0002743900000000,  0.0000127400000000, -0.0001149700000000 ]  - [   0.0002893200000000,  0.0000387500000000,  0.0001232700000000 ]  - [   0.0001394100000000,  0.0000005900000000,  0.0004621600000000 ]  - [   0.0004439900000000, -0.0001328400000000, -0.0006552300000000 ]  - [  -0.0000042200000000, -0.0000791400000000,  0.0004918200000000 ]  - [  -0.0000213800000000,  0.0001279200000000,  0.0004267400000000 ]  - [   0.0000234700000000, -0.0000399000000000,  0.0002781100000000 ]  - [   0.0000397300000000,  0.0002497400000000, -0.0000799300000000 ]  - [  -0.0058886500000000,  0.0012200900000000,  0.0004771400000000 ]  - [  -0.0000451200000000, -0.0001658800000000, -0.0002567000000000 ]  - [   0.0002392400000000, -0.0001697500000000,  0.0004085600000000 ]  - [   0.0002489600000000, -0.0000242600000000,  0.0002832300000000 ]  - [   0.0001710600000000,  0.0000887100000000, -0.0003262100000000 ]  - [  -0.0002259000000000, -0.0000227300000000,  0.0002399300000000 ]  - [  -0.0002341400000000,  0.0000640700000000,  0.0002412600000000 ]  - [  -0.0003981300000000, -0.0000610500000000,  0.0003978700000000 ]  - [  -0.0000159200000000, -0.0001504100000000,  0.0000106700000000 ]  - [   0.0001301600000000, -0.0001974100000000,  0.0005380900000000 ]  - [   0.0003293900000000, -0.0000994400000000,  0.0003496100000000 ]  - [  -0.0000593100000000, -0.0000603400000000, -0.0001823900000000 ]  - [  -0.0002689500000000,  0.0002587100000000, -0.0001214000000000 ]  - [  -0.0000189500000000,  0.0001038700000000,  0.0003054100000000 ]  - [   0.0023066700000000, -0.0008314300000000,  0.0016580600000000 ]  - [  -0.0000554800000000,  0.0001833900000000,  0.0005872100000000 ]  - [  -0.0002706700000000, -0.0002412300000000,  0.0004887700000000 ]  - [   0.0002092900000000,  0.0000453800000000, -0.0001668000000000 ]  - [   0.0003943800000000, -0.0000561300000000,  0.0009864000000000 ]  - [   0.0000254400000000,  0.0002959900000000,  0.0001384400000000 ]  - [   0.0004836400000000,  0.0004693900000000, -0.0002941600000000 ]  - [  -0.0005075400000000, -0.0004749300000000,  0.0004001700000000 ]  - [  -0.0000410800000000, -0.0003459900000000,  0.0000483800000000 ]  - [  -0.0004219000000000, -0.0014114600000000,  0.0020717200000000 ]  - [   0.0000903900000000,  0.0009220700000000,  0.0014029800000000 ]  - [   0.0001723300000000,  0.0000581500000000, -0.0002272600000000 ]  - [  -0.0000617100000000, -0.0000192700000000, -0.0002295100000000 ]  - [   0.0002761000000000,  0.0000855600000000,  0.0002748200000000 ]  - [   0.0002021300000000, -0.0001191500000000,  0.0001610900000000 ]  - [  -0.0012473000000000,  0.0018088200000000, -0.0001171600000000 ]  - [  -0.0001980400000000, -0.0001007500000000,  0.0002565200000000 ]  - [  -0.0000383000000000, -0.0000746500000000, -0.0001303600000000 ]  - [   0.0007244400000000,  0.0003366100000000, -0.0020543600000000 ]  - [   0.0000260600000000, -0.0001033400000000,  0.0000159600000000 ]  - [  -0.0000681800000000,  0.0003226100000000,  0.0002203300000000 ]  - [   0.0002315700000000, -0.0002764000000000,  0.0009072800000000 ]  - [   0.0000755000000000, -0.0002883200000000,  0.0001473700000000 ]  - [  -0.0001144400000000,  0.0001378800000000,  0.0002522500000000 ]  - [  -0.0000146300000000,  0.0002128300000000, -0.0003324700000000 ]  - [  -0.0002777400000000, -0.0000939100000000, -0.0003558500000000 ]  - [  -0.0002120100000000,  0.0000122000000000,  0.0008492200000000 ]  - [   0.0047845900000000,  0.0022225600000000, -0.0013166900000000 ]  - [   0.0003478000000000, -0.0000313100000000, -0.0004285500000000 ]  - [   0.0000605700000000, -0.0000248400000000,  0.0004826300000000 ]  - [  -0.0001862100000000, -0.0000487600000000, -0.0001560700000000 ]  - [  -0.0000179700000000,  0.0000416000000000, -0.0003920900000000 ]  - [   0.0000162000000000, -0.0000343600000000, -0.0004050800000000 ]  - [  -0.0002563200000000,  0.0004554100000000,  0.0012378000000000 ]  - [  -0.0001259200000000,  0.0002253500000000,  0.0001470500000000 ]  - [   0.0001185500000000, -0.0002332200000000,  0.0002333600000000 ]  - [  -0.0000178700000000, -0.0002082900000000, -0.0001197700000000 ]  - [   0.0004592300000000,  0.0000907500000000, -0.0006567700000000 ]  - [   0.0002079300000000,  0.0000015700000000,  0.0004525600000000 ]  - [  -0.0012342800000000,  0.0010831800000000, -0.0025598900000000 ]  - [  -0.0001649600000000, -0.0000164100000000, -0.0003692200000000 ]  - [  -0.0002005400000000, -0.0000527600000000, -0.0001961200000000 ]  - [  -0.0001035900000000,  0.0002023100000000,  0.0003488400000000 ]  - [   0.0000937900000000,  0.0001549800000000, -0.0001816900000000 ]  - [   0.0004521900000000, -0.0000987600000000,  0.0000597100000000 ]  - [  -0.0000133000000000, -0.0003054300000000, -0.0001847800000000 ]  - [  -0.0000858100000000,  0.0003803500000000, -0.0001307800000000 ]  - [   0.0010321900000000,  0.0027369800000000,  0.0016684400000000 ]  - [   0.0000986000000000, -0.0001078000000000,  0.0003040400000000 ]  - [  -0.0000584600000000,  0.0001842500000000, -0.0001298300000000 ]  - [  -0.0004006300000000, -0.0001868000000000, -0.0004656800000000 ]  - [   0.0002152000000000,  0.0001803200000000,  0.0005734600000000 ]  - [   0.0002649500000000,  0.0000089900000000, -0.0002080900000000 ]  - [   0.0000798900000000,  0.0008750500000000, -0.0001291500000000 ]  - [   0.0002024700000000,  0.0005268300000000,  0.0002218600000000 ]  - [  -0.0002947000000000, -0.0005292000000000, -0.0000876500000000 ]  - [  -0.0003274900000000, -0.0035734800000000,  0.0025781000000000 ]  - [  -0.0000834300000000, -0.0000656700000000,  0.0001923800000000 ]  - [  -0.0000783800000000,  0.0000033100000000,  0.0002244600000000 ]  - [   0.0005140600000000,  0.0000444100000000, -0.0000722800000000 ]  - [   0.0000668900000000, -0.0005682100000000, -0.0000706500000000 ]  - [   0.0003253500000000,  0.0004231500000000, -0.0005614700000000 ]  - [   0.0000732300000000, -0.0015862200000000, -0.0004500500000000 ]  - [  -0.0002868200000000,  0.0000998700000000,  0.0001408400000000 ]  - [  -0.0000652200000000, -0.0008397200000000, -0.0007730100000000 ]- atom:  137  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0046855100000000,  0.0023844900000000, -0.0108346000000000 ]  - [   0.0001740500000000, -0.0000064800000000,  0.0004609900000000 ]  - [   0.0001458100000000,  0.0001008500000000, -0.0000071100000000 ]  - [  -0.0007414500000000, -0.0003368400000000,  0.0002166100000000 ]  - [  -0.0000338400000000,  0.0000063500000000,  0.0006179500000000 ]  - [  -0.0000180700000000, -0.0000220600000000,  0.0003129200000000 ]  - [  -0.0008637200000000,  0.0002038800000000, -0.0006666800000000 ]  - [   0.0002998000000000,  0.0003276600000000,  0.0019238300000000 ]  - [  -0.0001771300000000,  0.0002029200000000,  0.0000675000000000 ]  - [   0.0009047800000000, -0.0000226300000000,  0.0001045600000000 ]  - [   0.0000096600000000, -0.0000201400000000,  0.0008616700000000 ]  - [   0.0001211900000000, -0.0000268600000000,  0.0008306500000000 ]  - [  -0.0000623100000000, -0.0000475600000000,  0.0001794900000000 ]  - [   0.0000318100000000, -0.0001951700000000, -0.0004922700000000 ]  - [   0.0011750900000000,  0.0013483200000000,  0.0018485700000000 ]  - [  -0.0006439700000000, -0.0010375700000000,  0.0001017500000000 ]  - [  -0.0001784600000000, -0.0001646600000000, -0.0009280700000000 ]  - [  -0.0005664400000000, -0.0037737300000000, -0.0048709700000000 ]  - [  -0.0000125200000000, -0.0000186300000000,  0.0004164400000000 ]  - [   0.0000455200000000,  0.0000711200000000, -0.0001651500000000 ]  - [  -0.0009749100000000,  0.0016128400000000,  0.0010981300000000 ]  - [   0.0001783100000000, -0.0003611500000000,  0.0000710100000000 ]  - [   0.0000530800000000, -0.0000008300000000, -0.0004714400000000 ]  - [  -0.0000512100000000, -0.0000795400000000, -0.0006543500000000 ]  - [   0.0000213900000000, -0.0000437700000000,  0.0003465300000000 ]  - [  -0.0001632100000000, -0.0001056400000000, -0.0014554700000000 ]  - [  -0.0001915600000000,  0.0001130900000000,  0.0015706400000000 ]  - [   0.0000277500000000,  0.0000688500000000,  0.0007366900000000 ]  - [  -0.0001865400000000,  0.0002399800000000, -0.0000155700000000 ]  - [   0.0002708200000000,  0.0002533600000000,  0.0002339100000000 ]  - [  -0.0001632700000000, -0.0013936300000000,  0.0004276800000000 ]  - [   0.0002476300000000, -0.0001906500000000,  0.0001118100000000 ]  - [  -0.0139434800000000,  0.0048108500000000, -0.0149919500000000 ]  - [  -0.0000199100000000, -0.0001033900000000,  0.0005131400000000 ]  - [   0.0000187000000000,  0.0000005500000000, -0.0003827000000000 ]  - [   0.0000687900000000,  0.0000614100000000, -0.0005260700000000 ]  - [  -0.0003302900000000,  0.0013839800000000,  0.0009695600000000 ]  - [   0.0006928600000000,  0.0017637900000000,  0.0003084600000000 ]  - [  -0.0003332700000000, -0.0002598000000000, -0.0000745800000000 ]  - [   0.0015459900000000, -0.0023241900000000,  0.0013426500000000 ]  - [   0.0001428300000000,  0.0001631600000000,  0.0002445800000000 ]  - [  -0.0001286200000000, -0.0001504200000000,  0.0002503600000000 ]  - [  -0.0002336700000000,  0.0001790600000000, -0.0001883000000000 ]  - [   0.0001411800000000, -0.0001572600000000, -0.0002111300000000 ]  - [   0.0003074400000000,  0.0001118600000000,  0.0003693700000000 ]  - [  -0.0003507100000000, -0.0000947500000000, -0.0017680500000000 ]  - [   0.0000838500000000, -0.0001983800000000, -0.0000904300000000 ]  - [  -0.0002135300000000, -0.0002173100000000,  0.0002092900000000 ]  - [   0.0002295900000000,  0.0001405100000000,  0.0001289800000000 ]  - [   0.0002255900000000, -0.0001334900000000, -0.0002134200000000 ]  - [  -0.0002175800000000, -0.0001235600000000,  0.0002655600000000 ]  - [  -0.0002525200000000,  0.0001160900000000,  0.0000457100000000 ]  - [  -0.0001050300000000, -0.0002185800000000, -0.0001939700000000 ]  - [   0.0001407900000000,  0.0001512300000000, -0.0001970300000000 ]  - [   0.0001720800000000, -0.0001942800000000,  0.0003558700000000 ]  - [  -0.0002571200000000,  0.0002019900000000,  0.0003235000000000 ]  - [  -0.0002910000000000, -0.0002680200000000,  0.0002068500000000 ]  - [  -0.0011549300000000, -0.0009915600000000,  0.0005835700000000 ]  - [  -0.0001290800000000,  0.0002341400000000,  0.0001160500000000 ]  - [   0.0002116800000000,  0.0002314900000000, -0.0001174300000000 ]  - [  -0.0000866800000000, -0.0002303700000000, -0.0006138400000000 ]  - [  -0.0002637100000000,  0.0002361800000000, -0.0000311600000000 ]  - [   0.0002339700000000,  0.0001500600000000, -0.0001184000000000 ]  - [   0.0002273200000000, -0.0001442000000000,  0.0002317000000000 ]  - [   0.0000058900000000,  0.0002302100000000,  0.0003040000000000 ]  - [  -0.0002057800000000,  0.0002530500000000, -0.0001417900000000 ]  - [  -0.0001519000000000, -0.0003648200000000,  0.0006231800000000 ]  - [   0.0005258600000000, -0.0003788400000000, -0.0000405100000000 ]  - [   0.0001296700000000,  0.0001576800000000,  0.0002815600000000 ]  - [  -0.0001685900000000, -0.0001489200000000,  0.0002688500000000 ]  - [   0.0001786100000000, -0.0001410800000000, -0.0002031300000000 ]  - [  -0.0001770400000000,  0.0001439500000000, -0.0002048300000000 ]  - [   0.0002631000000000,  0.0001781600000000,  0.0001533900000000 ]  - [   0.0001972000000000, -0.0002064000000000, -0.0000599000000000 ]  - [  -0.0002365200000000,  0.0001828800000000, -0.0001879300000000 ]  - [  -0.0002339400000000, -0.0001717100000000,  0.0001253900000000 ]  - [  -0.0001359200000000, -0.0002287700000000, -0.0001531700000000 ]  - [   0.0002973000000000, -0.0002317300000000,  0.0001444100000000 ]  - [  -0.0000135200000000,  0.0002069500000000,  0.0000988500000000 ]  - [  -0.0010005300000000,  0.0002658600000000,  0.0027382600000000 ]  - [  -0.0001601200000000,  0.0001581300000000, -0.0002781700000000 ]  - [   0.0002230000000000,  0.0000814300000000, -0.0001638500000000 ]  - [  -0.0001421800000000,  0.0001448700000000,  0.0002803600000000 ]  - [   0.0001584800000000, -0.0001304200000000,  0.0002981800000000 ]  - [  -0.0002272800000000, -0.0001549400000000, -0.0001031400000000 ]  - [  -0.0002266300000000,  0.0001712800000000,  0.0001728000000000 ]  - [   0.0002743200000000, -0.0003144100000000, -0.0002125800000000 ]  - [   0.0003129500000000,  0.0001313600000000, -0.0002187700000000 ]  - [  -0.0830854300000000, -0.0728687900000000, -0.4616087800000000 ]  - [   0.0006444600000000,  0.0002322700000000,  0.0005018600000000 ]  - [  -0.0001727900000000,  0.0001546600000000, -0.0002478100000000 ]  - [   0.0001560400000000, -0.0002185600000000, -0.0002602800000000 ]  - [   0.0002356500000000,  0.0002006700000000,  0.0001087500000000 ]  - [  -0.0001264400000000,  0.0002054300000000, -0.0001200700000000 ]  - [   0.0001373700000000, -0.0002003100000000, -0.0001323200000000 ]  - [  -0.0001942500000000, -0.0002002400000000,  0.0001208300000000 ]  - [   0.0002176400000000,  0.0001001000000000,  0.0003292400000000 ]  - [   0.0002457900000000, -0.0001142600000000,  0.0000820100000000 ]  - [  -0.0007164400000000, -0.0013487300000000, -0.0006190100000000 ]  - [  -0.0002235600000000,  0.0001731100000000, -0.0002726600000000 ]  - [   0.0002235500000000, -0.0002859000000000, -0.0002079300000000 ]  - [   0.0001119800000000,  0.0001667600000000, -0.0002311000000000 ]  - [   0.0001444300000000, -0.0001874800000000,  0.0002140500000000 ]  - [  -0.0001618500000000,  0.0001737600000000,  0.0002086300000000 ]  - [  -0.0001970300000000, -0.0002515400000000, -0.0001616000000000 ]  - [   0.0001397600000000, -0.0002480400000000,  0.0001727100000000 ]  - [  -0.0001463600000000,  0.0002618200000000,  0.0002143900000000 ]  - [   0.0002008100000000,  0.0002815700000000, -0.0001539300000000 ]  - [  -0.0002402500000000, -0.0001517900000000, -0.0001160700000000 ]  - [  -0.0002292700000000,  0.0001341600000000,  0.0002464200000000 ]  - [   0.0002091600000000,  0.0006383200000000, -0.0010222500000000 ]  - [   0.0002783700000000, -0.0001949400000000,  0.0000032700000000 ]  - [   0.0001384000000000,  0.0002288900000000,  0.0001555200000000 ]  - [  -0.0001119900000000,  0.0002209100000000, -0.0002193000000000 ]  - [  -0.0001346400000000, -0.0002406500000000,  0.0001565100000000 ]  - [   0.0001370100000000, -0.0002375100000000, -0.0002033400000000 ]  - [   0.0001721100000000,  0.0000907900000000,  0.0001885100000000 ]  - [  -0.0002013000000000, -0.0000434100000000,  0.0001770600000000 ]  - [   0.0011308400000000,  0.0012756700000000, -0.0003124200000000 ]  - [   0.0016772900000000,  0.0000920700000000, -0.0002334300000000 ]  - [   0.0002994500000000,  0.0004037700000000,  0.0001311100000000 ]  - [   0.0002091400000000, -0.0003223400000000, -0.0004988700000000 ]  - [  -0.0002082000000000,  0.0002090500000000, -0.0000082500000000 ]  - [  -0.0002633800000000, -0.0001902200000000,  0.0003975100000000 ]  - [  -0.0001409600000000, -0.0002408000000000, -0.0002130800000000 ]  - [   0.0001298100000000, -0.0002197300000000,  0.0001928800000000 ]  - [   0.0001589600000000,  0.0002281600000000, -0.0001579500000000 ]  - [  -0.0001468300000000,  0.0002237300000000,  0.0001798500000000 ]  - [  -0.0001567400000000, -0.0001511500000000, -0.0002625300000000 ]  - [   0.0001557800000000,  0.0001502800000000, -0.0002613200000000 ]  - [  -0.0000007000000000,  0.0000922700000000,  0.0002175300000000 ]  - [   0.0002063100000000, -0.0001587700000000,  0.0001963300000000 ]  - [  -0.0002648600000000, -0.0000846100000000, -0.0002696400000000 ]  - [  -0.0001834200000000, -0.0001742000000000, -0.0001087400000000 ]  - [   0.0002304400000000, -0.0001619800000000,  0.0001948100000000 ]  - [   0.0002331200000000,  0.0001334300000000, -0.0000577200000000 ]  - [   0.0940733300000000,  0.0675377000000000,  0.4966337400000000 ]  - [   0.0000401300000000,  0.0000421500000000, -0.0004193100000000 ]  - [   0.0001400100000000, -0.0000855000000000, -0.0001312700000000 ]  - [  -0.0000500900000000,  0.0000367100000000,  0.0000218600000000 ]  - [  -0.0001909300000000, -0.0001681400000000,  0.0001631300000000 ]  - [  -0.0038392100000000,  0.0042840400000000, -0.0057268900000000 ]  - [   0.0016619800000000,  0.0001508500000000,  0.0006009600000000 ]  - [   0.0001011800000000,  0.0002228700000000, -0.0003425100000000 ]  - [  -0.0001679500000000,  0.0000954500000000, -0.0004343200000000 ]  - [  -0.0002218000000000,  0.0000424200000000,  0.0002197500000000 ]  - [   0.0002140800000000,  0.0000163200000000, -0.0002311400000000 ]  - [   0.0003610300000000, -0.0000569100000000, -0.0003569100000000 ]  - [  -0.0003975900000000,  0.0002403600000000,  0.0011525500000000 ]  - [  -0.0000528800000000, -0.0000273400000000,  0.0000039400000000 ]  - [  -0.0000328600000000, -0.0000245300000000, -0.0009297900000000 ]  - [   0.0000295300000000, -0.0000637200000000, -0.0007769500000000 ]  - [   0.0000631200000000,  0.0002495200000000,  0.0001378000000000 ]  - [   0.0058110200000000, -0.0007339500000000, -0.0004790400000000 ]  - [   0.0001462500000000, -0.0003304600000000,  0.0001993600000000 ]  - [  -0.0003481900000000, -0.0003296800000000, -0.0003567500000000 ]  - [   0.0002493600000000,  0.0000784500000000, -0.0001817400000000 ]  - [   0.0003260600000000, -0.0001454400000000,  0.0002240000000000 ]  - [  -0.0002787200000000, -0.0000319300000000, -0.0001353800000000 ]  - [  -0.0002696600000000, -0.0000087900000000, -0.0003482000000000 ]  - [   0.0003422400000000, -0.0004423600000000, -0.0005031400000000 ]  - [   0.0000689700000000, -0.0003484100000000,  0.0000956900000000 ]  - [  -0.0000697900000000,  0.0006950700000000, -0.0006456800000000 ]  - [  -0.0003901700000000,  0.0005990000000000, -0.0002502600000000 ]  - [  -0.0000474700000000,  0.0000042100000000, -0.0003153400000000 ]  - [   0.0003721500000000, -0.0001989300000000, -0.0003697700000000 ]  - [  -0.0000861400000000, -0.0000480800000000,  0.0001931000000000 ]  - [  -0.0022288800000000,  0.0007828200000000, -0.0011872100000000 ]  - [  -0.0004418200000000, -0.0002883200000000, -0.0006452600000000 ]  - [  -0.0002290400000000,  0.0003423700000000, -0.0004314900000000 ]  - [   0.0002832700000000, -0.0001476400000000,  0.0002264800000000 ]  - [   0.0000996700000000,  0.0001621900000000, -0.0010545400000000 ]  - [   0.0000302400000000,  0.0001947200000000, -0.0000353100000000 ]  - [  -0.0005422300000000,  0.0000279800000000,  0.0001896400000000 ]  - [   0.0004567900000000, -0.0000270900000000, -0.0002943800000000 ]  - [   0.0000962300000000, -0.0001530400000000, -0.0001524500000000 ]  - [   0.0005272400000000,  0.0014563600000000, -0.0015551900000000 ]  - [  -0.0001898700000000, -0.0009734100000000, -0.0008971100000000 ]  - [  -0.0000680700000000, -0.0001130100000000, -0.0002678500000000 ]  - [  -0.0000466000000000,  0.0000749500000000, -0.0002694200000000 ]  - [   0.0002223400000000,  0.0000189800000000, -0.0002192100000000 ]  - [   0.0003034300000000,  0.0000132000000000, -0.0002176500000000 ]  - [   0.0007480500000000, -0.0016929100000000,  0.0000581600000000 ]  - [  -0.0002993900000000, -0.0000034700000000, -0.0002016700000000 ]  - [  -0.0000155000000000, -0.0000315400000000, -0.0003737000000000 ]  - [  -0.0006652700000000, -0.0002371400000000,  0.0015527500000000 ]  - [   0.0000318200000000, -0.0000022100000000,  0.0004809700000000 ]  - [   0.0000165600000000, -0.0002339500000000,  0.0002811300000000 ]  - [  -0.0003344900000000, -0.0002154800000000, -0.0009703200000000 ]  - [   0.0000301200000000, -0.0002128800000000, -0.0000953500000000 ]  - [   0.0000098400000000,  0.0003563800000000, -0.0001980300000000 ]  - [   0.0001211400000000,  0.0002803200000000,  0.0002796800000000 ]  - [  -0.0002191700000000,  0.0000383400000000,  0.0002506700000000 ]  - [  -0.0002821900000000,  0.0000465900000000, -0.0007513400000000 ]  - [  -0.0043144400000000, -0.0021911200000000,  0.0011790400000000 ]  - [   0.0001501800000000, -0.0000287800000000,  0.0005383900000000 ]  - [  -0.0000069100000000,  0.0001301200000000,  0.0000174100000000 ]  - [   0.0001252700000000, -0.0000559500000000,  0.0006520300000000 ]  - [  -0.0000399200000000,  0.0000625400000000, -0.0001048500000000 ]  - [   0.0000405600000000, -0.0000679700000000, -0.0000897300000000 ]  - [   0.0003679400000000,  0.0000334500000000, -0.0011924700000000 ]  - [   0.0000209100000000,  0.0002737100000000, -0.0002030500000000 ]  - [  -0.0000152600000000, -0.0002636900000000, -0.0002933100000000 ]  - [  -0.0000881000000000, -0.0002866200000000,  0.0001754200000000 ]  - [   0.0000325900000000, -0.0000336800000000,  0.0007620000000000 ]  - [   0.0002877200000000, -0.0000592700000000, -0.0005573000000000 ]  - [   0.0007193600000000, -0.0010771500000000,  0.0026975700000000 ]  - [  -0.0003316900000000,  0.0000763700000000,  0.0002635600000000 ]  - [   0.0001429000000000, -0.0004361100000000,  0.0000973100000000 ]  - [   0.0001608900000000, -0.0007005800000000, -0.0002440400000000 ]  - [  -0.0000403600000000,  0.0003462100000000,  0.0000766700000000 ]  - [  -0.0005102000000000,  0.0005989700000000,  0.0000402700000000 ]  - [  -0.0000891300000000,  0.0002469700000000, -0.0003181700000000 ]  - [   0.0001921000000000, -0.0003240500000000, -0.0003748800000000 ]  - [  -0.0011353000000000, -0.0026956300000000, -0.0011809400000000 ]  - [   0.0000054200000000,  0.0000506000000000,  0.0001922000000000 ]  - [  -0.0004449600000000, -0.0002913700000000,  0.0000736500000000 ]  - [  -0.0001057400000000,  0.0002893100000000,  0.0005261700000000 ]  - [   0.0002834300000000, -0.0002844100000000, -0.0005210700000000 ]  - [   0.0002286700000000,  0.0000952400000000,  0.0001503900000000 ]  - [  -0.0000191100000000, -0.0003725100000000,  0.0002310200000000 ]  - [  -0.0002616400000000, -0.0000287100000000, -0.0003296200000000 ]  - [   0.0002404900000000,  0.0000263600000000,  0.0001937900000000 ]  - [   0.0003964500000000,  0.0031292600000000, -0.0027170600000000 ]  - [   0.0001885000000000,  0.0001206400000000,  0.0003072300000000 ]  - [  -0.0000280700000000, -0.0000587200000000,  0.0002743500000000 ]  - [  -0.0004161200000000, -0.0001008500000000, -0.0004296100000000 ]  - [  -0.0001718600000000,  0.0006305100000000, -0.0004292300000000 ]  - [   0.0001744200000000, -0.0003171000000000,  0.0006212100000000 ]  - [   0.0004356000000000,  0.0014802200000000,  0.0003886700000000 ]  - [  -0.0002106700000000,  0.0000040800000000, -0.0001973500000000 ]  - [  -0.0004335900000000,  0.0007431800000000,  0.0008356400000000 ]