# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/463a5365-8732-4484-b083-a7a17a488704/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 Y2Cl3 / C2/m (12) / materials id 27678](https://mdr.nims.go.jp/datasets/e3027713-83d1-4706-85e0-064d25f79495)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.517664340000000,    -1.898833090000000,     0.040098730000000 ] # a  - [     7.517664340000000,     1.898833090000000,     0.040098730000000 ] # b  - [    -4.855449430000000,     0.000000000000000,     8.823688910000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.953098330000000,  0.953098330000000,  0.264646150000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.046901670000000,  0.046901670000000,  0.735353850000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.769526560000000,  0.769526560000000,  0.881034850000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.230473440000000,  0.230473440000000,  0.118965150000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.342170200000000,  0.342170200000000,  0.492742880000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.657829800000000,  0.657829800000000,  0.507257120000000 ]    mass: 35.453000  - symbol: Y  # 7    coordinates: [  0.138825110000000,  0.138825110000000,  0.292240330000000 ]    mass: 88.905850  - symbol: Y  # 8    coordinates: [  0.861174890000000,  0.861174890000000,  0.707759670000000 ]    mass: 88.905850  - symbol: Y  # 9    coordinates: [  0.410729060000000,  0.410729060000000,  0.050230690000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.589270940000000,  0.589270940000000,  0.949769310000000 ]    mass: 88.905850  reciprocal_lattice: # without 2pi  - [     0.066315375189458,    -0.263319615943706,     0.036491648101847 ] # a*  - [     0.066315375189458,     0.263319615943706,     0.036491648101847 ] # b*  - [    -0.000602732564961,    -0.000000000000000,     0.112999616450782 ] # c*unit_cell:  lattice:  - [    15.035328679999999,     0.000000000000000,     0.080197460000000 ] # a  - [     0.000000000000000,     3.797666180000000,     0.000000000000000 ] # b  - [    -4.855449430000000,     0.000000000000000,     8.823688910000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.953098330000000,  0.000000000000000,  0.264646150000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.046901670000000,  0.000000000000000,  0.735353850000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.269526560000000,  0.500000000000000,  0.881034850000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.730473440000000,  0.500000000000000,  0.118965150000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.842170200000000,  0.500000000000000,  0.492742880000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.157829800000000,  0.500000000000000,  0.507257120000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.453098330000000,  0.500000000000000,  0.264646150000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 8    coordinates: [  0.546901670000000,  0.500000000000000,  0.735353850000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 9    coordinates: [  0.769526560000000,  0.000000000000000,  0.881034850000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 10    coordinates: [  0.230473440000000,  0.000000000000000,  0.118965150000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 11    coordinates: [  0.342170200000000,  0.000000000000000,  0.492742880000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 12    coordinates: [  0.657829800000000,  0.000000000000000,  0.507257120000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Y  # 13    coordinates: [  0.138825110000000,  0.000000000000000,  0.292240330000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 14    coordinates: [  0.861174890000000,  0.000000000000000,  0.707759670000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 15    coordinates: [  0.910729060000000,  0.500000000000000,  0.050230690000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 16    coordinates: [  0.089270940000000,  0.500000000000000,  0.949769310000000 ]    mass: 88.905850    reduced_to: 16  - symbol: Y  # 17    coordinates: [  0.638825110000000,  0.500000000000000,  0.292240330000000 ]    mass: 88.905850    reduced_to: 13  - symbol: Y  # 18    coordinates: [  0.361174890000000,  0.500000000000000,  0.707759670000000 ]    mass: 88.905850    reduced_to: 14  - symbol: Y  # 19    coordinates: [  0.410729060000000,  0.000000000000000,  0.050230690000000 ]    mass: 88.905850    reduced_to: 15  - symbol: Y  # 20    coordinates: [  0.589270940000000,  0.000000000000000,  0.949769310000000 ]    mass: 88.905850    reduced_to: 16supercell:  lattice:  - [    15.035328679999999,     0.000000000000000,     0.080197460000000 ] # a  - [     0.000000000000000,    11.392998539999999,     0.000000000000000 ] # b  - [    -9.710898860000000,     0.000000000000000,    17.647377819999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.953098330000000,  0.000000000000000,  0.132323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.953098330000000,  0.333333333333333,  0.132323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 3    coordinates: [  0.953098330000000,  0.666666666666667,  0.132323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 4    coordinates: [  0.953098330000000,  0.000000000000000,  0.632323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 5    coordinates: [  0.953098330000000,  0.333333333333333,  0.632323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 6    coordinates: [  0.953098330000000,  0.666666666666667,  0.632323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 7    coordinates: [  0.046901670000000,  0.000000000000000,  0.367676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.046901670000000,  0.333333333333333,  0.367676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 9    coordinates: [  0.046901670000000,  0.666666666666667,  0.367676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 10    coordinates: [  0.046901670000000,  0.000000000000000,  0.867676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 11    coordinates: [  0.046901670000000,  0.333333333333333,  0.867676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 12    coordinates: [  0.046901670000000,  0.666666666666667,  0.867676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 13    coordinates: [  0.269526560000000,  0.166666666666667,  0.440517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.269526560000000,  0.500000000000000,  0.440517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 15    coordinates: [  0.269526560000000,  0.833333333333333,  0.440517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 16    coordinates: [  0.269526560000000,  0.166666666666667,  0.940517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 17    coordinates: [  0.269526560000000,  0.500000000000000,  0.940517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 18    coordinates: [  0.269526560000000,  0.833333333333333,  0.940517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 19    coordinates: [  0.730473440000000,  0.166666666666667,  0.059482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.730473440000000,  0.500000000000000,  0.059482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 21    coordinates: [  0.730473440000000,  0.833333333333333,  0.059482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 22    coordinates: [  0.730473440000000,  0.166666666666667,  0.559482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 23    coordinates: [  0.730473440000000,  0.500000000000000,  0.559482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 24    coordinates: [  0.730473440000000,  0.833333333333333,  0.559482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 25    coordinates: [  0.842170200000000,  0.166666666666667,  0.246371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 26    coordinates: [  0.842170200000000,  0.500000000000000,  0.246371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 27    coordinates: [  0.842170200000000,  0.833333333333333,  0.246371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 28    coordinates: [  0.842170200000000,  0.166666666666667,  0.746371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 29    coordinates: [  0.842170200000000,  0.500000000000000,  0.746371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 30    coordinates: [  0.842170200000000,  0.833333333333333,  0.746371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 31    coordinates: [  0.157829800000000,  0.166666666666667,  0.253628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 32    coordinates: [  0.157829800000000,  0.500000000000000,  0.253628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 33    coordinates: [  0.157829800000000,  0.833333333333333,  0.253628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 34    coordinates: [  0.157829800000000,  0.166666666666667,  0.753628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 35    coordinates: [  0.157829800000000,  0.500000000000000,  0.753628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 36    coordinates: [  0.157829800000000,  0.833333333333333,  0.753628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 37    coordinates: [  0.453098330000000,  0.166666666666667,  0.132323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 38    coordinates: [  0.453098330000000,  0.500000000000000,  0.132323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 39    coordinates: [  0.453098330000000,  0.833333333333333,  0.132323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 40    coordinates: [  0.453098330000000,  0.166666666666667,  0.632323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 41    coordinates: [  0.453098330000000,  0.500000000000000,  0.632323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 42    coordinates: [  0.453098330000000,  0.833333333333333,  0.632323075000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 43    coordinates: [  0.546901670000000,  0.166666666666667,  0.367676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 44    coordinates: [  0.546901670000000,  0.500000000000000,  0.367676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 45    coordinates: [  0.546901670000000,  0.833333333333333,  0.367676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 46    coordinates: [  0.546901670000000,  0.166666666666667,  0.867676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 47    coordinates: [  0.546901670000000,  0.500000000000000,  0.867676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 48    coordinates: [  0.546901670000000,  0.833333333333333,  0.867676925000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 49    coordinates: [  0.769526560000000,  0.000000000000000,  0.440517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 50    coordinates: [  0.769526560000000,  0.333333333333333,  0.440517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 51    coordinates: [  0.769526560000000,  0.666666666666667,  0.440517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 52    coordinates: [  0.769526560000000,  0.000000000000000,  0.940517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 53    coordinates: [  0.769526560000000,  0.333333333333333,  0.940517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 54    coordinates: [  0.769526560000000,  0.666666666666667,  0.940517425000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 55    coordinates: [  0.230473440000000,  0.000000000000000,  0.059482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 56    coordinates: [  0.230473440000000,  0.333333333333333,  0.059482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 57    coordinates: [  0.230473440000000,  0.666666666666667,  0.059482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 58    coordinates: [  0.230473440000000,  0.000000000000000,  0.559482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 59    coordinates: [  0.230473440000000,  0.333333333333333,  0.559482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 60    coordinates: [  0.230473440000000,  0.666666666666667,  0.559482575000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 61    coordinates: [  0.342170200000000,  0.000000000000000,  0.246371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 62    coordinates: [  0.342170200000000,  0.333333333333333,  0.246371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 63    coordinates: [  0.342170200000000,  0.666666666666667,  0.246371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 64    coordinates: [  0.342170200000000,  0.000000000000000,  0.746371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 65    coordinates: [  0.342170200000000,  0.333333333333333,  0.746371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 66    coordinates: [  0.342170200000000,  0.666666666666667,  0.746371440000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 67    coordinates: [  0.657829800000000,  0.000000000000000,  0.253628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 68    coordinates: [  0.657829800000000,  0.333333333333333,  0.253628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 69    coordinates: [  0.657829800000000,  0.666666666666667,  0.253628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 70    coordinates: [  0.657829800000000,  0.000000000000000,  0.753628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 71    coordinates: [  0.657829800000000,  0.333333333333333,  0.753628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 72    coordinates: [  0.657829800000000,  0.666666666666667,  0.753628560000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Y  # 73    coordinates: [  0.138825110000000,  0.000000000000000,  0.146120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 74    coordinates: [  0.138825110000000,  0.333333333333333,  0.146120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 75    coordinates: [  0.138825110000000,  0.666666666666667,  0.146120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 76    coordinates: [  0.138825110000000,  0.000000000000000,  0.646120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 77    coordinates: [  0.138825110000000,  0.333333333333333,  0.646120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 78    coordinates: [  0.138825110000000,  0.666666666666667,  0.646120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 79    coordinates: [  0.861174890000000,  0.000000000000000,  0.353879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 80    coordinates: [  0.861174890000000,  0.333333333333333,  0.353879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 81    coordinates: [  0.861174890000000,  0.666666666666667,  0.353879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 82    coordinates: [  0.861174890000000,  0.000000000000000,  0.853879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 83    coordinates: [  0.861174890000000,  0.333333333333333,  0.853879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 84    coordinates: [  0.861174890000000,  0.666666666666667,  0.853879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 85    coordinates: [  0.910729060000000,  0.166666666666667,  0.025115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 86    coordinates: [  0.910729060000000,  0.500000000000000,  0.025115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 87    coordinates: [  0.910729060000000,  0.833333333333333,  0.025115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 88    coordinates: [  0.910729060000000,  0.166666666666667,  0.525115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 89    coordinates: [  0.910729060000000,  0.500000000000000,  0.525115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 90    coordinates: [  0.910729060000000,  0.833333333333333,  0.525115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 91    coordinates: [  0.089270940000000,  0.166666666666667,  0.474884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 92    coordinates: [  0.089270940000000,  0.500000000000000,  0.474884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 93    coordinates: [  0.089270940000000,  0.833333333333333,  0.474884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 94    coordinates: [  0.089270940000000,  0.166666666666667,  0.974884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 95    coordinates: [  0.089270940000000,  0.500000000000000,  0.974884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 96    coordinates: [  0.089270940000000,  0.833333333333333,  0.974884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 97    coordinates: [  0.638825110000000,  0.166666666666667,  0.146120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 98    coordinates: [  0.638825110000000,  0.500000000000000,  0.146120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 99    coordinates: [  0.638825110000000,  0.833333333333333,  0.146120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 100    coordinates: [  0.638825110000000,  0.166666666666667,  0.646120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 101    coordinates: [  0.638825110000000,  0.500000000000000,  0.646120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 102    coordinates: [  0.638825110000000,  0.833333333333333,  0.646120165000000 ]    mass: 88.905850    reduced_to: 73  - symbol: Y  # 103    coordinates: [  0.361174890000000,  0.166666666666667,  0.353879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 104    coordinates: [  0.361174890000000,  0.500000000000000,  0.353879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 105    coordinates: [  0.361174890000000,  0.833333333333333,  0.353879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 106    coordinates: [  0.361174890000000,  0.166666666666667,  0.853879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 107    coordinates: [  0.361174890000000,  0.500000000000000,  0.853879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 108    coordinates: [  0.361174890000000,  0.833333333333333,  0.853879835000000 ]    mass: 88.905850    reduced_to: 79  - symbol: Y  # 109    coordinates: [  0.410729060000000,  0.000000000000000,  0.025115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 110    coordinates: [  0.410729060000000,  0.333333333333333,  0.025115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 111    coordinates: [  0.410729060000000,  0.666666666666667,  0.025115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 112    coordinates: [  0.410729060000000,  0.000000000000000,  0.525115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 113    coordinates: [  0.410729060000000,  0.333333333333333,  0.525115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 114    coordinates: [  0.410729060000000,  0.666666666666667,  0.525115345000000 ]    mass: 88.905850    reduced_to: 85  - symbol: Y  # 115    coordinates: [  0.589270940000000,  0.000000000000000,  0.474884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 116    coordinates: [  0.589270940000000,  0.333333333333333,  0.474884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 117    coordinates: [  0.589270940000000,  0.666666666666667,  0.474884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 118    coordinates: [  0.589270940000000,  0.000000000000000,  0.974884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 119    coordinates: [  0.589270940000000,  0.333333333333333,  0.974884655000000 ]    mass: 88.905850    reduced_to: 91  - symbol: Y  # 120    coordinates: [  0.589270940000000,  0.666666666666667,  0.974884655000000 ]    mass: 88.905850    reduced_to: 91born_effective_charge:- # 1 (Cl)  - [ -0.899799180000000, -0.000000000000000,  0.052114800000000 ]  - [ -0.000000000000000, -1.203657670000000, -0.000000000000000 ]  - [ -0.059384090000000,  0.000000000000000, -0.763176780000000 ]- # 2 (Cl)  - [ -0.899799180000000, -0.000000000000000,  0.052114800000000 ]  - [ -0.000000000000000, -1.203657670000000, -0.000000000000000 ]  - [ -0.059384090000000,  0.000000000000000, -0.763176780000000 ]- # 3 (Cl)  - [ -1.846052870000000,  0.000000000000000,  0.225804920000000 ]  - [  0.000000000000000, -0.992552390000000, -0.000000000000000 ]  - [ -0.119686530000000,  0.000000000000000, -0.521441670000000 ]- # 4 (Cl)  - [ -1.846052870000000,  0.000000000000000,  0.225804920000000 ]  - [  0.000000000000000, -0.992552390000000, -0.000000000000000 ]  - [ -0.119686530000000,  0.000000000000000, -0.521441670000000 ]- # 5 (Cl)  - [ -0.687459960000000, -0.000000000000000, -0.483506220000000 ]  - [ -0.000000000000000, -1.284104980000000,  0.000000000000000 ]  - [ -0.743548090000000, -0.000000000000000, -2.331224470000000 ]- # 6 (Cl)  - [ -0.687459960000000, -0.000000000000000, -0.483506220000000 ]  - [ -0.000000000000000, -1.284104980000000,  0.000000000000000 ]  - [ -0.743548090000000, -0.000000000000000, -2.331224470000000 ]- # 7 (Y)  - [  1.685934170000000,  0.000000000000000,  0.425464370000000 ]  - [ -0.000000000000000,  1.470372600000000, -0.000000000000000 ]  - [  0.986240600000000,  0.000000000000000,  3.048741950000001 ]- # 8 (Y)  - [  1.685934170000000,  0.000000000000000,  0.425464370000000 ]  - [ -0.000000000000000,  1.470372600000000, -0.000000000000000 ]  - [  0.986240600000000,  0.000000000000000,  3.048741950000001 ]- # 9 (Y)  - [  1.747377850000000, -0.000000000000000, -0.219877860000000 ]  - [  0.000000000000000,  2.009942450000000,  0.000000000000000 ]  - [ -0.063621890000000, -0.000000000000000,  0.567100970000000 ]- # 10 (Y)  - [  1.747377850000000, -0.000000000000000, -0.219877860000000 ]  - [  0.000000000000000,  2.009942450000000,  0.000000000000000 ]  - [ -0.063621890000000, -0.000000000000000,  0.567100970000000 ]dielectric_constant:  - [  6.165049250000000,  0.000000000000000,  0.646646360000000 ]  - [  0.000000000000000,  9.692674920000000,  0.000000000000000 ]  - [  0.646649850000000,  0.000000000000000,  6.828192810000000 ]displacements:- atom:    1  displacement:    [   0.0099998577487433,  0.0000000000000000,  0.0000533385873285 ]  forces:  - [  -0.0559492000000000,  0.0000000000000000,  0.0035314200000000 ]  - [   0.0000461000000000, -0.0002687100000000, -0.0001571700000000 ]  - [   0.0000461000000000,  0.0002687100000000, -0.0001571700000000 ]  - [   0.0002606800000000,  0.0000000000000000, -0.0005011600000000 ]  - [   0.0002529200000000,  0.0000349200000000, -0.0004854700000000 ]  - [   0.0002529200000000, -0.0000349200000000, -0.0004854700000000 ]  - [  -0.0002079300000000,  0.0000000000000000,  0.0003388500000000 ]  - [  -0.0002707500000000,  0.0000208900000000,  0.0004347100000000 ]  - [  -0.0002707500000000, -0.0000208900000000,  0.0004347100000000 ]  - [   0.0001086800000000,  0.0000000000000000,  0.0000374400000000 ]  - [  -0.0002308400000000,  0.0001644400000000,  0.0004336200000000 ]  - [  -0.0002308400000000, -0.0001644400000000,  0.0004336200000000 ]  - [   0.0006880200000000, -0.0000305500000000,  0.0022830800000000 ]  - [   0.0007112900000000,  0.0000000000000000,  0.0022286100000000 ]  - [   0.0006880200000000,  0.0000305500000000,  0.0022830800000000 ]  - [   0.0010510900000000, -0.0000178900000000,  0.0021464800000000 ]  - [   0.0008899600000000,  0.0000000000000000,  0.0021958400000000 ]  - [   0.0010510900000000,  0.0000178900000000,  0.0021464800000000 ]  - [   0.0020325200000000, -0.0021067600000000, -0.0006995700000000 ]  - [  -0.0008914900000000,  0.0000000000000000, -0.0021769200000000 ]  - [   0.0020325200000000,  0.0021067600000000, -0.0006995700000000 ]  - [  -0.0007048200000000, -0.0000497100000000, -0.0022291900000000 ]  - [  -0.0007090200000000,  0.0000000000000000, -0.0022287300000000 ]  - [  -0.0007048200000000,  0.0000497100000000, -0.0022291900000000 ]  - [  -0.0005387600000000, -0.0003413500000000,  0.0009988700000000 ]  - [  -0.0010002500000000,  0.0000000000000000,  0.0014321800000000 ]  - [  -0.0005387600000000,  0.0003413500000000,  0.0009988700000000 ]  - [  -0.0009949400000000,  0.0000002500000000,  0.0014067700000000 ]  - [  -0.0009629700000000,  0.0000000000000000,  0.0014019800000000 ]  - [  -0.0009949400000000, -0.0000002500000000,  0.0014067700000000 ]  - [   0.0019525600000000,  0.0018635500000000,  0.0002905100000000 ]  - [   0.0008819300000000,  0.0000000000000000, -0.0013950400000000 ]  - [   0.0019525600000000, -0.0018635500000000,  0.0002905100000000 ]  - [   0.0010373300000000, -0.0000470400000000, -0.0014593100000000 ]  - [   0.0010262500000000,  0.0000000000000000, -0.0014570200000000 ]  - [   0.0010373300000000,  0.0000470400000000, -0.0014593100000000 ]  - [   0.0004063200000000, -0.0000107600000000, -0.0004934200000000 ]  - [   0.0003027200000000,  0.0000000000000000, -0.0005124100000000 ]  - [   0.0004063200000000,  0.0000107600000000, -0.0004934200000000 ]  - [   0.0001818900000000, -0.0000234900000000, -0.0004353200000000 ]  - [   0.0001859200000000,  0.0000000000000000, -0.0004541100000000 ]  - [   0.0001818900000000,  0.0000234900000000, -0.0004353200000000 ]  - [  -0.0001605000000000, -0.0000210400000000,  0.0005303400000000 ]  - [  -0.0001740500000000,  0.0000000000000000,  0.0004751200000000 ]  - [  -0.0001605000000000,  0.0000210400000000,  0.0005303400000000 ]  - [  -0.0001850700000000, -0.0000582000000000,  0.0005644600000000 ]  - [  -0.0003381400000000,  0.0000000000000000,  0.0005367500000000 ]  - [  -0.0001850700000000,  0.0000582000000000,  0.0005644600000000 ]  - [   0.0008886100000000,  0.0000000000000000,  0.0021725800000000 ]  - [   0.0008629500000000,  0.0000494400000000,  0.0021833600000000 ]  - [   0.0008629500000000, -0.0000494400000000,  0.0021833600000000 ]  - [   0.0004743900000000,  0.0000000000000000,  0.0047299900000000 ]  - [   0.0003395500000000,  0.0001223200000000,  0.0023367300000000 ]  - [   0.0003395500000000, -0.0001223200000000,  0.0023367300000000 ]  - [   0.0009527700000000,  0.0000000000000000, -0.0037364300000000 ]  - [  -0.0005397400000000,  0.0002040200000000, -0.0022009200000000 ]  - [  -0.0005397400000000, -0.0002040200000000, -0.0022009200000000 ]  - [  -0.0008589500000000,  0.0000000000000000, -0.0022084200000000 ]  - [  -0.0008568900000000,  0.0000520000000000, -0.0021952800000000 ]  - [  -0.0008568900000000, -0.0000520000000000, -0.0021952800000000 ]  - [  -0.0000683900000000,  0.0000000000000000,  0.0034779100000000 ]  - [  -0.0009190900000000,  0.0000966600000000,  0.0014711800000000 ]  - [  -0.0009190900000000, -0.0000966600000000,  0.0014711800000000 ]  - [  -0.0009796000000000,  0.0000000000000000,  0.0015361000000000 ]  - [  -0.0009916000000000,  0.0000342200000000,  0.0015333800000000 ]  - [  -0.0009916000000000, -0.0000342200000000,  0.0015333800000000 ]  - [   0.0010586700000000,  0.0000000000000000, -0.0015152700000000 ]  - [   0.0010523500000000, -0.0000030600000000, -0.0015093200000000 ]  - [   0.0010523500000000,  0.0000030600000000, -0.0015093200000000 ]  - [   0.0008490800000000,  0.0000000000000000, -0.0013075800000000 ]  - [   0.0009667400000000,  0.0000464100000000, -0.0014813000000000 ]  - [   0.0009667400000000, -0.0000464100000000, -0.0014813000000000 ]  - [   0.0363870100000000,  0.0000000000000000,  0.0016699500000000 ]  - [  -0.0005598100000000,  0.0001113300000000,  0.0022577000000000 ]  - [  -0.0005598100000000, -0.0001113300000000,  0.0022577000000000 ]  - [  -0.0008733300000000,  0.0000000000000000,  0.0020665500000000 ]  - [  -0.0008655100000000, -0.0000071500000000,  0.0020579900000000 ]  - [  -0.0008655100000000,  0.0000071500000000,  0.0020579900000000 ]  - [   0.0005968400000000,  0.0000000000000000, -0.0016431000000000 ]  - [   0.0008261500000000,  0.0001913500000000, -0.0018298700000000 ]  - [   0.0008261500000000, -0.0001913500000000, -0.0018298700000000 ]  - [   0.0017104100000000,  0.0000000000000000, -0.0017539400000000 ]  - [   0.0005704700000000, -0.0000789700000000, -0.0018677500000000 ]  - [   0.0005704700000000,  0.0000789700000000, -0.0018677500000000 ]  - [   0.0026881000000000,  0.0044975500000000, -0.0087313100000000 ]  - [  -0.0021389000000000,  0.0000000000000000, -0.0030826900000000 ]  - [   0.0026881000000000, -0.0044975500000000, -0.0087313100000000 ]  - [  -0.0022662300000000, -0.0000007100000000, -0.0025706500000000 ]  - [  -0.0022578300000000,  0.0000000000000000, -0.0025728800000000 ]  - [  -0.0022662300000000,  0.0000007100000000, -0.0025706500000000 ]  - [   0.0022549400000000,  0.0000814800000000,  0.0026327100000000 ]  - [   0.0022499300000000,  0.0000000000000000,  0.0025725100000000 ]  - [   0.0022549400000000, -0.0000814800000000,  0.0026327100000000 ]  - [   0.0020748600000000,  0.0000311500000000,  0.0023431100000000 ]  - [   0.0022162500000000,  0.0000000000000000,  0.0026152700000000 ]  - [   0.0020748600000000, -0.0000311500000000,  0.0023431100000000 ]  - [  -0.0015267300000000, -0.0000079100000000,  0.0023600900000000 ]  - [  -0.0008073000000000,  0.0000000000000000,  0.0021194100000000 ]  - [  -0.0015267300000000,  0.0000079100000000,  0.0023600900000000 ]  - [  -0.0008184800000000,  0.0000463200000000,  0.0021172400000000 ]  - [  -0.0008379900000000,  0.0000000000000000,  0.0021348100000000 ]  - [  -0.0008184800000000, -0.0000463200000000,  0.0021172400000000 ]  - [   0.0007840600000000, -0.0002318900000000, -0.0025313400000000 ]  - [   0.0007978800000000,  0.0000000000000000, -0.0021818900000000 ]  - [   0.0007840600000000,  0.0002318900000000, -0.0025313400000000 ]  - [   0.0007636900000000,  0.0000077100000000, -0.0021474100000000 ]  - [   0.0008877300000000,  0.0000000000000000, -0.0021349100000000 ]  - [   0.0007636900000000, -0.0000077100000000, -0.0021474100000000 ]  - [  -0.0026994500000000,  0.0000000000000000, -0.0024591600000000 ]  - [  -0.0022925000000000, -0.0000460000000000, -0.0025271600000000 ]  - [  -0.0022925000000000,  0.0000460000000000, -0.0025271600000000 ]  - [  -0.0020514300000000,  0.0000000000000000, -0.0026339000000000 ]  - [  -0.0020755400000000, -0.0000089200000000, -0.0025872000000000 ]  - [  -0.0020755400000000,  0.0000089200000000, -0.0025872000000000 ]  - [   0.0020691400000000,  0.0000000000000000,  0.0026260900000000 ]  - [   0.0020747100000000, -0.0000228500000000,  0.0025879300000000 ]  - [   0.0020747100000000,  0.0000228500000000,  0.0025879300000000 ]  - [   0.0016032200000000,  0.0000000000000000,  0.0020503000000000 ]  - [   0.0022389200000000,  0.0004724000000000,  0.0021716300000000 ]  - [   0.0022389200000000, -0.0004724000000000,  0.0021716300000000 ]- atom:    1  displacement:    [  -0.0099998577487433,  0.0000000000000000, -0.0000533385873285 ]  forces:  - [   0.0547477600000000,  0.0000000000000000, -0.0047427300000000 ]  - [   0.0003946500000000,  0.0003388600000000, -0.0007775000000000 ]  - [   0.0003946500000000, -0.0003388600000000, -0.0007775000000000 ]  - [   0.0001785400000000,  0.0000000000000000, -0.0004518700000000 ]  - [   0.0001842500000000,  0.0000386300000000, -0.0004480400000000 ]  - [   0.0001842500000000, -0.0000386300000000, -0.0004480400000000 ]  - [  -0.0002324500000000,  0.0000000000000000,  0.0006161800000000 ]  - [  -0.0001665200000000,  0.0000527600000000,  0.0004998800000000 ]  - [  -0.0001665200000000, -0.0000527600000000,  0.0004998800000000 ]  - [  -0.0005518200000000,  0.0000000000000000,  0.0009152500000000 ]  - [  -0.0002084500000000, -0.0000924500000000,  0.0005032800000000 ]  - [  -0.0002084500000000,  0.0000924500000000,  0.0005032800000000 ]  - [   0.0008671100000000, -0.0000708900000000,  0.0021441200000000 ]  - [   0.0008472000000000,  0.0000000000000000,  0.0021995500000000 ]  - [   0.0008671100000000,  0.0000708900000000,  0.0021441200000000 ]  - [   0.0005013900000000, -0.0000830300000000,  0.0022803900000000 ]  - [   0.0006647200000000,  0.0000000000000000,  0.0022334400000000 ]  - [   0.0005013900000000,  0.0000830300000000,  0.0022803900000000 ]  - [  -0.0036442800000000,  0.0020516800000000, -0.0037604500000000 ]  - [  -0.0006645600000000,  0.0000000000000000, -0.0022518400000000 ]  - [  -0.0036442800000000, -0.0020516800000000, -0.0037604500000000 ]  - [  -0.0008504400000000, -0.0000519500000000, -0.0021971600000000 ]  - [  -0.0008495700000000,  0.0000000000000000, -0.0021992800000000 ]  - [  -0.0008504400000000,  0.0000519500000000, -0.0021971600000000 ]  - [  -0.0014515700000000,  0.0002596200000000,  0.0019463900000000 ]  - [  -0.0009883700000000,  0.0000000000000000,  0.0015161100000000 ]  - [  -0.0014515700000000, -0.0002596200000000,  0.0019463900000000 ]  - [  -0.0009863300000000, -0.0000884100000000,  0.0015323300000000 ]  - [  -0.0010260900000000,  0.0000000000000000,  0.0015492900000000 ]  - [  -0.0009863300000000,  0.0000884100000000,  0.0015323300000000 ]  - [   0.0000359000000000, -0.0019287300000000, -0.0032065700000000 ]  - [   0.0011068400000000,  0.0000000000000000, -0.0015578600000000 ]  - [   0.0000359000000000,  0.0019287300000000, -0.0032065700000000 ]  - [   0.0009446500000000, -0.0000409800000000, -0.0014776100000000 ]  - [   0.0009623100000000,  0.0000000000000000, -0.0014908200000000 ]  - [   0.0009446500000000,  0.0000409800000000, -0.0014776100000000 ]  - [   0.0000305200000000, -0.0000622600000000, -0.0004411900000000 ]  - [   0.0001356100000000,  0.0000000000000000, -0.0004409600000000 ]  - [   0.0000305200000000,  0.0000622600000000, -0.0004411900000000 ]  - [   0.0002561800000000, -0.0000498900000000, -0.0004987300000000 ]  - [   0.0002541500000000,  0.0000000000000000, -0.0004992600000000 ]  - [   0.0002561800000000,  0.0000498900000000, -0.0004987300000000 ]  - [  -0.0002774000000000, -0.0000514700000000,  0.0004050900000000 ]  - [  -0.0002663600000000,  0.0000000000000000,  0.0004784700000000 ]  - [  -0.0002774000000000,  0.0000514700000000,  0.0004050900000000 ]  - [  -0.0002524900000000, -0.0000154100000000,  0.0003685500000000 ]  - [  -0.0001005700000000,  0.0000000000000000,  0.0004155000000000 ]  - [  -0.0002524900000000,  0.0000154100000000,  0.0003685500000000 ]  - [   0.0006687300000000,  0.0000000000000000,  0.0022564000000000 ]  - [   0.0006911700000000,  0.0000522500000000,  0.0022441700000000 ]  - [   0.0006911700000000, -0.0000522500000000,  0.0022441700000000 ]  - [   0.0011010400000000,  0.0000000000000000, -0.0003007700000000 ]  - [   0.0012159700000000, -0.0000214500000000,  0.0020915800000000 ]  - [   0.0012159700000000,  0.0000214500000000,  0.0020915800000000 ]  - [  -0.0024854100000000,  0.0000000000000000, -0.0007300300000000 ]  - [  -0.0010191800000000, -0.0001040300000000, -0.0022261400000000 ]  - [  -0.0010191800000000,  0.0001040300000000, -0.0022261400000000 ]  - [  -0.0006989300000000,  0.0000000000000000, -0.0022200500000000 ]  - [  -0.0006976000000000,  0.0000496900000000, -0.0022320400000000 ]  - [  -0.0006976000000000, -0.0000496900000000, -0.0022320400000000 ]  - [  -0.0019046700000000,  0.0000000000000000, -0.0004874400000000 ]  - [  -0.0010660800000000, -0.0000080300000000,  0.0014629100000000 ]  - [  -0.0010660800000000,  0.0000080300000000,  0.0014629100000000 ]  - [  -0.0010096700000000,  0.0000000000000000,  0.0014113700000000 ]  - [  -0.0009913400000000,  0.0000537300000000,  0.0014028200000000 ]  - [  -0.0009913400000000, -0.0000537300000000,  0.0014028200000000 ]  - [   0.0009304600000000,  0.0000000000000000, -0.0014319300000000 ]  - [   0.0009297600000000,  0.0000918600000000, -0.0014268700000000 ]  - [   0.0009297600000000, -0.0000918600000000, -0.0014268700000000 ]  - [   0.0011417100000000,  0.0000000000000000, -0.0016384000000000 ]  - [   0.0010173100000000,  0.0000418500000000, -0.0014534100000000 ]  - [   0.0010173100000000, -0.0000418500000000, -0.0014534100000000 ]  - [  -0.0363039000000000,  0.0000000000000000,  0.0026840500000000 ]  - [  -0.0011456200000000, -0.0001095300000000,  0.0019390100000000 ]  - [  -0.0011456200000000,  0.0001095300000000,  0.0019390100000000 ]  - [  -0.0008279500000000,  0.0000000000000000,  0.0021262200000000 ]  - [  -0.0008400100000000,  0.0000000400000000,  0.0021333300000000 ]  - [  -0.0008400100000000, -0.0000000400000000,  0.0021333300000000 ]  - [   0.0011070900000000,  0.0000000000000000, -0.0025542200000000 ]  - [   0.0008798700000000, -0.0002007300000000, -0.0023640300000000 ]  - [   0.0008798700000000,  0.0002007300000000, -0.0023640300000000 ]  - [  -0.0000129100000000,  0.0000000000000000, -0.0024399400000000 ]  - [   0.0011291900000000,  0.0000700800000000, -0.0023229000000000 ]  - [   0.0011291900000000, -0.0000700800000000, -0.0023229000000000 ]  - [  -0.0070547700000000, -0.0045514700000000,  0.0036168900000000 ]  - [  -0.0021954600000000,  0.0000000000000000, -0.0020730700000000 ]  - [  -0.0070547700000000,  0.0045514700000000,  0.0036168900000000 ]  - [  -0.0020551300000000,  0.0000059200000000, -0.0025840300000000 ]  - [  -0.0020699100000000,  0.0000000000000000, -0.0025819300000000 ]  - [  -0.0020551300000000, -0.0000059200000000, -0.0025840300000000 ]  - [   0.0020659000000000, -0.0000768900000000,  0.0025216300000000 ]  - [   0.0020783000000000,  0.0000000000000000,  0.0025824000000000 ]  - [   0.0020659000000000,  0.0000768900000000,  0.0025216300000000 ]  - [   0.0022578700000000, -0.0000223400000000,  0.0028123300000000 ]  - [   0.0021178100000000,  0.0000000000000000,  0.0025377500000000 ]  - [   0.0022578700000000,  0.0000223400000000,  0.0028123300000000 ]  - [  -0.0001732400000000,  0.0000155500000000,  0.0018273900000000 ]  - [  -0.0008962100000000,  0.0000000000000000,  0.0020733600000000 ]  - [  -0.0001732400000000, -0.0000155500000000,  0.0018273900000000 ]  - [  -0.0008898200000000, -0.0000392600000000,  0.0020710800000000 ]  - [  -0.0008665300000000,  0.0000000000000000,  0.0020551700000000 ]  - [  -0.0008898200000000,  0.0000392600000000,  0.0020710800000000 ]  - [   0.0009259100000000,  0.0002329400000000, -0.0016611800000000 ]  - [   0.0009054900000000,  0.0000000000000000, -0.0020076400000000 ]  - [   0.0009259100000000, -0.0002329400000000, -0.0016611800000000 ]  - [   0.0009425400000000, -0.0000002400000000, -0.0020430000000000 ]  - [   0.0008153200000000,  0.0000000000000000, -0.0020573100000000 ]  - [   0.0009425400000000,  0.0000002400000000, -0.0020430000000000 ]  - [  -0.0016326000000000,  0.0000000000000000, -0.0026948600000000 ]  - [  -0.0020265500000000,  0.0000400700000000, -0.0026274100000000 ]  - [  -0.0020265500000000, -0.0000400700000000, -0.0026274100000000 ]  - [  -0.0022782300000000,  0.0000000000000000, -0.0025200700000000 ]  - [  -0.0022468900000000,  0.0000036500000000, -0.0025670000000000 ]  - [  -0.0022468900000000, -0.0000036500000000, -0.0025670000000000 ]  - [   0.0022599300000000,  0.0000000000000000,  0.0025275800000000 ]  - [   0.0022478900000000,  0.0000172200000000,  0.0025659600000000 ]  - [   0.0022478900000000, -0.0000172200000000,  0.0025659600000000 ]  - [   0.0027261600000000,  0.0000000000000000,  0.0031115400000000 ]  - [   0.0020821700000000, -0.0004834700000000,  0.0029874700000000 ]  - [   0.0020821700000000,  0.0004834700000000,  0.0029874700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001675700000000, -0.0400141500000000,  0.0000643600000000 ]  - [   0.0005247400000000,  0.0016050000000000, -0.0004286300000000 ]  - [  -0.0000822900000000,  0.0014854900000000, -0.0005156200000000 ]  - [   0.0002193600000000, -0.0000066900000000, -0.0004778500000000 ]  - [   0.0002202100000000,  0.0000406100000000, -0.0004723600000000 ]  - [   0.0002164800000000, -0.0000328700000000, -0.0004637900000000 ]  - [  -0.0002188400000000, -0.0000174300000000,  0.0004768900000000 ]  - [  -0.0002342700000000,  0.0000493400000000,  0.0004979500000000 ]  - [  -0.0002020000000000, -0.0000239300000000,  0.0004375300000000 ]  - [  -0.0002204600000000, -0.0008180400000000,  0.0004810700000000 ]  - [  -0.0000898500000000,  0.0003925700000000,  0.0004567300000000 ]  - [  -0.0003469600000000,  0.0003184800000000,  0.0004797700000000 ]  - [   0.0007651900000000, -0.0000455600000000,  0.0022610600000000 ]  - [   0.0007760100000000, -0.0000099900000000,  0.0022152400000000 ]  - [   0.0007834500000000,  0.0000562300000000,  0.0021674700000000 ]  - [   0.0008663600000000, -0.0000776100000000,  0.0021769100000000 ]  - [   0.0007765100000000,  0.0000767500000000,  0.0022151800000000 ]  - [   0.0006831800000000,  0.0000239700000000,  0.0022517400000000 ]  - [  -0.0029516400000000,  0.0010063600000000, -0.0031120800000000 ]  - [  -0.0007770600000000,  0.0000984300000000, -0.0022153100000000 ]  - [   0.0013749000000000,  0.0010995000000000, -0.0013281200000000 ]  - [  -0.0007737200000000, -0.0000534800000000, -0.0022351200000000 ]  - [  -0.0007762100000000,  0.0000068100000000, -0.0022154900000000 ]  - [  -0.0007755100000000,  0.0000482300000000, -0.0021944600000000 ]  - [  -0.0012419700000000,  0.0000640500000000,  0.0017252000000000 ]  - [  -0.0009943600000000,  0.0000412800000000,  0.0014728500000000 ]  - [  -0.0007418000000000,  0.0001517000000000,  0.0012107400000000 ]  - [  -0.0011644800000000, -0.0001411300000000,  0.0013938200000000 ]  - [  -0.0009944400000000,  0.0001076000000000,  0.0014719600000000 ]  - [  -0.0008183100000000, -0.0000526400000000,  0.0015369800000000 ]  - [   0.0029945000000000,  0.0013189900000000,  0.0001100400000000 ]  - [   0.0009947500000000,  0.0004696400000000, -0.0014720700000000 ]  - [  -0.0009919600000000,  0.0014029200000000, -0.0030210400000000 ]  - [   0.0009884600000000, -0.0000506000000000, -0.0014859400000000 ]  - [   0.0009943700000000,  0.0000106600000000, -0.0014730000000000 ]  - [   0.0009936400000000,  0.0000374000000000, -0.0014487800000000 ]  - [   0.0001925000000000, -0.0000729100000000, -0.0004765200000000 ]  - [   0.0002192200000000,  0.0000775400000000, -0.0004775000000000 ]  - [   0.0002440300000000,  0.0000008400000000, -0.0004591600000000 ]  - [   0.0002049500000000, -0.0000466200000000, -0.0004740100000000 ]  - [   0.0002191700000000,  0.0000193400000000, -0.0004777000000000 ]  - [   0.0002312700000000,  0.0000270600000000, -0.0004621200000000 ]  - [  -0.0002031300000000, -0.0000658600000000,  0.0004839300000000 ]  - [  -0.0002192400000000,  0.0000345800000000,  0.0004776700000000 ]  - [  -0.0002333400000000,  0.0000077000000000,  0.0004513700000000 ]  - [  -0.0002392200000000, -0.0000759100000000,  0.0004371000000000 ]  - [  -0.0002195300000000,  0.0000652400000000,  0.0004775000000000 ]  - [  -0.0001968500000000, -0.0000020400000000,  0.0004988600000000 ]  - [   0.0007763300000000, -0.0000054400000000,  0.0022151300000000 ]  - [   0.0007731100000000,  0.0000539700000000,  0.0022195300000000 ]  - [   0.0007761100000000, -0.0000475800000000,  0.0022094400000000 ]  - [   0.0007757100000000, -0.0012258100000000,  0.0022190400000000 ]  - [   0.0002788900000000,  0.0005575200000000,  0.0017165300000000 ]  - [   0.0012607200000000,  0.0004488500000000,  0.0027068600000000 ]  - [  -0.0007870000000000, -0.0005490600000000, -0.0022131100000000 ]  - [  -0.0004994700000000,  0.0005347700000000, -0.0023533500000000 ]  - [  -0.0010524900000000,  0.0004321700000000, -0.0020763000000000 ]  - [  -0.0007760800000000, -0.0000062400000000, -0.0022154400000000 ]  - [  -0.0007817600000000,  0.0000544500000000, -0.0022102900000000 ]  - [  -0.0007672800000000, -0.0000471400000000, -0.0022190600000000 ]  - [  -0.0009974400000000,  0.0000813900000000,  0.0014674600000000 ]  - [  -0.0008265800000000,  0.0001507400000000,  0.0015878500000000 ]  - [  -0.0011552600000000,  0.0000632300000000,  0.0013462400000000 ]  - [  -0.0009942200000000, -0.0000237300000000,  0.0014723700000000 ]  - [  -0.0010040200000000,  0.0000557300000000,  0.0014641100000000 ]  - [  -0.0009781800000000, -0.0000321400000000,  0.0014694600000000 ]  - [   0.0009944900000000, -0.0000569900000000, -0.0014723800000000 ]  - [   0.0009987300000000,  0.0000765700000000, -0.0014713100000000 ]  - [   0.0009836000000000, -0.0000111500000000, -0.0014624700000000 ]  - [   0.0009943700000000, -0.0000039100000000, -0.0014723700000000 ]  - [   0.0009409300000000,  0.0000495000000000, -0.0015771100000000 ]  - [   0.0010407200000000, -0.0000383700000000, -0.0013581000000000 ]  - [  -0.0009009300000000,  0.0025336800000000,  0.0020966500000000 ]  - [  -0.0004974300000000, -0.0002772100000000,  0.0020074800000000 ]  - [  -0.0012072000000000, -0.0002781700000000,  0.0021811000000000 ]  - [  -0.0008520400000000,  0.0000189200000000,  0.0020960300000000 ]  - [  -0.0008574600000000, -0.0000131200000000,  0.0020991600000000 ]  - [  -0.0008507200000000, -0.0000059300000000,  0.0020912100000000 ]  - [   0.0008510700000000,  0.0001471800000000, -0.0020952900000000 ]  - [   0.0008891300000000, -0.0000737000000000, -0.0021654700000000 ]  - [   0.0008190700000000, -0.0000673000000000, -0.0020242900000000 ]  - [   0.0008544300000000,  0.0002818400000000, -0.0020997600000000 ]  - [   0.0012677600000000, -0.0000148300000000, -0.0022064200000000 ]  - [   0.0004453200000000, -0.0000072000000000, -0.0019841300000000 ]  - [   0.0009151000000000,  0.0148498700000000, -0.0147984900000000 ]  - [  -0.0021625700000000, -0.0005908400000000, -0.0025718200000000 ]  - [  -0.0051172200000000,  0.0144081700000000,  0.0091084700000000 ]  - [  -0.0021638900000000,  0.0000107100000000, -0.0025697800000000 ]  - [  -0.0021626200000000, -0.0000149700000000, -0.0025752300000000 ]  - [  -0.0021550900000000,  0.0000054400000000, -0.0025804800000000 ]  - [   0.0021764200000000,  0.0000248000000000,  0.0025526800000000 ]  - [   0.0021628000000000, -0.0000421900000000,  0.0025752700000000 ]  - [   0.0021417000000000,  0.0000185800000000,  0.0025985900000000 ]  - [   0.0025377700000000,  0.0002331100000000,  0.0027183500000000 ]  - [   0.0021650900000000, -0.0005790000000000,  0.0025739600000000 ]  - [   0.0017832100000000,  0.0002271000000000,  0.0024358800000000 ]  - [  -0.0005792000000000,  0.0000452800000000,  0.0018611300000000 ]  - [  -0.0008521200000000, -0.0000406600000000,  0.0020950700000000 ]  - [  -0.0011300400000000,  0.0000376100000000,  0.0023265000000000 ]  - [  -0.0007895100000000,  0.0000399700000000,  0.0021611900000000 ]  - [  -0.0008521000000000, -0.0000711600000000,  0.0020960800000000 ]  - [  -0.0009175700000000,  0.0000323500000000,  0.0020299900000000 ]  - [   0.0006019900000000,  0.0001918200000000, -0.0025229600000000 ]  - [   0.0008519100000000, -0.0001777900000000, -0.0020961300000000 ]  - [   0.0011076200000000,  0.0001823200000000, -0.0016646000000000 ]  - [   0.0008607000000000,  0.0000136800000000, -0.0020082000000000 ]  - [   0.0008524700000000, -0.0000085200000000, -0.0020952100000000 ]  - [   0.0008471700000000,  0.0000066500000000, -0.0021812500000000 ]  - [  -0.0021622200000000,  0.0001410600000000, -0.0025759500000000 ]  - [  -0.0023002300000000, -0.0000483200000000, -0.0025538700000000 ]  - [  -0.0020187400000000, -0.0000432300000000, -0.0025973500000000 ]  - [  -0.0021626600000000,  0.0000452800000000, -0.0025749900000000 ]  - [  -0.0021578500000000, -0.0000260900000000, -0.0025744000000000 ]  - [  -0.0021605300000000, -0.0000212200000000, -0.0025762100000000 ]  - [   0.0021628400000000,  0.0000241800000000,  0.0025750100000000 ]  - [   0.0021493500000000, -0.0000204200000000,  0.0025742700000000 ]  - [   0.0021693800000000, -0.0000153700000000,  0.0025761900000000 ]  - [   0.0021612300000000,  0.0004679600000000,  0.0025756500000000 ]  - [   0.0022907800000000, -0.0003018500000000,  0.0027316300000000 ]  - [   0.0020283400000000, -0.0002966700000000,  0.0024187500000000 ]- atom:    1  displacement:    [  -0.0048210325901584,  0.0000000000000000,  0.0087611440328664 ]  forces:  - [   0.0306318600000000,  0.0000000000000000, -0.0460532100000000 ]  - [   0.0005789800000000,  0.0001474500000000, -0.0011998100000000 ]  - [   0.0005789800000000, -0.0001474500000000, -0.0011998100000000 ]  - [   0.0001757800000000,  0.0000000000000000, -0.0004176800000000 ]  - [   0.0001837400000000,  0.0000414600000000, -0.0004129400000000 ]  - [   0.0001837400000000, -0.0000414600000000, -0.0004129400000000 ]  - [  -0.0003487400000000,  0.0000000000000000,  0.0007455600000000 ]  - [  -0.0002210200000000,  0.0000712500000000,  0.0005287400000000 ]  - [  -0.0002210200000000, -0.0000712500000000,  0.0005287400000000 ]  - [  -0.0007675900000000,  0.0000000000000000,  0.0010577800000000 ]  - [  -0.0002444000000000, -0.0000361700000000,  0.0006099700000000 ]  - [  -0.0002444000000000,  0.0000361700000000,  0.0006099700000000 ]  - [   0.0008456500000000, -0.0000543800000000,  0.0022723900000000 ]  - [   0.0008377700000000,  0.0000000000000000,  0.0021988500000000 ]  - [   0.0008456500000000,  0.0000543800000000,  0.0022723900000000 ]  - [   0.0005866200000000, -0.0000372400000000,  0.0022401800000000 ]  - [   0.0006405900000000,  0.0000000000000000,  0.0022374600000000 ]  - [   0.0005866200000000,  0.0000372400000000,  0.0022401800000000 ]  - [  -0.0012280200000000,  0.0004022000000000, -0.0028178900000000 ]  - [  -0.0006790500000000,  0.0000000000000000, -0.0022894900000000 ]  - [  -0.0012280200000000, -0.0004022000000000, -0.0028178900000000 ]  - [  -0.0008049100000000, -0.0000480700000000, -0.0021584700000000 ]  - [  -0.0008106300000000,  0.0000000000000000, -0.0021659100000000 ]  - [  -0.0008049100000000,  0.0000480700000000, -0.0021584700000000 ]  - [  -0.0016263600000000,  0.0003191600000000,  0.0018709400000000 ]  - [  -0.0010225500000000,  0.0000000000000000,  0.0014216800000000 ]  - [  -0.0016263600000000, -0.0003191600000000,  0.0018709400000000 ]  - [  -0.0008819600000000, -0.0001422300000000,  0.0016548800000000 ]  - [  -0.0010046200000000,  0.0000000000000000,  0.0017232300000000 ]  - [  -0.0008819600000000,  0.0001422300000000,  0.0016548800000000 ]  - [   0.0033681400000000,  0.0013255200000000, -0.0005275000000000 ]  - [   0.0010193600000000,  0.0000000000000000, -0.0016549100000000 ]  - [   0.0033681400000000, -0.0013255200000000, -0.0005275000000000 ]  - [   0.0009674700000000, -0.0000436000000000, -0.0013817100000000 ]  - [   0.0009770700000000,  0.0000000000000000, -0.0013950800000000 ]  - [   0.0009674700000000,  0.0000436000000000, -0.0013817100000000 ]  - [   0.0001031800000000, -0.0000415100000000, -0.0004924500000000 ]  - [   0.0001462100000000,  0.0000000000000000, -0.0004884000000000 ]  - [   0.0001031800000000,  0.0000415100000000, -0.0004924500000000 ]  - [   0.0002628900000000, -0.0000378700000000, -0.0004057400000000 ]  - [   0.0002545000000000,  0.0000000000000000, -0.0004374900000000 ]  - [   0.0002628900000000,  0.0000378700000000, -0.0004057400000000 ]  - [  -0.0001906700000000, -0.0000295800000000,  0.0004718700000000 ]  - [  -0.0002425900000000,  0.0000000000000000,  0.0004987700000000 ]  - [  -0.0001906700000000,  0.0000295800000000,  0.0004718700000000 ]  - [  -0.0001475800000000, -0.0000536000000000,  0.0004230300000000 ]  - [  -0.0001082300000000,  0.0000000000000000,  0.0004534900000000 ]  - [  -0.0001475800000000,  0.0000536000000000,  0.0004230300000000 ]  - [   0.0006878200000000,  0.0000000000000000,  0.0022558200000000 ]  - [   0.0007139700000000,  0.0000561100000000,  0.0022374000000000 ]  - [   0.0007139700000000, -0.0000561100000000,  0.0022374000000000 ]  - [   0.0013042900000000,  0.0000000000000000,  0.0046533300000000 ]  - [   0.0011106000000000, -0.0004723300000000,  0.0021988800000000 ]  - [   0.0011106000000000,  0.0004723300000000,  0.0021988800000000 ]  - [  -0.0012860800000000,  0.0000000000000000, -0.0029178400000000 ]  - [  -0.0011657500000000, -0.0000112900000000, -0.0024556600000000 ]  - [  -0.0011657500000000,  0.0000112900000000, -0.0024556600000000 ]  - [  -0.0007432300000000,  0.0000000000000000, -0.0021637100000000 ]  - [  -0.0007266200000000,  0.0000579500000000, -0.0021951900000000 ]  - [  -0.0007266200000000, -0.0000579500000000, -0.0021951900000000 ]  - [  -0.0010637700000000,  0.0000000000000000,  0.0007661900000000 ]  - [  -0.0009055100000000,  0.0001654400000000,  0.0013662800000000 ]  - [  -0.0009055100000000, -0.0001654400000000,  0.0013662800000000 ]  - [  -0.0009728100000000,  0.0000000000000000,  0.0015121500000000 ]  - [  -0.0009677000000000,  0.0000444800000000,  0.0015020400000000 ]  - [  -0.0009677000000000, -0.0000444800000000,  0.0015020400000000 ]  - [   0.0008992500000000,  0.0000000000000000, -0.0015529700000000 ]  - [   0.0008973200000000,  0.0001092300000000, -0.0015404700000000 ]  - [   0.0008973200000000, -0.0001092300000000, -0.0015404700000000 ]  - [   0.0011615000000000,  0.0000000000000000, -0.0010305800000000 ]  - [   0.0010809100000000,  0.0000450800000000, -0.0012629300000000 ]  - [   0.0010809100000000, -0.0000450800000000, -0.0012629300000000 ]  - [  -0.0221750200000000,  0.0000000000000000,  0.0056099400000000 ]  - [  -0.0010402100000000, -0.0002368800000000,  0.0027739700000000 ]  - [  -0.0010402100000000,  0.0002368800000000,  0.0027739700000000 ]  - [  -0.0008444100000000,  0.0000000000000000,  0.0019653300000000 ]  - [  -0.0008569300000000,  0.0000010400000000,  0.0019902600000000 ]  - [  -0.0008569300000000, -0.0000010400000000,  0.0019902600000000 ]  - [   0.0012922700000000,  0.0000000000000000, -0.0025292000000000 ]  - [   0.0009486300000000, -0.0002455300000000, -0.0022975600000000 ]  - [   0.0009486300000000,  0.0002455300000000, -0.0022975600000000 ]  - [   0.0006383400000000,  0.0000000000000000, -0.0027424000000000 ]  - [   0.0008657300000000, -0.0000931500000000, -0.0022333400000000 ]  - [   0.0008657300000000,  0.0000931500000000, -0.0022333400000000 ]  - [  -0.0080297600000000, -0.0148138500000000,  0.0168527000000000 ]  - [  -0.0023874300000000,  0.0000000000000000, -0.0021279500000000 ]  - [  -0.0080297600000000,  0.0148138500000000,  0.0168527000000000 ]  - [  -0.0020822700000000,  0.0000012800000000, -0.0026119200000000 ]  - [  -0.0020907500000000,  0.0000000000000000, -0.0026105400000000 ]  - [  -0.0020822700000000, -0.0000012800000000, -0.0026119200000000 ]  - [   0.0021473700000000, -0.0001418800000000,  0.0024126600000000 ]  - [   0.0021075400000000,  0.0000000000000000,  0.0025383000000000 ]  - [   0.0021473700000000,  0.0001418800000000,  0.0024126600000000 ]  - [   0.0020998900000000,  0.0003245100000000,  0.0032233800000000 ]  - [   0.0025552100000000,  0.0000000000000000,  0.0023723900000000 ]  - [   0.0020998900000000, -0.0003245100000000,  0.0032233800000000 ]  - [  -0.0003408200000000, -0.0000237200000000,  0.0022877600000000 ]  - [  -0.0008436100000000,  0.0000000000000000,  0.0022458600000000 ]  - [  -0.0003408200000000,  0.0000237200000000,  0.0022877600000000 ]  - [  -0.0009695300000000,  0.0000613800000000,  0.0017305200000000 ]  - [  -0.0009490500000000,  0.0000000000000000,  0.0018206100000000 ]  - [  -0.0009695300000000, -0.0000613800000000,  0.0017305200000000 ]  - [   0.0003709000000000,  0.0001860100000000, -0.0024400500000000 ]  - [   0.0008724200000000,  0.0000000000000000, -0.0020557900000000 ]  - [   0.0003709000000000, -0.0001860100000000, -0.0024400500000000 ]  - [   0.0008587300000000,  0.0000137700000000, -0.0021478200000000 ]  - [   0.0008244500000000,  0.0000000000000000, -0.0021648900000000 ]  - [   0.0008587300000000, -0.0000137700000000, -0.0021478200000000 ]  - [  -0.0018650600000000,  0.0000000000000000, -0.0026541400000000 ]  - [  -0.0019909500000000, -0.0000032100000000, -0.0026061500000000 ]  - [  -0.0019909500000000,  0.0000032100000000, -0.0026061500000000 ]  - [  -0.0022726800000000,  0.0000000000000000, -0.0026061200000000 ]  - [  -0.0022193900000000, -0.0000331000000000, -0.0025985400000000 ]  - [  -0.0022193900000000,  0.0000331000000000, -0.0025985400000000 ]  - [   0.0022123700000000,  0.0000000000000000,  0.0025834900000000 ]  - [   0.0022063500000000, -0.0000020100000000,  0.0025776600000000 ]  - [   0.0022063500000000,  0.0000020100000000,  0.0025776600000000 ]  - [   0.0020927300000000,  0.0000000000000000,  0.0029385000000000 ]  - [   0.0020165700000000, -0.0002381300000000,  0.0027904100000000 ]  - [   0.0020165700000000,  0.0002381300000000,  0.0027904100000000 ]- atom:    1  displacement:    [   0.0048210325901584,  0.0000000000000000, -0.0087611440328664 ]  forces:  - [  -0.0304659000000000,  0.0000000000000000,  0.0458275400000000 ]  - [  -0.0001378400000000, -0.0000690000000000,  0.0002627800000000 ]  - [  -0.0001378400000000,  0.0000690000000000,  0.0002627800000000 ]  - [   0.0002628000000000,  0.0000000000000000, -0.0005347700000000 ]  - [   0.0002529600000000,  0.0000322000000000, -0.0005199700000000 ]  - [   0.0002529600000000, -0.0000322000000000, -0.0005199700000000 ]  - [  -0.0000935100000000,  0.0000000000000000,  0.0002146100000000 ]  - [  -0.0002158100000000,  0.0000028000000000,  0.0004057700000000 ]  - [  -0.0002158100000000, -0.0000028000000000,  0.0004057700000000 ]  - [   0.0003238500000000,  0.0000000000000000, -0.0001046000000000 ]  - [  -0.0001949500000000,  0.0001078700000000,  0.0003268100000000 ]  - [  -0.0001949500000000, -0.0001078700000000,  0.0003268100000000 ]  - [   0.0007106600000000, -0.0000469700000000,  0.0021548400000000 ]  - [   0.0007215200000000,  0.0000000000000000,  0.0022291700000000 ]  - [   0.0007106600000000,  0.0000469700000000,  0.0021548400000000 ]  - [   0.0009649800000000, -0.0000649000000000,  0.0021888300000000 ]  - [   0.0009152900000000,  0.0000000000000000,  0.0021927000000000 ]  - [   0.0009649800000000,  0.0000649000000000,  0.0021888300000000 ]  - [  -0.0003260800000000, -0.0005091900000000, -0.0016081200000000 ]  - [  -0.0008790300000000,  0.0000000000000000, -0.0021393600000000 ]  - [  -0.0003260800000000,  0.0005091900000000, -0.0016081200000000 ]  - [  -0.0007513800000000, -0.0000535000000000, -0.0022684600000000 ]  - [  -0.0007489000000000,  0.0000000000000000, -0.0022625400000000 ]  - [  -0.0007513800000000,  0.0000535000000000, -0.0022684600000000 ]  - [  -0.0003720000000000, -0.0003976800000000,  0.0010763100000000 ]  - [  -0.0009668100000000,  0.0000000000000000,  0.0015257000000000 ]  - [  -0.0003720000000000,  0.0003976800000000,  0.0010763100000000 ]  - [  -0.0011001100000000,  0.0000549100000000,  0.0012825600000000 ]  - [  -0.0009838000000000,  0.0000000000000000,  0.0012279000000000 ]  - [  -0.0011001100000000, -0.0000549100000000,  0.0012825600000000 ]  - [  -0.0013757100000000, -0.0014045200000000, -0.0024105200000000 ]  - [   0.0009709900000000,  0.0000000000000000, -0.0012997600000000 ]  - [  -0.0013757100000000,  0.0014045200000000, -0.0024105200000000 ]  - [   0.0010146700000000, -0.0000443400000000, -0.0015536400000000 ]  - [   0.0010117800000000,  0.0000000000000000, -0.0015514700000000 ]  - [   0.0010146700000000,  0.0000443400000000, -0.0015536400000000 ]  - [   0.0003320200000000, -0.0000319600000000, -0.0004419200000000 ]  - [   0.0002915800000000,  0.0000000000000000, -0.0004650800000000 ]  - [   0.0003320200000000,  0.0000319600000000, -0.0004419200000000 ]  - [   0.0001744600000000, -0.0000355200000000, -0.0005276500000000 ]  - [   0.0001846600000000,  0.0000000000000000, -0.0005153500000000 ]  - [   0.0001744600000000,  0.0000355200000000, -0.0005276500000000 ]  - [  -0.0002466300000000, -0.0000434600000000,  0.0004617400000000 ]  - [  -0.0001975800000000,  0.0000000000000000,  0.0004543800000000 ]  - [  -0.0002466300000000,  0.0000434600000000,  0.0004617400000000 ]  - [  -0.0002898600000000, -0.0000199700000000,  0.0005102400000000 ]  - [  -0.0003319000000000,  0.0000000000000000,  0.0004993200000000 ]  - [  -0.0002898600000000,  0.0000199700000000,  0.0005102400000000 ]  - [   0.0008692000000000,  0.0000000000000000,  0.0021735900000000 ]  - [   0.0008400200000000,  0.0000456500000000,  0.0021904400000000 ]  - [   0.0008400200000000, -0.0000456500000000,  0.0021904400000000 ]  - [   0.0002433400000000,  0.0000000000000000, -0.0002640400000000 ]  - [   0.0004368600000000,  0.0005842300000000,  0.0022254600000000 ]  - [   0.0004368600000000, -0.0005842300000000,  0.0022254600000000 ]  - [  -0.0002798900000000,  0.0000000000000000, -0.0014917500000000 ]  - [  -0.0003922300000000,  0.0001099200000000, -0.0019692600000000 ]  - [  -0.0003922300000000, -0.0001099200000000, -0.0019692600000000 ]  - [  -0.0008147500000000,  0.0000000000000000, -0.0022640000000000 ]  - [  -0.0008279400000000,  0.0000438500000000, -0.0022317400000000 ]  - [  -0.0008279400000000, -0.0000438500000000, -0.0022317400000000 ]  - [  -0.0009275500000000,  0.0000000000000000,  0.0021818400000000 ]  - [  -0.0010779700000000, -0.0000761700000000,  0.0015673800000000 ]  - [  -0.0010779700000000,  0.0000761700000000,  0.0015673800000000 ]  - [  -0.0010157900000000,  0.0000000000000000,  0.0014367200000000 ]  - [  -0.0010147300000000,  0.0000435000000000,  0.0014355400000000 ]  - [  -0.0010147300000000, -0.0000435000000000,  0.0014355400000000 ]  - [   0.0010876400000000,  0.0000000000000000, -0.0013963100000000 ]  - [   0.0010829200000000, -0.0000199400000000, -0.0013975200000000 ]  - [   0.0010829200000000,  0.0000199400000000, -0.0013975200000000 ]  - [   0.0008284600000000,  0.0000000000000000, -0.0019169300000000 ]  - [   0.0009025200000000,  0.0000431900000000, -0.0016725100000000 ]  - [   0.0009025200000000, -0.0000431900000000, -0.0016725100000000 ]  - [   0.0206825700000000,  0.0000000000000000, -0.0012844400000000 ]  - [  -0.0006737500000000,  0.0002229500000000,  0.0014287900000000 ]  - [  -0.0006737500000000, -0.0002229500000000,  0.0014287900000000 ]  - [  -0.0008576100000000,  0.0000000000000000,  0.0022254900000000 ]  - [  -0.0008494200000000, -0.0000081900000000,  0.0021987600000000 ]  - [  -0.0008494200000000,  0.0000081900000000,  0.0021987600000000 ]  - [   0.0004173500000000,  0.0000000000000000, -0.0016701700000000 ]  - [   0.0007587400000000,  0.0002339600000000, -0.0018967200000000 ]  - [   0.0007587400000000, -0.0002339600000000, -0.0018967200000000 ]  - [   0.0010667700000000,  0.0000000000000000, -0.0014571400000000 ]  - [   0.0008354500000000,  0.0000832100000000, -0.0019602400000000 ]  - [   0.0008354500000000, -0.0000832100000000, -0.0019602400000000 ]  - [   0.0037727300000000,  0.0153630900000000, -0.0224311300000000 ]  - [  -0.0019495300000000,  0.0000000000000000, -0.0030211000000000 ]  - [   0.0037727300000000, -0.0153630900000000, -0.0224311300000000 ]  - [  -0.0022398900000000,  0.0000038700000000, -0.0025422200000000 ]  - [  -0.0022378300000000,  0.0000000000000000, -0.0025437300000000 ]  - [  -0.0022398900000000, -0.0000038700000000, -0.0025422200000000 ]  - [   0.0021746800000000,  0.0001444200000000,  0.0027395700000000 ]  - [   0.0022211800000000,  0.0000000000000000,  0.0026160500000000 ]  - [   0.0021746800000000, -0.0001444200000000,  0.0027395700000000 ]  - [   0.0022261800000000, -0.0003213500000000,  0.0019143500000000 ]  - [   0.0017788200000000,  0.0000000000000000,  0.0027806900000000 ]  - [   0.0022261800000000,  0.0003213500000000,  0.0019143500000000 ]  - [  -0.0013580100000000,  0.0000298100000000,  0.0019085900000000 ]  - [  -0.0008581000000000,  0.0000000000000000,  0.0019485800000000 ]  - [  -0.0013580100000000, -0.0000298100000000,  0.0019085900000000 ]  - [  -0.0007372300000000, -0.0000545900000000,  0.0024585300000000 ]  - [  -0.0007545300000000,  0.0000000000000000,  0.0023698600000000 ]  - [  -0.0007372300000000,  0.0000545900000000,  0.0024585300000000 ]  - [   0.0013329100000000, -0.0001797000000000, -0.0017504800000000 ]  - [   0.0008314700000000,  0.0000000000000000, -0.0021324500000000 ]  - [   0.0013329100000000,  0.0001797000000000, -0.0017504800000000 ]  - [   0.0008475500000000, -0.0000070300000000, -0.0020440800000000 ]  - [   0.0008781400000000,  0.0000000000000000, -0.0020285000000000 ]  - [   0.0008475500000000,  0.0000070300000000, -0.0020440800000000 ]  - [  -0.0024603900000000,  0.0000000000000000, -0.0025003400000000 ]  - [  -0.0023292900000000, -0.0000022000000000, -0.0025480700000000 ]  - [  -0.0023292900000000,  0.0000022000000000, -0.0025480700000000 ]  - [  -0.0020592700000000,  0.0000000000000000, -0.0025479200000000 ]  - [  -0.0021048700000000,  0.0000273300000000, -0.0025557400000000 ]  - [  -0.0021048700000000, -0.0000273300000000, -0.0025557400000000 ]  - [   0.0021184300000000,  0.0000000000000000,  0.0025708100000000 ]  - [   0.0021179800000000, -0.0000034900000000,  0.0025770000000000 ]  - [   0.0021179800000000,  0.0000034900000000,  0.0025770000000000 ]  - [   0.0022360400000000,  0.0000000000000000,  0.0022193100000000 ]  - [   0.0023078300000000,  0.0002313800000000,  0.0023644100000000 ]  - [   0.0023078300000000, -0.0002313800000000,  0.0023644100000000 ]- atom:   13  displacement:    [   0.0099998577487433,  0.0000000000000000,  0.0000533385873285 ]  forces:  - [   0.0001284400000000, -0.0000274100000000, -0.0004432900000000 ]  - [   0.0001284400000000,  0.0000274100000000, -0.0004432900000000 ]  - [   0.0001491800000000,  0.0000000000000000, -0.0004379200000000 ]  - [   0.0004904400000000,  0.0000720900000000, -0.0005358200000000 ]  - [   0.0004904400000000, -0.0000720900000000, -0.0005358200000000 ]  - [   0.0003288400000000,  0.0000000000000000, -0.0005605000000000 ]  - [   0.0025982100000000,  0.0021270400000000,  0.0015056000000000 ]  - [   0.0025982100000000, -0.0021270400000000,  0.0015056000000000 ]  - [  -0.0003292200000000,  0.0000000000000000,  0.0005177300000000 ]  - [  -0.0001448600000000, -0.0000192000000000,  0.0004817200000000 ]  - [  -0.0001448600000000,  0.0000192000000000,  0.0004817200000000 ]  - [  -0.0001468300000000,  0.0000000000000000,  0.0004707000000000 ]  - [  -0.0533896300000000,  0.0000000000000000,  0.0044887200000000 ]  - [   0.0000856000000000, -0.0001288200000000,  0.0019605000000000 ]  - [   0.0000856000000000,  0.0001288200000000,  0.0019605000000000 ]  - [   0.0008505300000000,  0.0000000000000000,  0.0021531000000000 ]  - [   0.0008448400000000, -0.0000264200000000,  0.0021658200000000 ]  - [   0.0008448400000000,  0.0000264200000000,  0.0021658200000000 ]  - [  -0.0008316500000000,  0.0000000000000000, -0.0021492300000000 ]  - [  -0.0008368100000000, -0.0000252800000000, -0.0021597100000000 ]  - [  -0.0008368100000000,  0.0000252800000000, -0.0021597100000000 ]  - [   0.0005374900000000,  0.0000000000000000, -0.0020566800000000 ]  - [  -0.0004098900000000,  0.0001113700000000, -0.0021545300000000 ]  - [  -0.0004098900000000, -0.0001113700000000, -0.0021545300000000 ]  - [  -0.0008030900000000,  0.0000000000000000,  0.0018081400000000 ]  - [  -0.0008769400000000, -0.0001434700000000,  0.0017668500000000 ]  - [  -0.0008769400000000,  0.0001434700000000,  0.0017668500000000 ]  - [  -0.0007031100000000,  0.0000000000000000,  0.0017694400000000 ]  - [  -0.0008449100000000, -0.0000132700000000,  0.0016405800000000 ]  - [  -0.0008449100000000,  0.0000132700000000,  0.0016405800000000 ]  - [  -0.0004054800000000,  0.0000000000000000, -0.0010571000000000 ]  - [   0.0007753600000000, -0.0000789100000000, -0.0015758300000000 ]  - [   0.0007753600000000,  0.0000789100000000, -0.0015758300000000 ]  - [   0.0009209000000000,  0.0000000000000000, -0.0017401100000000 ]  - [   0.0009707800000000, -0.0000871400000000, -0.0017254300000000 ]  - [   0.0009707800000000,  0.0000871400000000, -0.0017254300000000 ]  - [   0.0003261600000000,  0.0000000000000000, -0.0005093300000000 ]  - [   0.0003025900000000, -0.0000167900000000, -0.0004959700000000 ]  - [   0.0003025900000000,  0.0000167900000000, -0.0004959700000000 ]  - [  -0.0000905500000000,  0.0000000000000000, -0.0000254800000000 ]  - [  -0.0002242200000000,  0.0004798200000000, -0.0003266100000000 ]  - [  -0.0002242200000000, -0.0004798200000000, -0.0003266100000000 ]  - [   0.0014960400000000,  0.0000000000000000,  0.0008331000000000 ]  - [   0.0000228700000000,  0.0002565800000000,  0.0001620600000000 ]  - [   0.0000228700000000, -0.0002565800000000,  0.0001620600000000 ]  - [  -0.0002958600000000,  0.0000000000000000,  0.0004639300000000 ]  - [  -0.0002961700000000, -0.0000255900000000,  0.0004858700000000 ]  - [  -0.0002961700000000,  0.0000255900000000,  0.0004858700000000 ]  - [   0.0014041000000000,  0.0000484700000000,  0.0020999800000000 ]  - [   0.0014041000000000, -0.0000484700000000,  0.0020999800000000 ]  - [   0.0011662000000000,  0.0000000000000000,  0.0021631900000000 ]  - [   0.0007071600000000, -0.0000232300000000,  0.0022847600000000 ]  - [   0.0007071600000000,  0.0000232300000000,  0.0022847600000000 ]  - [   0.0007106900000000,  0.0000000000000000,  0.0022795700000000 ]  - [  -0.0007223500000000, -0.0000327800000000, -0.0022942500000000 ]  - [  -0.0007223500000000,  0.0000327800000000, -0.0022942500000000 ]  - [  -0.0007136600000000,  0.0000000000000000, -0.0022545700000000 ]  - [   0.0021345400000000,  0.0034156000000000, -0.0055728700000000 ]  - [   0.0021345400000000, -0.0034156000000000, -0.0055728700000000 ]  - [  -0.0010838200000000,  0.0000000000000000, -0.0022280500000000 ]  - [  -0.0011768100000000, -0.0005937200000000,  0.0009121700000000 ]  - [  -0.0011768100000000,  0.0005937200000000,  0.0009121700000000 ]  - [  -0.0009924400000000,  0.0000000000000000,  0.0012492000000000 ]  - [  -0.0011117400000000, -0.0000385700000000,  0.0011253000000000 ]  - [  -0.0011117400000000,  0.0000385700000000,  0.0011253000000000 ]  - [  -0.0011202000000000,  0.0000000000000000,  0.0013728700000000 ]  - [   0.0012113100000000, -0.0000247900000000, -0.0012975200000000 ]  - [   0.0012113100000000,  0.0000247900000000, -0.0012975200000000 ]  - [   0.0011405900000000,  0.0000000000000000, -0.0013557800000000 ]  - [   0.0010996500000000, -0.0000965100000000, -0.0011554300000000 ]  - [   0.0010996500000000,  0.0000965100000000, -0.0011554300000000 ]  - [   0.0009942100000000,  0.0000000000000000, -0.0010888500000000 ]  - [  -0.0005077200000000, -0.0001436400000000,  0.0023498200000000 ]  - [  -0.0005077200000000,  0.0001436400000000,  0.0023498200000000 ]  - [  -0.0007009400000000,  0.0000000000000000,  0.0022405700000000 ]  - [  -0.0014851500000000,  0.0001156200000000,  0.0027845100000000 ]  - [  -0.0014851500000000, -0.0001156200000000,  0.0027845100000000 ]  - [  -0.0006147800000000,  0.0000000000000000,  0.0022696300000000 ]  - [  -0.0000451000000000,  0.0000434800000000, -0.0023130300000000 ]  - [  -0.0000451000000000, -0.0000434800000000, -0.0023130300000000 ]  - [   0.0007517700000000,  0.0000000000000000, -0.0021999100000000 ]  - [   0.0006798300000000,  0.0000523200000000, -0.0024266000000000 ]  - [   0.0006798300000000, -0.0000523200000000, -0.0024266000000000 ]  - [   0.0006870800000000,  0.0000000000000000, -0.0023655000000000 ]  - [  -0.0020740300000000,  0.0000000000000000, -0.0026405600000000 ]  - [  -0.0020696300000000,  0.0000102500000000, -0.0026343900000000 ]  - [  -0.0020696300000000, -0.0000102500000000, -0.0026343900000000 ]  - [  -0.0025584500000000,  0.0000000000000000, -0.0025503200000000 ]  - [  -0.0026188900000000,  0.0000929900000000, -0.0025191000000000 ]  - [  -0.0026188900000000, -0.0000929900000000, -0.0025191000000000 ]  - [  -0.0001151500000000,  0.0000000000000000,  0.0025635000000000 ]  - [   0.0023227800000000,  0.0010340600000000,  0.0025922400000000 ]  - [   0.0023227800000000, -0.0010340600000000,  0.0025922400000000 ]  - [   0.0020905900000000,  0.0000000000000000,  0.0026265800000000 ]  - [   0.0020808600000000, -0.0000089900000000,  0.0026211700000000 ]  - [   0.0020808600000000,  0.0000089900000000,  0.0026211700000000 ]  - [  -0.0011120100000000,  0.0000000000000000,  0.0018414200000000 ]  - [  -0.0010420900000000, -0.0000033700000000,  0.0018655100000000 ]  - [  -0.0010420900000000,  0.0000033700000000,  0.0018655100000000 ]  - [  -0.0011466300000000,  0.0000000000000000,  0.0010424000000000 ]  - [  -0.0011595700000000,  0.0000173300000000,  0.0018561900000000 ]  - [  -0.0011595700000000, -0.0000173300000000,  0.0018561900000000 ]  - [   0.0253841100000000,  0.0000000000000000, -0.0150301900000000 ]  - [   0.0013301000000000, -0.0001363300000000, -0.0021122900000000 ]  - [   0.0013301000000000,  0.0001363300000000, -0.0021122900000000 ]  - [   0.0009654500000000,  0.0000000000000000, -0.0018061300000000 ]  - [   0.0009758100000000,  0.0000744600000000, -0.0018860500000000 ]  - [   0.0009758100000000, -0.0000744600000000, -0.0018860500000000 ]  - [  -0.0022715600000000,  0.0000133000000000, -0.0024988000000000 ]  - [  -0.0022715600000000, -0.0000133000000000, -0.0024988000000000 ]  - [  -0.0022537400000000,  0.0000000000000000, -0.0025191200000000 ]  - [   0.0084668800000000, -0.0079989700000000,  0.0048277900000000 ]  - [   0.0084668800000000,  0.0079989700000000,  0.0048277900000000 ]  - [  -0.0015831700000000,  0.0000000000000000, -0.0022696900000000 ]  - [   0.0022216200000000,  0.0004654800000000,  0.0029280900000000 ]  - [   0.0022216200000000, -0.0004654800000000,  0.0029280900000000 ]  - [   0.0017757200000000,  0.0000000000000000,  0.0025465500000000 ]  - [   0.0022590300000000, -0.0000104000000000,  0.0025222100000000 ]  - [   0.0022590300000000,  0.0000104000000000,  0.0025222100000000 ]  - [   0.0022521300000000,  0.0000000000000000,  0.0025222800000000 ]- atom:   13  displacement:    [  -0.0099998577487433,  0.0000000000000000, -0.0000533385873285 ]  forces:  - [   0.0003122100000000, -0.0000096400000000, -0.0005041600000000 ]  - [   0.0003122100000000,  0.0000096400000000, -0.0005041600000000 ]  - [   0.0002903900000000,  0.0000000000000000, -0.0004997600000000 ]  - [  -0.0000539300000000, -0.0001106500000000, -0.0004111000000000 ]  - [  -0.0000539300000000,  0.0001106500000000, -0.0004111000000000 ]  - [   0.0001080900000000,  0.0000000000000000, -0.0003759200000000 ]  - [  -0.0030891000000000, -0.0022091200000000, -0.0005800400000000 ]  - [  -0.0030891000000000,  0.0022091200000000, -0.0005800400000000 ]  - [  -0.0001073300000000,  0.0000000000000000,  0.0004194000000000 ]  - [  -0.0002954400000000, -0.0000176100000000,  0.0004659300000000 ]  - [  -0.0002954400000000,  0.0000176100000000,  0.0004659300000000 ]  - [  -0.0002924700000000,  0.0000000000000000,  0.0004671400000000 ]  - [   0.0541953700000000,  0.0000000000000000,  0.0002242800000000 ]  - [   0.0014737300000000,  0.0000766900000000,  0.0024662300000000 ]  - [   0.0014737300000000, -0.0000766900000000,  0.0024662300000000 ]  - [   0.0006980800000000,  0.0000000000000000,  0.0022765000000000 ]  - [   0.0007052700000000, -0.0000244100000000,  0.0022646800000000 ]  - [   0.0007052700000000,  0.0000244100000000,  0.0022646800000000 ]  - [  -0.0007168400000000,  0.0000000000000000, -0.0022805600000000 ]  - [  -0.0007135200000000, -0.0000255000000000, -0.0022707800000000 ]  - [  -0.0007135200000000,  0.0000255000000000, -0.0022707800000000 ]  - [  -0.0020936700000000,  0.0000000000000000, -0.0023687200000000 ]  - [  -0.0011495900000000, -0.0001616700000000, -0.0022774100000000 ]  - [  -0.0011495900000000,  0.0001616700000000, -0.0022774100000000 ]  - [  -0.0011811100000000,  0.0000000000000000,  0.0011232400000000 ]  - [  -0.0011102700000000,  0.0001012900000000,  0.0011697900000000 ]  - [  -0.0011102700000000, -0.0001012900000000,  0.0011697900000000 ]  - [  -0.0012800600000000,  0.0000000000000000,  0.0011645700000000 ]  - [  -0.0011423400000000, -0.0000305000000000,  0.0012982500000000 ]  - [  -0.0011423400000000,  0.0000305000000000,  0.0012982500000000 ]  - [   0.0023831000000000,  0.0000000000000000, -0.0018430800000000 ]  - [   0.0012120200000000,  0.0000350000000000, -0.0013618300000000 ]  - [   0.0012120200000000, -0.0000350000000000, -0.0013618300000000 ]  - [   0.0010628500000000,  0.0000000000000000, -0.0011910500000000 ]  - [   0.0010152000000000,  0.0000438400000000, -0.0012124100000000 ]  - [   0.0010152000000000, -0.0000438400000000, -0.0012124100000000 ]  - [   0.0001113700000000,  0.0000000000000000, -0.0004282600000000 ]  - [   0.0001358700000000, -0.0000198600000000, -0.0004511900000000 ]  - [   0.0001358700000000,  0.0000198600000000, -0.0004511900000000 ]  - [   0.0005194500000000,  0.0000000000000000, -0.0009380900000000 ]  - [   0.0006575900000000, -0.0005072300000000, -0.0006174500000000 ]  - [   0.0006575900000000,  0.0005072300000000, -0.0006174500000000 ]  - [  -0.0019273800000000,  0.0000000000000000,  0.0001132300000000 ]  - [  -0.0004655100000000, -0.0002949200000000,  0.0007859200000000 ]  - [  -0.0004655100000000,  0.0002949200000000,  0.0007859200000000 ]  - [  -0.0001415100000000,  0.0000000000000000,  0.0004735800000000 ]  - [  -0.0001423800000000, -0.0000111000000000,  0.0004614900000000 ]  - [  -0.0001423800000000,  0.0000111000000000,  0.0004614900000000 ]  - [   0.0001396600000000, -0.0001010300000000,  0.0023315600000000 ]  - [   0.0001396600000000,  0.0001010300000000,  0.0023315600000000 ]  - [   0.0003777700000000,  0.0000000000000000,  0.0022665200000000 ]  - [   0.0008452300000000, -0.0000274800000000,  0.0021447600000000 ]  - [   0.0008452300000000,  0.0000274800000000,  0.0021447600000000 ]  - [   0.0008399600000000,  0.0000000000000000,  0.0021488800000000 ]  - [  -0.0008298300000000, -0.0000176100000000, -0.0021347100000000 ]  - [  -0.0008298300000000,  0.0000176100000000, -0.0021347100000000 ]  - [  -0.0008368400000000,  0.0000000000000000, -0.0021731900000000 ]  - [  -0.0037088600000000, -0.0035091100000000,  0.0011839400000000 ]  - [  -0.0037088600000000,  0.0035091100000000,  0.0011839400000000 ]  - [  -0.0004610800000000,  0.0000000000000000, -0.0022016000000000 ]  - [  -0.0008095300000000,  0.0005366700000000,  0.0020271900000000 ]  - [  -0.0008095300000000, -0.0005366700000000,  0.0020271900000000 ]  - [  -0.0009909900000000,  0.0000000000000000,  0.0016952100000000 ]  - [  -0.0008720100000000, -0.0000048400000000,  0.0018189300000000 ]  - [  -0.0008720100000000,  0.0000048400000000,  0.0018189300000000 ]  - [  -0.0008610300000000,  0.0000000000000000,  0.0015636100000000 ]  - [   0.0007720500000000, -0.0000194900000000, -0.0016455200000000 ]  - [   0.0007720500000000,  0.0000194900000000, -0.0016455200000000 ]  - [   0.0008399900000000,  0.0000000000000000, -0.0015804900000000 ]  - [   0.0008844600000000,  0.0000520400000000, -0.0017858200000000 ]  - [   0.0008844600000000, -0.0000520400000000, -0.0017858200000000 ]  - [   0.0009875200000000,  0.0000000000000000, -0.0018491700000000 ]  - [  -0.0012002800000000,  0.0001437900000000,  0.0018380900000000 ]  - [  -0.0012002800000000, -0.0001437900000000,  0.0018380900000000 ]  - [  -0.0010109800000000,  0.0000000000000000,  0.0019452100000000 ]  - [  -0.0002193900000000, -0.0001136100000000,  0.0014034400000000 ]  - [  -0.0002193900000000,  0.0001136100000000,  0.0014034400000000 ]  - [  -0.0010963700000000,  0.0000000000000000,  0.0019183600000000 ]  - [   0.0017603500000000, -0.0000415700000000, -0.0018775200000000 ]  - [   0.0017603500000000,  0.0000415700000000, -0.0018775200000000 ]  - [   0.0009589200000000,  0.0000000000000000, -0.0019886000000000 ]  - [   0.0010285800000000, -0.0000478700000000, -0.0017623200000000 ]  - [   0.0010285800000000,  0.0000478700000000, -0.0017623200000000 ]  - [   0.0010235600000000,  0.0000000000000000, -0.0018219300000000 ]  - [  -0.0022462300000000,  0.0000000000000000, -0.0025087400000000 ]  - [  -0.0022540300000000, -0.0000080100000000, -0.0025159600000000 ]  - [  -0.0022540300000000,  0.0000080100000000, -0.0025159600000000 ]  - [  -0.0017566400000000,  0.0000000000000000, -0.0026006500000000 ]  - [  -0.0016974600000000, -0.0000925500000000, -0.0026323200000000 ]  - [  -0.0016974600000000,  0.0000925500000000, -0.0026323200000000 ]  - [   0.0042325800000000,  0.0000000000000000,  0.0026404400000000 ]  - [   0.0019928800000000, -0.0010411100000000,  0.0025576300000000 ]  - [   0.0019928800000000,  0.0010411100000000,  0.0025576300000000 ]  - [   0.0022296600000000,  0.0000000000000000,  0.0025230300000000 ]  - [   0.0022425000000000,  0.0000113700000000,  0.0025293400000000 ]  - [   0.0022425000000000, -0.0000113700000000,  0.0025293400000000 ]  - [  -0.0005948100000000,  0.0000000000000000,  0.0023521200000000 ]  - [  -0.0006629800000000,  0.0000065500000000,  0.0023281000000000 ]  - [  -0.0006629800000000, -0.0000065500000000,  0.0023281000000000 ]  - [  -0.0005433700000000,  0.0000000000000000,  0.0031447700000000 ]  - [  -0.0005526200000000, -0.0000203200000000,  0.0023395800000000 ]  - [  -0.0005526200000000,  0.0000203200000000,  0.0023395800000000 ]  - [  -0.0227593700000000,  0.0000000000000000,  0.0101037600000000 ]  - [   0.0003703800000000,  0.0001367500000000, -0.0020912500000000 ]  - [   0.0003703800000000, -0.0001367500000000, -0.0020912500000000 ]  - [   0.0007416100000000,  0.0000000000000000, -0.0023871200000000 ]  - [   0.0007302900000000, -0.0000715700000000, -0.0023070400000000 ]  - [   0.0007302900000000,  0.0000715700000000, -0.0023070400000000 ]  - [  -0.0020492000000000, -0.0000102500000000, -0.0026527000000000 ]  - [  -0.0020492000000000,  0.0000102500000000, -0.0026527000000000 ]  - [  -0.0020635800000000,  0.0000000000000000, -0.0026324200000000 ]  - [  -0.0126990500000000,  0.0078023500000000, -0.0098083700000000 ]  - [  -0.0126990500000000, -0.0078023500000000, -0.0098083700000000 ]  - [  -0.0027463700000000,  0.0000000000000000, -0.0028754800000000 ]  - [   0.0021207300000000, -0.0004602300000000,  0.0022316400000000 ]  - [   0.0021207300000000,  0.0004602300000000,  0.0022316400000000 ]  - [   0.0025552900000000,  0.0000000000000000,  0.0026002400000000 ]  - [   0.0020619400000000,  0.0000128900000000,  0.0026293400000000 ]  - [   0.0020619400000000, -0.0000128900000000,  0.0026293400000000 ]  - [   0.0020652300000000,  0.0000000000000000,  0.0026288800000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002395400000000,  0.0000050200000000, -0.0004709100000000 ]  - [   0.0001983000000000,  0.0000417400000000, -0.0004748900000000 ]  - [   0.0002184300000000, -0.0000470500000000, -0.0004680600000000 ]  - [   0.0002519000000000, -0.0000267700000000, -0.0004446200000000 ]  - [   0.0001861200000000,  0.0000092800000000, -0.0005020500000000 ]  - [   0.0002185200000000,  0.0000396300000000, -0.0004682100000000 ]  - [   0.0018443400000000,  0.0010493100000000,  0.0010944400000000 ]  - [  -0.0023061200000000,  0.0010925400000000, -0.0001594500000000 ]  - [  -0.0002187700000000,  0.0000613800000000,  0.0004679500000000 ]  - [  -0.0002205000000000, -0.0000029400000000,  0.0004742000000000 ]  - [  -0.0002172200000000,  0.0000337800000000,  0.0004719100000000 ]  - [  -0.0002183000000000, -0.0000302800000000,  0.0004682400000000 ]  - [   0.0005708400000000, -0.0361517300000000,  0.0017458700000000 ]  - [   0.0008816300000000,  0.0009455500000000,  0.0020762100000000 ]  - [   0.0006729400000000,  0.0009483600000000,  0.0023626100000000 ]  - [   0.0007746100000000, -0.0000588000000000,  0.0022146100000000 ]  - [   0.0007772600000000,  0.0000032100000000,  0.0022187500000000 ]  - [   0.0007736300000000,  0.0000540400000000,  0.0022113400000000 ]  - [  -0.0007745700000000, -0.0000539500000000, -0.0022145900000000 ]  - [  -0.0007762000000000,  0.0000018800000000, -0.0022178700000000 ]  - [  -0.0007748000000000,  0.0000527000000000, -0.0022121600000000 ]  - [  -0.0007768600000000, -0.0009526200000000, -0.0022173800000000 ]  - [  -0.0006394100000000,  0.0004482600000000, -0.0022644800000000 ]  - [  -0.0009113100000000,  0.0004985700000000, -0.0021674500000000 ]  - [  -0.0009908000000000, -0.0001088100000000,  0.0014673300000000 ]  - [  -0.0010456000000000,  0.0000480800000000,  0.0014492100000000 ]  - [  -0.0009401500000000,  0.0000924100000000,  0.0014903800000000 ]  - [  -0.0009912100000000, -0.0000605900000000,  0.0014675700000000 ]  - [  -0.0009767500000000,  0.0000188800000000,  0.0015389800000000 ]  - [  -0.0010084800000000,  0.0000627800000000,  0.0014020200000000 ]  - [   0.0009892900000000, -0.0010855700000000, -0.0014525900000000 ]  - [   0.0009616000000000, -0.0000019300000000, -0.0015612800000000 ]  - [   0.0010239000000000,  0.0000425700000000, -0.0013791900000000 ]  - [   0.0009911200000000, -0.0000987800000000, -0.0014670300000000 ]  - [   0.0010159100000000,  0.0000237300000000, -0.0014607200000000 ]  - [   0.0009699300000000,  0.0000678500000000, -0.0014791600000000 ]  - [   0.0002182600000000, -0.0000425200000000, -0.0004680600000000 ]  - [   0.0002207600000000,  0.0000028700000000, -0.0004829200000000 ]  - [   0.0002169400000000,  0.0000396600000000, -0.0004629700000000 ]  - [   0.0002131800000000, -0.0012629700000000, -0.0004730300000000 ]  - [   0.0001427800000000,  0.0005062000000000,  0.0000870600000000 ]  - [   0.0002917100000000,  0.0005363100000000, -0.0010268000000000 ]  - [  -0.0002250700000000, -0.0005861900000000,  0.0004685300000000 ]  - [  -0.0000671000000000,  0.0004826700000000,  0.0004933200000000 ]  - [  -0.0003739100000000,  0.0005204100000000,  0.0004525000000000 ]  - [  -0.0002183600000000, -0.0000433200000000,  0.0004680800000000 ]  - [  -0.0002183500000000,  0.0000033200000000,  0.0004865400000000 ]  - [  -0.0002195000000000,  0.0000401300000000,  0.0004595300000000 ]  - [   0.0007022900000000, -0.0000363200000000,  0.0021973400000000 ]  - [   0.0008499700000000,  0.0000142700000000,  0.0022326300000000 ]  - [   0.0007752600000000,  0.0000470900000000,  0.0022143400000000 ]  - [   0.0007742800000000,  0.0000021400000000,  0.0022101000000000 ]  - [   0.0007768300000000,  0.0000528400000000,  0.0022201600000000 ]  - [   0.0007747600000000, -0.0000544600000000,  0.0022148200000000 ]  - [  -0.0007841300000000, -0.0000017800000000, -0.0021740300000000 ]  - [  -0.0007668500000000,  0.0000486800000000, -0.0022556000000000 ]  - [  -0.0007747000000000, -0.0000430500000000, -0.0022145200000000 ]  - [   0.0026809900000000,  0.0021259300000000, -0.0050739100000000 ]  - [  -0.0042731700000000,  0.0021939700000000,  0.0006834400000000 ]  - [  -0.0007763500000000, -0.0000584200000000, -0.0022141700000000 ]  - [  -0.0007376000000000, -0.0000539400000000,  0.0016759700000000 ]  - [  -0.0012502500000000, -0.0000115600000000,  0.0012642600000000 ]  - [  -0.0009916300000000,  0.0000417400000000,  0.0014682600000000 ]  - [  -0.0009906100000000, -0.0000172500000000,  0.0013436100000000 ]  - [  -0.0009947600000000,  0.0000266600000000,  0.0015964900000000 ]  - [  -0.0009911400000000, -0.0000248700000000,  0.0014672700000000 ]  - [   0.0010100100000000, -0.0000055800000000, -0.0014312300000000 ]  - [   0.0009756900000000,  0.0000383700000000, -0.0015085500000000 ]  - [   0.0009910800000000, -0.0000241200000000, -0.0014672400000000 ]  - [   0.0009049800000000, -0.0000986100000000, -0.0014690900000000 ]  - [   0.0010794200000000, -0.0000552000000000, -0.0014695900000000 ]  - [   0.0009913400000000,  0.0001120800000000, -0.0014659200000000 ]  - [  -0.0009351500000000,  0.0000467800000000,  0.0020739400000000 ]  - [  -0.0007717600000000,  0.0000459500000000,  0.0021148300000000 ]  - [  -0.0008541600000000, -0.0000334400000000,  0.0020947100000000 ]  - [  -0.0013539100000000,  0.0001062600000000,  0.0024294100000000 ]  - [  -0.0003508600000000,  0.0001034100000000,  0.0017606400000000 ]  - [  -0.0008538600000000,  0.0000276300000000,  0.0020945900000000 ]  - [   0.0005511700000000,  0.0000396000000000, -0.0021555100000000 ]  - [   0.0011536100000000,  0.0000367600000000, -0.0020359400000000 ]  - [   0.0008542000000000, -0.0000148900000000, -0.0020944900000000 ]  - [   0.0008657500000000,  0.0000219700000000, -0.0020513900000000 ]  - [   0.0008406200000000,  0.0000184600000000, -0.0021405600000000 ]  - [   0.0008537100000000, -0.0000461700000000, -0.0020959000000000 ]  - [  -0.0021594000000000,  0.0000156800000000, -0.0025750500000000 ]  - [  -0.0021788900000000, -0.0000065800000000, -0.0025825400000000 ]  - [  -0.0021432000000000, -0.0000092300000000, -0.0025682400000000 ]  - [  -0.0021586900000000,  0.0000722200000000, -0.0025755000000000 ]  - [  -0.0022677800000000, -0.0000433000000000, -0.0025561700000000 ]  - [  -0.0020559700000000, -0.0000468500000000, -0.0025937400000000 ]  - [   0.0021567900000000,  0.0013826900000000,  0.0025811300000000 ]  - [   0.0024684400000000, -0.0004672300000000,  0.0026216000000000 ]  - [   0.0018566800000000, -0.0004715400000000,  0.0025311500000000 ]  - [   0.0021593900000000,  0.0000190600000000,  0.0025749800000000 ]  - [   0.0021706100000000, -0.0000131600000000,  0.0025828500000000 ]  - [   0.0021509700000000, -0.0000158100000000,  0.0025678400000000 ]  - [  -0.0008542400000000,  0.0000276600000000,  0.0020947800000000 ]  - [  -0.0008434200000000, -0.0000111500000000,  0.0021229500000000 ]  - [  -0.0008630300000000, -0.0000146700000000,  0.0020675500000000 ]  - [  -0.0008472600000000,  0.0002041900000000,  0.0020955400000000 ]  - [  -0.0004568800000000, -0.0000301900000000,  0.0018989400000000 ]  - [  -0.0012435800000000, -0.0000350700000000,  0.0022904000000000 ]  - [   0.0008101100000000,  0.0023253900000000, -0.0020551700000000 ]  - [   0.0017802900000000,  0.0002616200000000, -0.0016249300000000 ]  - [  -0.0000718500000000,  0.0002519900000000, -0.0025635700000000 ]  - [   0.0008540300000000,  0.0000770800000000, -0.0020951300000000 ]  - [   0.0008578900000000, -0.0000365000000000, -0.0021267500000000 ]  - [   0.0008486300000000, -0.0000399300000000, -0.0020639600000000 ]  - [  -0.0021586200000000,  0.0000056300000000, -0.0025765700000000 ]  - [  -0.0021629400000000,  0.0000028800000000, -0.0025743800000000 ]  - [  -0.0021591100000000, -0.0000104300000000, -0.0025752700000000 ]  - [  -0.0090391900000000,  0.0125841800000000, -0.0110807500000000 ]  - [   0.0050346900000000,  0.0129559300000000,  0.0063006800000000 ]  - [  -0.0021597800000000, -0.0002895600000000, -0.0025801800000000 ]  - [   0.0024615700000000,  0.0001845900000000,  0.0030103000000000 ]  - [   0.0018633900000000,  0.0001811200000000,  0.0021432500000000 ]  - [   0.0021601400000000, -0.0007403700000000,  0.0025777000000000 ]  - [   0.0021620500000000,  0.0000065700000000,  0.0025753300000000 ]  - [   0.0021599000000000,  0.0000042800000000,  0.0025752800000000 ]  - [   0.0021591500000000, -0.0000104500000000,  0.0025751400000000 ]- atom:   13  displacement:    [  -0.0048210325901584,  0.0000000000000000,  0.0087611440328664 ]  forces:  - [   0.0003232600000000,  0.0000265000000000, -0.0003943200000000 ]  - [   0.0003232600000000, -0.0000265000000000, -0.0003943200000000 ]  - [   0.0002652900000000,  0.0000000000000000, -0.0004893400000000 ]  - [   0.0000288700000000, -0.0000952000000000, -0.0004484300000000 ]  - [   0.0000288700000000,  0.0000952000000000, -0.0004484300000000 ]  - [   0.0001484000000000,  0.0000000000000000, -0.0004087100000000 ]  - [  -0.0002366900000000, -0.0002743200000000,  0.0001038300000000 ]  - [  -0.0002366900000000,  0.0002743200000000,  0.0001038300000000 ]  - [  -0.0001311000000000,  0.0000000000000000,  0.0003857800000000 ]  - [  -0.0002694200000000, -0.0000001800000000,  0.0005148900000000 ]  - [  -0.0002694200000000,  0.0000001800000000,  0.0005148900000000 ]  - [  -0.0002667300000000,  0.0000000000000000,  0.0005069600000000 ]  - [   0.0283421400000000,  0.0000000000000000, -0.0415237400000000 ]  - [   0.0008916300000000,  0.0001503000000000,  0.0020850600000000 ]  - [   0.0008916300000000, -0.0001503000000000,  0.0020850600000000 ]  - [   0.0006867800000000,  0.0000000000000000,  0.0022708800000000 ]  - [   0.0007019400000000, -0.0000277900000000,  0.0022636200000000 ]  - [   0.0007019400000000,  0.0000277900000000,  0.0022636200000000 ]  - [  -0.0006929200000000,  0.0000000000000000, -0.0022468000000000 ]  - [  -0.0007004900000000, -0.0000275600000000, -0.0022462700000000 ]  - [  -0.0007004900000000,  0.0000275600000000, -0.0022462700000000 ]  - [  -0.0012766600000000,  0.0000000000000000, -0.0024253600000000 ]  - [  -0.0009038700000000, -0.0001342900000000, -0.0021751200000000 ]  - [  -0.0009038700000000,  0.0001342900000000, -0.0021751200000000 ]  - [  -0.0010628900000000,  0.0000000000000000,  0.0012174100000000 ]  - [  -0.0010288800000000,  0.0000155600000000,  0.0012719700000000 ]  - [  -0.0010288800000000, -0.0000155600000000,  0.0012719700000000 ]  - [  -0.0010707900000000,  0.0000000000000000,  0.0014618200000000 ]  - [  -0.0010624100000000, -0.0000137900000000,  0.0014766000000000 ]  - [  -0.0010624100000000,  0.0000137900000000,  0.0014766000000000 ]  - [   0.0010162200000000,  0.0000000000000000,  0.0065231700000000 ]  - [   0.0010312800000000, -0.0000942100000000, -0.0015047200000000 ]  - [   0.0010312800000000,  0.0000942100000000, -0.0015047200000000 ]  - [   0.0010315300000000,  0.0000000000000000, -0.0012396300000000 ]  - [   0.0010112800000000,  0.0000324900000000, -0.0012581500000000 ]  - [   0.0010112800000000, -0.0000324900000000, -0.0012581500000000 ]  - [   0.0001299400000000,  0.0000000000000000, -0.0004262500000000 ]  - [   0.0001522400000000, -0.0000234700000000, -0.0004518800000000 ]  - [   0.0001522400000000,  0.0000234700000000, -0.0004518800000000 ]  - [   0.0025760500000000,  0.0000000000000000,  0.0030175300000000 ]  - [   0.0005396400000000,  0.0001779900000000, -0.0004963500000000 ]  - [   0.0005396400000000, -0.0001779900000000, -0.0004963500000000 ]  - [  -0.0023374700000000,  0.0000000000000000, -0.0011269600000000 ]  - [  -0.0003246900000000, -0.0002732500000000,  0.0003862200000000 ]  - [  -0.0003246900000000,  0.0002732500000000,  0.0003862200000000 ]  - [  -0.0001765300000000,  0.0000000000000000,  0.0005221600000000 ]  - [  -0.0001655700000000, -0.0000110700000000,  0.0004928900000000 ]  - [  -0.0001655700000000,  0.0000110700000000,  0.0004928900000000 ]  - [   0.0003728600000000, -0.0000459800000000,  0.0022055600000000 ]  - [   0.0003728600000000,  0.0000459800000000,  0.0022055600000000 ]  - [   0.0005424000000000,  0.0000000000000000,  0.0022183400000000 ]  - [   0.0008734500000000, -0.0000216400000000,  0.0021947800000000 ]  - [   0.0008734500000000,  0.0000216400000000,  0.0021947800000000 ]  - [   0.0008664500000000,  0.0000000000000000,  0.0021979600000000 ]  - [  -0.0008751800000000,  0.0000145800000000, -0.0021269000000000 ]  - [  -0.0008751800000000, -0.0000145800000000, -0.0021269000000000 ]  - [  -0.0008434200000000,  0.0000000000000000, -0.0022061100000000 ]  - [  -0.0052119300000000, -0.0042724900000000,  0.0018257500000000 ]  - [  -0.0052119300000000,  0.0042724900000000,  0.0018257500000000 ]  - [  -0.0006399700000000,  0.0000000000000000, -0.0021800300000000 ]  - [  -0.0009094300000000,  0.0007754100000000,  0.0019826600000000 ]  - [  -0.0009094300000000, -0.0007754100000000,  0.0019826600000000 ]  - [  -0.0011387000000000,  0.0000000000000000,  0.0014901600000000 ]  - [  -0.0009485700000000, -0.0000147400000000,  0.0018019700000000 ]  - [  -0.0009485700000000,  0.0000147400000000,  0.0018019700000000 ]  - [  -0.0009195100000000,  0.0000000000000000,  0.0015809300000000 ]  - [   0.0008523100000000, -0.0000061200000000, -0.0015865000000000 ]  - [   0.0008523100000000,  0.0000061200000000, -0.0015865000000000 ]  - [   0.0008965600000000,  0.0000000000000000, -0.0015770600000000 ]  - [   0.0011247700000000, -0.0000756200000000, -0.0015511300000000 ]  - [   0.0011247700000000,  0.0000756200000000, -0.0015511300000000 ]  - [   0.0010168400000000,  0.0000000000000000, -0.0015150800000000 ]  - [  -0.0008872200000000, -0.0007198300000000,  0.0015147300000000 ]  - [  -0.0008872200000000,  0.0007198300000000,  0.0015147300000000 ]  - [  -0.0008673300000000,  0.0000000000000000,  0.0021279900000000 ]  - [  -0.0001537800000000, -0.0001733000000000,  0.0013997700000000 ]  - [  -0.0001537800000000,  0.0001733000000000,  0.0013997700000000 ]  - [  -0.0010306500000000,  0.0000000000000000,  0.0019021500000000 ]  - [   0.0011020600000000, -0.0000192600000000, -0.0019095600000000 ]  - [   0.0011020600000000,  0.0000192600000000, -0.0019095600000000 ]  - [   0.0009249900000000,  0.0000000000000000, -0.0019349000000000 ]  - [   0.0008498400000000, -0.0000170200000000, -0.0021235000000000 ]  - [   0.0008498400000000,  0.0000170200000000, -0.0021235000000000 ]  - [   0.0008794500000000,  0.0000000000000000, -0.0020805900000000 ]  - [  -0.0023039500000000,  0.0000000000000000, -0.0024978800000000 ]  - [  -0.0022755500000000,  0.0000332100000000, -0.0025457900000000 ]  - [  -0.0022755500000000, -0.0000332100000000, -0.0025457900000000 ]  - [  -0.0018838100000000,  0.0000000000000000, -0.0025868200000000 ]  - [  -0.0018903500000000, -0.0000641200000000, -0.0026121300000000 ]  - [  -0.0018903500000000,  0.0000641200000000, -0.0026121300000000 ]  - [   0.0024650000000000,  0.0000000000000000,  0.0040343200000000 ]  - [   0.0021499800000000, -0.0006210300000000,  0.0029995800000000 ]  - [   0.0021499800000000,  0.0006210300000000,  0.0029995800000000 ]  - [   0.0023201500000000,  0.0000000000000000,  0.0025233100000000 ]  - [   0.0022808100000000,  0.0000171600000000,  0.0025613500000000 ]  - [   0.0022808100000000, -0.0000171600000000,  0.0025613500000000 ]  - [  -0.0007027800000000,  0.0000000000000000,  0.0022551200000000 ]  - [  -0.0007486100000000,  0.0000166600000000,  0.0022587400000000 ]  - [  -0.0007486100000000, -0.0000166600000000,  0.0022587400000000 ]  - [  -0.0016532200000000,  0.0000000000000000,  0.0029603700000000 ]  - [  -0.0004751200000000,  0.0000990800000000,  0.0022084400000000 ]  - [  -0.0004751200000000, -0.0000990800000000,  0.0022084400000000 ]  - [  -0.0198828300000000,  0.0000000000000000,  0.0115569900000000 ]  - [   0.0004950900000000,  0.0001546700000000, -0.0020247800000000 ]  - [   0.0004950900000000, -0.0001546700000000, -0.0020247800000000 ]  - [   0.0008328200000000,  0.0000000000000000, -0.0024123000000000 ]  - [   0.0007887000000000, -0.0000706400000000, -0.0023342300000000 ]  - [   0.0007887000000000,  0.0000706400000000, -0.0023342300000000 ]  - [  -0.0020481900000000, -0.0000138000000000, -0.0026298000000000 ]  - [  -0.0020481900000000,  0.0000138000000000, -0.0026298000000000 ]  - [  -0.0020697300000000,  0.0000000000000000, -0.0026119000000000 ]  - [  -0.0018605700000000, -0.0043685800000000,  0.0026028900000000 ]  - [  -0.0018605700000000,  0.0043685800000000,  0.0026028900000000 ]  - [  -0.0026270200000000,  0.0000000000000000, -0.0026430100000000 ]  - [   0.0025664500000000, -0.0000147000000000,  0.0027945300000000 ]  - [   0.0025664500000000,  0.0000147000000000,  0.0027945300000000 ]  - [   0.0021129800000000,  0.0000000000000000,  0.0025931700000000 ]  - [   0.0020657400000000,  0.0000169400000000,  0.0025735200000000 ]  - [   0.0020657400000000, -0.0000169400000000,  0.0025735200000000 ]  - [   0.0020726700000000,  0.0000000000000000,  0.0025863700000000 ]- atom:   13  displacement:    [   0.0048210325901584,  0.0000000000000000, -0.0087611440328664 ]  forces:  - [   0.0001132400000000, -0.0000643300000000, -0.0005517100000000 ]  - [   0.0001132400000000,  0.0000643300000000, -0.0005517100000000 ]  - [   0.0001713600000000,  0.0000000000000000, -0.0004453800000000 ]  - [   0.0004086000000000,  0.0000585800000000, -0.0004976300000000 ]  - [   0.0004086000000000, -0.0000585800000000, -0.0004976300000000 ]  - [   0.0002877000000000,  0.0000000000000000, -0.0005266100000000 ]  - [  -0.0001828400000000,  0.0002483900000000,  0.0008447000000000 ]  - [  -0.0001828400000000, -0.0002483900000000,  0.0008447000000000 ]  - [  -0.0003046300000000,  0.0000000000000000,  0.0005484200000000 ]  - [  -0.0001682300000000, -0.0000368100000000,  0.0004290500000000 ]  - [  -0.0001682300000000,  0.0000368100000000,  0.0004290500000000 ]  - [  -0.0001701100000000,  0.0000000000000000,  0.0004274200000000 ]  - [  -0.0277447900000000,  0.0000000000000000,  0.0465453800000000 ]  - [   0.0006608000000000, -0.0002013000000000,  0.0023449100000000 ]  - [   0.0006608000000000,  0.0002013000000000,  0.0023449100000000 ]  - [   0.0008666800000000,  0.0000000000000000,  0.0021559900000000 ]  - [   0.0008529700000000, -0.0000229500000000,  0.0021642100000000 ]  - [   0.0008529700000000,  0.0000229500000000,  0.0021642100000000 ]  - [  -0.0008602800000000,  0.0000000000000000, -0.0021800800000000 ]  - [  -0.0008543000000000, -0.0000231700000000, -0.0021814900000000 ]  - [  -0.0008543000000000,  0.0000231700000000, -0.0021814900000000 ]  - [  -0.0002805800000000,  0.0000000000000000, -0.0019951600000000 ]  - [  -0.0006513600000000,  0.0000819200000000, -0.0022536400000000 ]  - [  -0.0006513600000000, -0.0000819200000000, -0.0022536400000000 ]  - [  -0.0009200200000000,  0.0000000000000000,  0.0017202900000000 ]  - [  -0.0009575700000000, -0.0000600000000000,  0.0016717000000000 ]  - [  -0.0009575700000000,  0.0000600000000000,  0.0016717000000000 ]  - [  -0.0009136500000000,  0.0000000000000000,  0.0014726000000000 ]  - [  -0.0009253200000000, -0.0000300600000000,  0.0014634500000000 ]  - [  -0.0009253200000000,  0.0000300600000000,  0.0014634500000000 ]  - [   0.0009642100000000,  0.0000000000000000, -0.0096570100000000 ]  - [   0.0009560100000000,  0.0000507700000000, -0.0014361400000000 ]  - [   0.0009560100000000, -0.0000507700000000, -0.0014361400000000 ]  - [   0.0009527600000000,  0.0000000000000000, -0.0016967900000000 ]  - [   0.0009761500000000, -0.0000761100000000, -0.0016846800000000 ]  - [   0.0009761500000000,  0.0000761100000000, -0.0016846800000000 ]  - [   0.0003071100000000,  0.0000000000000000, -0.0005090800000000 ]  - [   0.0002857700000000, -0.0000131100000000, -0.0004930200000000 ]  - [   0.0002857700000000,  0.0000131100000000, -0.0004930200000000 ]  - [  -0.0020998000000000,  0.0000000000000000, -0.0038876600000000 ]  - [  -0.0001006000000000, -0.0002163800000000, -0.0004498500000000 ]  - [  -0.0001006000000000,  0.0002163800000000, -0.0004498500000000 ]  - [   0.0019392300000000,  0.0000000000000000,  0.0020969500000000 ]  - [  -0.0001142300000000,  0.0002359600000000,  0.0005611200000000 ]  - [  -0.0001142300000000, -0.0002359600000000,  0.0005611200000000 ]  - [  -0.0002604400000000,  0.0000000000000000,  0.0004127100000000 ]  - [  -0.0002719400000000, -0.0000256900000000,  0.0004515100000000 ]  - [  -0.0002719400000000,  0.0000256900000000,  0.0004515100000000 ]  - [   0.0011821500000000, -0.0000055300000000,  0.0022227300000000 ]  - [   0.0011821500000000,  0.0000055300000000,  0.0022227300000000 ]  - [   0.0010098900000000,  0.0000000000000000,  0.0022090900000000 ]  - [   0.0006806700000000, -0.0000290900000000,  0.0022327400000000 ]  - [   0.0006806700000000,  0.0000290900000000,  0.0022327400000000 ]  - [   0.0006860600000000,  0.0000000000000000,  0.0022285700000000 ]  - [  -0.0006790900000000, -0.0000651000000000, -0.0023019600000000 ]  - [  -0.0006790900000000,  0.0000651000000000, -0.0023019600000000 ]  - [  -0.0007093900000000,  0.0000000000000000, -0.0022205300000000 ]  - [   0.0035717700000000,  0.0041245900000000, -0.0061793000000000 ]  - [   0.0035717700000000, -0.0041245900000000, -0.0061793000000000 ]  - [  -0.0009130300000000,  0.0000000000000000, -0.0022472700000000 ]  - [  -0.0010806000000000, -0.0008354300000000,  0.0009450500000000 ]  - [  -0.0010806000000000,  0.0008354300000000,  0.0009450500000000 ]  - [  -0.0008436500000000,  0.0000000000000000,  0.0014510300000000 ]  - [  -0.0010392700000000, -0.0000290900000000,  0.0011398700000000 ]  - [  -0.0010392700000000,  0.0000290900000000,  0.0011398700000000 ]  - [  -0.0010649000000000,  0.0000000000000000,  0.0013546100000000 ]  - [   0.0011356300000000, -0.0000380300000000, -0.0013544400000000 ]  - [   0.0011356300000000,  0.0000380300000000, -0.0013544400000000 ]  - [   0.0010876500000000,  0.0000000000000000, -0.0013587200000000 ]  - [   0.0008632300000000,  0.0000309200000000, -0.0013919000000000 ]  - [   0.0008632300000000, -0.0000309200000000, -0.0013919000000000 ]  - [   0.0009668600000000,  0.0000000000000000, -0.0014252500000000 ]  - [  -0.0008174100000000,  0.0007316600000000,  0.0026824900000000 ]  - [  -0.0008174100000000, -0.0007316600000000,  0.0026824900000000 ]  - [  -0.0008403300000000,  0.0000000000000000,  0.0020606200000000 ]  - [  -0.0015460100000000,  0.0001733800000000,  0.0027897500000000 ]  - [  -0.0015460100000000, -0.0001733800000000,  0.0027897500000000 ]  - [  -0.0006764700000000,  0.0000000000000000,  0.0022879700000000 ]  - [   0.0005973000000000,  0.0000221200000000, -0.0022846400000000 ]  - [   0.0005973000000000, -0.0000221200000000, -0.0022846400000000 ]  - [   0.0007820900000000,  0.0000000000000000, -0.0022556700000000 ]  - [   0.0008557900000000,  0.0000207200000000, -0.0020644300000000 ]  - [   0.0008557900000000, -0.0000207200000000, -0.0020644300000000 ]  - [   0.0008286500000000,  0.0000000000000000, -0.0021065500000000 ]  - [  -0.0020176100000000,  0.0000000000000000, -0.0026560700000000 ]  - [  -0.0020499500000000, -0.0000314000000000, -0.0026087000000000 ]  - [  -0.0020499500000000,  0.0000314000000000, -0.0026087000000000 ]  - [  -0.0024385500000000,  0.0000000000000000, -0.0025674700000000 ]  - [  -0.0024355600000000,  0.0000671700000000, -0.0025417000000000 ]  - [  -0.0024355600000000, -0.0000671700000000, -0.0025417000000000 ]  - [   0.0017336300000000,  0.0000000000000000,  0.0011682800000000 ]  - [   0.0021752800000000,  0.0006245700000000,  0.0021621600000000 ]  - [   0.0021752800000000, -0.0006245700000000,  0.0021621600000000 ]  - [   0.0020019700000000,  0.0000000000000000,  0.0026301100000000 ]  - [   0.0020445800000000, -0.0000149700000000,  0.0025922000000000 ]  - [   0.0020445800000000,  0.0000149700000000,  0.0025922000000000 ]  - [  -0.0010049500000000,  0.0000000000000000,  0.0019336300000000 ]  - [  -0.0009572000000000, -0.0000132700000000,  0.0019306100000000 ]  - [  -0.0009572000000000,  0.0000132700000000,  0.0019306100000000 ]  - [  -0.0000637700000000,  0.0000000000000000,  0.0012329600000000 ]  - [  -0.0012328900000000, -0.0000968000000000,  0.0019862400000000 ]  - [  -0.0012328900000000,  0.0000968000000000,  0.0019862400000000 ]  - [   0.0226702500000000,  0.0000000000000000, -0.0163934600000000 ]  - [   0.0012070400000000, -0.0001622900000000, -0.0021708100000000 ]  - [   0.0012070400000000,  0.0001622900000000, -0.0021708100000000 ]  - [   0.0008744300000000,  0.0000000000000000, -0.0017773700000000 ]  - [   0.0009160500000000,  0.0000736700000000, -0.0018557900000000 ]  - [   0.0009160500000000, -0.0000736700000000, -0.0018557900000000 ]  - [  -0.0022785000000000,  0.0000167700000000, -0.0025236900000000 ]  - [  -0.0022785000000000, -0.0000167700000000, -0.0025236900000000 ]  - [  -0.0022529300000000,  0.0000000000000000, -0.0025420000000000 ]  - [  -0.0024255300000000,  0.0043510800000000, -0.0077686900000000 ]  - [  -0.0024255300000000, -0.0043510800000000, -0.0077686900000000 ]  - [  -0.0016977600000000,  0.0000000000000000, -0.0025111700000000 ]  - [   0.0017668000000000,  0.0000217500000000,  0.0023467500000000 ]  - [   0.0017668000000000, -0.0000217500000000,  0.0023467500000000 ]  - [   0.0022127600000000,  0.0000000000000000,  0.0025604000000000 ]  - [   0.0022606500000000, -0.0000141200000000,  0.0025803200000000 ]  - [   0.0022606500000000,  0.0000141200000000,  0.0025803200000000 ]  - [   0.0022502100000000,  0.0000000000000000,  0.0025675400000000 ]- atom:   25  displacement:    [   0.0099998577487433,  0.0000000000000000,  0.0000533385873285 ]  forces:  - [   0.0006811700000000, -0.0002704300000000, -0.0009395500000000 ]  - [   0.0006811700000000,  0.0002704300000000, -0.0009395500000000 ]  - [   0.0002134400000000,  0.0000000000000000, -0.0005032200000000 ]  - [   0.0002152400000000, -0.0001917100000000, -0.0003507600000000 ]  - [   0.0002152400000000,  0.0001917100000000, -0.0003507600000000 ]  - [   0.0002511000000000,  0.0000000000000000, -0.0004619400000000 ]  - [   0.0007378000000000, -0.0020416500000000,  0.0037332400000000 ]  - [   0.0007378000000000,  0.0020416500000000,  0.0037332400000000 ]  - [  -0.0003325200000000,  0.0000000000000000,  0.0004335600000000 ]  - [  -0.0001735500000000, -0.0000157900000000,  0.0004716900000000 ]  - [  -0.0001735500000000,  0.0000157900000000,  0.0004716900000000 ]  - [  -0.0001873300000000,  0.0000000000000000,  0.0004662000000000 ]  - [   0.0009648100000000,  0.0000000000000000,  0.0022373300000000 ]  - [   0.0008933600000000,  0.0000261100000000,  0.0022389100000000 ]  - [   0.0008933600000000, -0.0000261100000000,  0.0022389100000000 ]  - [   0.0010634700000000,  0.0000000000000000,  0.0022839200000000 ]  - [   0.0009248700000000, -0.0000432700000000,  0.0022190800000000 ]  - [   0.0009248700000000,  0.0000432700000000,  0.0022190800000000 ]  - [  -0.0021628300000000,  0.0000000000000000, -0.0028892300000000 ]  - [  -0.0009939600000000, -0.0000585600000000, -0.0022921100000000 ]  - [  -0.0009939600000000,  0.0000585600000000, -0.0022921100000000 ]  - [  -0.0008462100000000,  0.0000000000000000, -0.0022085900000000 ]  - [  -0.0007980600000000, -0.0000039900000000, -0.0022072600000000 ]  - [  -0.0007980600000000,  0.0000039900000000, -0.0022072600000000 ]  - [  -0.0426874100000000,  0.0000000000000000, -0.0028536500000000 ]  - [  -0.0015238700000000,  0.0005354300000000,  0.0013316000000000 ]  - [  -0.0015238700000000, -0.0005354300000000,  0.0013316000000000 ]  - [  -0.0009933600000000,  0.0000000000000000,  0.0015095500000000 ]  - [  -0.0009894300000000, -0.0000210300000000,  0.0015042000000000 ]  - [  -0.0009894300000000,  0.0000210300000000,  0.0015042000000000 ]  - [   0.0011850200000000,  0.0000000000000000, -0.0015593300000000 ]  - [   0.0010533400000000,  0.0000121400000000, -0.0015156800000000 ]  - [   0.0010533400000000, -0.0000121400000000, -0.0015156800000000 ]  - [   0.0011627000000000,  0.0000000000000000, -0.0011796400000000 ]  - [   0.0010855000000000,  0.0000157400000000, -0.0012207700000000 ]  - [   0.0010855000000000, -0.0000157400000000, -0.0012207700000000 ]  - [   0.0011426800000000,  0.0000000000000000, -0.0000416800000000 ]  - [   0.0002924100000000, -0.0001818800000000, -0.0003358300000000 ]  - [   0.0002924100000000,  0.0001818800000000, -0.0003358300000000 ]  - [   0.0002345900000000,  0.0000000000000000, -0.0004350900000000 ]  - [   0.0002197500000000, -0.0000054500000000, -0.0004459700000000 ]  - [   0.0002197500000000,  0.0000054500000000, -0.0004459700000000 ]  - [  -0.0001549600000000,  0.0000000000000000,  0.0003957200000000 ]  - [  -0.0001582500000000, -0.0000107900000000,  0.0004007700000000 ]  - [  -0.0001582500000000,  0.0000107900000000,  0.0004007700000000 ]  - [  -0.0003653100000000,  0.0000000000000000,  0.0005802700000000 ]  - [  -0.0002458700000000, -0.0000687500000000,  0.0005616300000000 ]  - [  -0.0002458700000000,  0.0000687500000000,  0.0005616300000000 ]  - [   0.0005893500000000, -0.0002839600000000,  0.0022129100000000 ]  - [   0.0005893500000000,  0.0002839600000000,  0.0022129100000000 ]  - [   0.0007748300000000,  0.0000000000000000,  0.0020460200000000 ]  - [   0.0006540000000000, -0.0000284000000000,  0.0022020500000000 ]  - [   0.0006540000000000,  0.0000284000000000,  0.0022020500000000 ]  - [   0.0006443300000000,  0.0000000000000000,  0.0022269400000000 ]  - [  -0.0005548100000000, -0.0000097500000000, -0.0022560900000000 ]  - [  -0.0005548100000000,  0.0000097500000000, -0.0022560900000000 ]  - [  -0.0006237100000000,  0.0000000000000000, -0.0022411800000000 ]  - [  -0.0006689900000000, -0.0001142600000000, -0.0020065700000000 ]  - [  -0.0006689900000000,  0.0001142600000000, -0.0020065700000000 ]  - [  -0.0007708100000000,  0.0000000000000000, -0.0021842100000000 ]  - [  -0.0009054700000000, -0.0000476600000000,  0.0014294600000000 ]  - [  -0.0009054700000000,  0.0000476600000000,  0.0014294600000000 ]  - [  -0.0009377400000000,  0.0000000000000000,  0.0014182000000000 ]  - [  -0.0008758200000000,  0.0000043500000000,  0.0017623600000000 ]  - [  -0.0008758200000000, -0.0000043500000000,  0.0017623600000000 ]  - [  -0.0009456100000000,  0.0000000000000000,  0.0017009100000000 ]  - [   0.0054324100000000,  0.0042549300000000, -0.0015834200000000 ]  - [   0.0054324100000000, -0.0042549300000000, -0.0015834200000000 ]  - [   0.0009002500000000,  0.0000000000000000, -0.0016291800000000 ]  - [   0.0009787400000000, -0.0000234600000000, -0.0014176700000000 ]  - [   0.0009787400000000,  0.0000234600000000, -0.0014176700000000 ]  - [   0.0009750500000000,  0.0000000000000000, -0.0014124300000000 ]  - [  -0.0012797400000000,  0.0000528400000000,  0.0022281900000000 ]  - [  -0.0012797400000000, -0.0000528400000000,  0.0022281900000000 ]  - [  -0.0009082900000000,  0.0000000000000000,  0.0022069600000000 ]  - [  -0.0010688600000000, -0.0000084000000000,  0.0016294900000000 ]  - [  -0.0010688600000000,  0.0000084000000000,  0.0016294900000000 ]  - [  -0.0009708200000000,  0.0000000000000000,  0.0019708800000000 ]  - [   0.0064052500000000,  0.0070676900000000, -0.0079193200000000 ]  - [   0.0064052500000000, -0.0070676900000000, -0.0079193200000000 ]  - [   0.0011807300000000,  0.0000000000000000, -0.0022452400000000 ]  - [   0.0008953700000000,  0.0000025500000000, -0.0021691800000000 ]  - [   0.0008953700000000, -0.0000025500000000, -0.0021691800000000 ]  - [   0.0008959700000000,  0.0000000000000000, -0.0021791800000000 ]  - [  -0.0021637400000000,  0.0000000000000000, -0.0020916700000000 ]  - [  -0.0020150700000000, -0.0001944000000000, -0.0023530100000000 ]  - [  -0.0020150700000000,  0.0001944000000000, -0.0023530100000000 ]  - [  -0.0020315500000000,  0.0000000000000000, -0.0031372600000000 ]  - [  -0.0022357100000000, -0.0002599700000000, -0.0024138700000000 ]  - [  -0.0022357100000000,  0.0002599700000000, -0.0024138700000000 ]  - [   0.0022501600000000,  0.0000000000000000,  0.0021208200000000 ]  - [   0.0024298000000000, -0.0007109700000000,  0.0020880900000000 ]  - [   0.0024298000000000,  0.0007109700000000,  0.0020880900000000 ]  - [   0.0019663800000000,  0.0000000000000000,  0.0025494400000000 ]  - [   0.0020272800000000,  0.0000192800000000,  0.0025452800000000 ]  - [   0.0020272800000000, -0.0000192800000000,  0.0025452800000000 ]  - [   0.0177554200000000,  0.0000000000000000,  0.0135896200000000 ]  - [  -0.0002561200000000,  0.0004241600000000,  0.0019652000000000 ]  - [  -0.0002561200000000, -0.0004241600000000,  0.0019652000000000 ]  - [  -0.0008189900000000,  0.0000000000000000,  0.0019887800000000 ]  - [  -0.0008247900000000,  0.0000041200000000,  0.0020178900000000 ]  - [  -0.0008247900000000, -0.0000041200000000,  0.0020178900000000 ]  - [   0.0005905200000000,  0.0000000000000000, -0.0020758200000000 ]  - [   0.0007086600000000, -0.0000030400000000, -0.0020361500000000 ]  - [   0.0007086600000000,  0.0000030400000000, -0.0020361500000000 ]  - [   0.0005438700000000,  0.0000000000000000, -0.0028092900000000 ]  - [   0.0007027700000000, -0.0000165300000000, -0.0023696000000000 ]  - [   0.0007027700000000,  0.0000165300000000, -0.0023696000000000 ]  - [  -0.0022596400000000, -0.0000419300000000, -0.0023875100000000 ]  - [  -0.0022596400000000,  0.0000419300000000, -0.0023875100000000 ]  - [  -0.0022775300000000,  0.0000000000000000, -0.0026114500000000 ]  - [  -0.0022707700000000,  0.0000548600000000, -0.0026503900000000 ]  - [  -0.0022707700000000, -0.0000548600000000, -0.0026503900000000 ]  - [  -0.0021697800000000,  0.0000000000000000, -0.0026464800000000 ]  - [   0.0022263000000000,  0.0000204700000000,  0.0026975200000000 ]  - [   0.0022263000000000, -0.0000204700000000,  0.0026975200000000 ]  - [   0.0021423500000000,  0.0000000000000000,  0.0026811600000000 ]  - [   0.0025370900000000,  0.0000989900000000,  0.0028112700000000 ]  - [   0.0025370900000000, -0.0000989900000000,  0.0028112700000000 ]  - [   0.0023274600000000,  0.0000000000000000,  0.0026292200000000 ]- atom:   25  displacement:    [  -0.0099998577487433,  0.0000000000000000, -0.0000533385873285 ]  forces:  - [  -0.0002336600000000,  0.0002270600000000, -0.0000114400000000 ]  - [  -0.0002336600000000, -0.0002270600000000, -0.0000114400000000 ]  - [   0.0002234100000000,  0.0000000000000000, -0.0004286500000000 ]  - [   0.0002235800000000,  0.0001551000000000, -0.0005925200000000 ]  - [   0.0002235800000000, -0.0001551000000000, -0.0005925200000000 ]  - [   0.0001868000000000,  0.0000000000000000, -0.0004717100000000 ]  - [  -0.0011608400000000,  0.0019616200000000, -0.0027428200000000 ]  - [  -0.0011608400000000, -0.0019616200000000, -0.0027428200000000 ]  - [  -0.0001063900000000,  0.0000000000000000,  0.0004998900000000 ]  - [  -0.0002641300000000, -0.0000210500000000,  0.0004698400000000 ]  - [  -0.0002641300000000,  0.0000210500000000,  0.0004698400000000 ]  - [  -0.0002494800000000,  0.0000000000000000,  0.0004657500000000 ]  - [   0.0005889600000000,  0.0000000000000000,  0.0021907400000000 ]  - [   0.0006624000000000, -0.0000762700000000,  0.0021899100000000 ]  - [   0.0006624000000000,  0.0000762700000000,  0.0021899100000000 ]  - [   0.0004896700000000,  0.0000000000000000,  0.0021418600000000 ]  - [   0.0006313700000000, -0.0000074000000000,  0.0022082900000000 ]  - [   0.0006313700000000,  0.0000074000000000,  0.0022082900000000 ]  - [   0.0006088900000000,  0.0000000000000000, -0.0015151300000000 ]  - [  -0.0005622100000000,  0.0000079300000000, -0.0021338500000000 ]  - [  -0.0005622100000000, -0.0000079300000000, -0.0021338500000000 ]  - [  -0.0007068800000000,  0.0000000000000000, -0.0022180600000000 ]  - [  -0.0007561700000000, -0.0000467700000000, -0.0022206000000000 ]  - [  -0.0007561700000000,  0.0000467700000000, -0.0022206000000000 ]  - [   0.0412251100000000,  0.0000000000000000,  0.0062602000000000 ]  - [  -0.0004598600000000, -0.0005821900000000,  0.0016203600000000 ]  - [  -0.0004598600000000,  0.0005821900000000,  0.0016203600000000 ]  - [  -0.0009887500000000,  0.0000000000000000,  0.0014257100000000 ]  - [  -0.0009957000000000, -0.0000228900000000,  0.0014367400000000 ]  - [  -0.0009957000000000,  0.0000228900000000,  0.0014367400000000 ]  - [   0.0007991100000000,  0.0000000000000000, -0.0013763200000000 ]  - [   0.0009323100000000, -0.0000556400000000, -0.0014249400000000 ]  - [   0.0009323100000000,  0.0000556400000000, -0.0014249400000000 ]  - [   0.0008176600000000,  0.0000000000000000, -0.0017612700000000 ]  - [   0.0008989600000000, -0.0000596300000000, -0.0017257300000000 ]  - [   0.0008989600000000,  0.0000596300000000, -0.0017257300000000 ]  - [  -0.0007121900000000,  0.0000000000000000, -0.0008937500000000 ]  - [   0.0001445000000000,  0.0001482200000000, -0.0006083900000000 ]  - [   0.0001445000000000, -0.0001482200000000, -0.0006083900000000 ]  - [   0.0002018000000000,  0.0000000000000000, -0.0004977000000000 ]  - [   0.0002171700000000, -0.0000312800000000, -0.0004964500000000 ]  - [   0.0002171700000000,  0.0000312800000000, -0.0004964500000000 ]  - [  -0.0002814000000000,  0.0000000000000000,  0.0005370700000000 ]  - [  -0.0002792100000000, -0.0000257700000000,  0.0005420800000000 ]  - [  -0.0002792100000000,  0.0000257700000000,  0.0005420800000000 ]  - [  -0.0000712400000000,  0.0000000000000000,  0.0003515400000000 ]  - [  -0.0001919800000000,  0.0000321300000000,  0.0003800400000000 ]  - [  -0.0001919800000000, -0.0000321300000000,  0.0003800400000000 ]  - [   0.0009681200000000,  0.0002341300000000,  0.0022135700000000 ]  - [   0.0009681200000000, -0.0002341300000000,  0.0022135700000000 ]  - [   0.0007825000000000,  0.0000000000000000,  0.0023807900000000 ]  - [   0.0009028000000000, -0.0000224500000000,  0.0022250500000000 ]  - [   0.0009028000000000,  0.0000224500000000,  0.0022250500000000 ]  - [   0.0009101200000000,  0.0000000000000000,  0.0021994800000000 ]  - [  -0.0010019500000000, -0.0000412100000000, -0.0021714600000000 ]  - [  -0.0010019500000000,  0.0000412100000000, -0.0021714600000000 ]  - [  -0.0009310400000000,  0.0000000000000000, -0.0021851800000000 ]  - [  -0.0008905900000000,  0.0000635300000000, -0.0024201300000000 ]  - [  -0.0008905900000000, -0.0000635300000000, -0.0024201300000000 ]  - [  -0.0007866600000000,  0.0000000000000000, -0.0022434100000000 ]  - [  -0.0010795000000000,  0.0000032900000000,  0.0015152900000000 ]  - [  -0.0010795000000000, -0.0000032900000000,  0.0015152900000000 ]  - [  -0.0010436600000000,  0.0000000000000000,  0.0015205300000000 ]  - [  -0.0011110800000000, -0.0000486400000000,  0.0011768400000000 ]  - [  -0.0011110800000000,  0.0000486400000000,  0.0011768400000000 ]  - [  -0.0010378900000000,  0.0000000000000000,  0.0012322500000000 ]  - [  -0.0035361000000000, -0.0043872900000000, -0.0013628100000000 ]  - [  -0.0035361000000000,  0.0043872900000000, -0.0013628100000000 ]  - [   0.0010832400000000,  0.0000000000000000, -0.0013032700000000 ]  - [   0.0010061100000000, -0.0000204800000000, -0.0015261900000000 ]  - [   0.0010061100000000,  0.0000204800000000, -0.0015261900000000 ]  - [   0.0010062200000000,  0.0000000000000000, -0.0015257200000000 ]  - [  -0.0004302200000000, -0.0000486100000000,  0.0019602500000000 ]  - [  -0.0004302200000000,  0.0000486100000000,  0.0019602500000000 ]  - [  -0.0007983500000000,  0.0000000000000000,  0.0019812700000000 ]  - [  -0.0006331600000000,  0.0000116300000000,  0.0025672100000000 ]  - [  -0.0006331600000000, -0.0000116300000000,  0.0025672100000000 ]  - [  -0.0007349200000000,  0.0000000000000000,  0.0022246800000000 ]  - [  -0.0046175000000000, -0.0071096200000000,  0.0037394900000000 ]  - [  -0.0046175000000000,  0.0071096200000000,  0.0037394900000000 ]  - [   0.0005209200000000,  0.0000000000000000, -0.0019558200000000 ]  - [   0.0008102700000000,  0.0000009000000000, -0.0020178300000000 ]  - [   0.0008102700000000, -0.0000009000000000, -0.0020178300000000 ]  - [   0.0008116300000000,  0.0000000000000000, -0.0020076700000000 ]  - [  -0.0021597600000000,  0.0000000000000000, -0.0030571000000000 ]  - [  -0.0023086500000000,  0.0001940400000000, -0.0027996100000000 ]  - [  -0.0023086500000000, -0.0001940400000000, -0.0027996100000000 ]  - [  -0.0022953600000000,  0.0000000000000000, -0.0020155400000000 ]  - [  -0.0020956100000000,  0.0002599500000000, -0.0027418100000000 ]  - [  -0.0020956100000000, -0.0002599500000000, -0.0027418100000000 ]  - [   0.0020737000000000,  0.0000000000000000,  0.0030108500000000 ]  - [   0.0019018200000000,  0.0007070500000000,  0.0030616800000000 ]  - [   0.0019018200000000, -0.0007070500000000,  0.0030616800000000 ]  - [   0.0023554300000000,  0.0000000000000000,  0.0026056400000000 ]  - [   0.0022974400000000, -0.0000166800000000,  0.0026104200000000 ]  - [   0.0022974400000000,  0.0000166800000000,  0.0026104200000000 ]  - [  -0.0199903700000000,  0.0000000000000000, -0.0099805700000000 ]  - [  -0.0014548600000000, -0.0004227200000000,  0.0022239800000000 ]  - [  -0.0014548600000000,  0.0004227200000000,  0.0022239800000000 ]  - [  -0.0008880900000000,  0.0000000000000000,  0.0022030300000000 ]  - [  -0.0008806400000000, -0.0000005200000000,  0.0021751600000000 ]  - [  -0.0008806400000000,  0.0000005200000000,  0.0021751600000000 ]  - [   0.0011148900000000,  0.0000000000000000, -0.0021178600000000 ]  - [   0.0009959200000000,  0.0000064100000000, -0.0021571300000000 ]  - [   0.0009959200000000, -0.0000064100000000, -0.0021571300000000 ]  - [   0.0011657800000000,  0.0000000000000000, -0.0013729900000000 ]  - [   0.0010039100000000,  0.0000197900000000, -0.0018156000000000 ]  - [   0.0010039100000000, -0.0000197900000000, -0.0018156000000000 ]  - [  -0.0020648700000000,  0.0000466700000000, -0.0027657300000000 ]  - [  -0.0020648700000000, -0.0000466700000000, -0.0027657300000000 ]  - [  -0.0020440200000000,  0.0000000000000000, -0.0025419500000000 ]  - [  -0.0020529300000000, -0.0000520400000000, -0.0025040500000000 ]  - [  -0.0020529300000000,  0.0000520400000000, -0.0025040500000000 ]  - [  -0.0021489400000000,  0.0000000000000000, -0.0025084100000000 ]  - [   0.0020967400000000, -0.0000178500000000,  0.0024564400000000 ]  - [   0.0020967400000000,  0.0000178500000000,  0.0024564400000000 ]  - [   0.0021765900000000,  0.0000000000000000,  0.0024730300000000 ]  - [   0.0017875300000000, -0.0000964000000000,  0.0023405300000000 ]  - [   0.0017875300000000,  0.0000964000000000,  0.0023405300000000 ]  - [   0.0019938100000000,  0.0000000000000000,  0.0025256200000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000810600000000,  0.0001071700000000, -0.0002330400000000 ]  - [   0.0005213600000000,  0.0001446900000000, -0.0007089700000000 ]  - [   0.0002184900000000,  0.0000041100000000, -0.0004651200000000 ]  - [   0.0002640600000000, -0.0000962700000000, -0.0005621800000000 ]  - [   0.0001735500000000, -0.0000613700000000, -0.0003766600000000 ]  - [   0.0002179000000000,  0.0000703900000000, -0.0004647900000000 ]  - [  -0.0020898300000000,  0.0013535400000000, -0.0021050100000000 ]  - [   0.0016760000000000,  0.0014046600000000,  0.0030731300000000 ]  - [  -0.0002168800000000,  0.0004324900000000,  0.0004669100000000 ]  - [  -0.0002158700000000, -0.0000068600000000,  0.0004756400000000 ]  - [  -0.0002209700000000,  0.0000297200000000,  0.0004634300000000 ]  - [  -0.0002179900000000, -0.0000264200000000,  0.0004647700000000 ]  - [   0.0007800400000000, -0.0001154900000000,  0.0022131000000000 ]  - [   0.0009044500000000,  0.0000483500000000,  0.0022380200000000 ]  - [   0.0006581000000000,  0.0000988300000000,  0.0021889700000000 ]  - [   0.0007808600000000, -0.0000675200000000,  0.0022126500000000 ]  - [   0.0007735000000000,  0.0000187900000000,  0.0021993900000000 ]  - [   0.0007888200000000,  0.0000697300000000,  0.0022266000000000 ]  - [  -0.0007780000000000, -0.0010923400000000, -0.0021953200000000 ]  - [  -0.0008381900000000, -0.0000012300000000, -0.0023287700000000 ]  - [  -0.0007238200000000,  0.0000486300000000, -0.0021005000000000 ]  - [  -0.0007802900000000, -0.0001056400000000, -0.0022123000000000 ]  - [  -0.0008473700000000,  0.0000238600000000, -0.0021876900000000 ]  - [  -0.0007144600000000,  0.0000745400000000, -0.0022386000000000 ]  - [  -0.0008530100000000, -0.0290936100000000,  0.0010269300000000 ]  - [  -0.0015567500000000,  0.0025995600000000,  0.0018279700000000 ]  - [  -0.0004321900000000,  0.0025922700000000,  0.0011318200000000 ]  - [  -0.0009906800000000, -0.0000532000000000,  0.0014691600000000 ]  - [  -0.0009948300000000,  0.0000085400000000,  0.0014852100000000 ]  - [  -0.0009894900000000,  0.0000526200000000,  0.0014588100000000 ]  - [   0.0009906500000000, -0.0001093800000000, -0.0014692600000000 ]  - [   0.0010279300000000,  0.0000332100000000, -0.0015045900000000 ]  - [   0.0009566500000000,  0.0000773100000000, -0.0014395500000000 ]  - [   0.0009907300000000, -0.0001203300000000, -0.0014694700000000 ]  - [   0.0010316400000000,  0.0000355600000000, -0.0014700400000000 ]  - [   0.0009530800000000,  0.0000797600000000, -0.0014750900000000 ]  - [   0.0002242400000000,  0.0000440900000000, -0.0004650300000000 ]  - [   0.0001673900000000,  0.0001062400000000, -0.0006411000000000 ]  - [   0.0002694700000000,  0.0001439100000000, -0.0002991700000000 ]  - [   0.0002179900000000, -0.0000608400000000, -0.0004650700000000 ]  - [   0.0002284800000000,  0.0000114900000000, -0.0004699400000000 ]  - [   0.0002080300000000,  0.0000482500000000, -0.0004698400000000 ]  - [  -0.0002182200000000, -0.0000940600000000,  0.0004646400000000 ]  - [  -0.0002667400000000,  0.0000325800000000,  0.0005219300000000 ]  - [  -0.0001702300000000,  0.0000690300000000,  0.0004173100000000 ]  - [  -0.0002175500000000, -0.0000410000000000,  0.0004657700000000 ]  - [  -0.0002167000000000,  0.0000049900000000,  0.0004766100000000 ]  - [  -0.0002202700000000,  0.0000423400000000,  0.0004623900000000 ]  - [   0.0013451200000000, -0.0000516900000000,  0.0016096700000000 ]  - [   0.0002065800000000, -0.0000071200000000,  0.0028219600000000 ]  - [   0.0007804400000000,  0.0000348900000000,  0.0022123300000000 ]  - [   0.0007989400000000, -0.0000170900000000,  0.0022146600000000 ]  - [   0.0007635600000000,  0.0000332200000000,  0.0022116100000000 ]  - [   0.0007806400000000, -0.0000316200000000,  0.0022126400000000 ]  - [  -0.0007847700000000, -0.0000054200000000, -0.0021970000000000 ]  - [  -0.0007776800000000,  0.0000450800000000, -0.0022295900000000 ]  - [  -0.0007802600000000, -0.0000309700000000, -0.0022128500000000 ]  - [  -0.0008564700000000, -0.0000982300000000, -0.0023144000000000 ]  - [  -0.0007072600000000, -0.0000486900000000, -0.0021109200000000 ]  - [  -0.0007808700000000,  0.0001052200000000, -0.0022131600000000 ]  - [  -0.0009687100000000, -0.0000162800000000,  0.0014567700000000 ]  - [  -0.0010164500000000,  0.0000275700000000,  0.0014872900000000 ]  - [  -0.0009907100000000, -0.0000063700000000,  0.0014692600000000 ]  - [  -0.0010201900000000, -0.0000098700000000,  0.0014242000000000 ]  - [  -0.0009644600000000,  0.0000336300000000,  0.0015191600000000 ]  - [  -0.0009909700000000, -0.0000243300000000,  0.0014687900000000 ]  - [   0.0052842600000000,  0.0023466200000000, -0.0009053900000000 ]  - [  -0.0033553000000000,  0.0024000700000000, -0.0020336000000000 ]  - [   0.0009904400000000,  0.0002475100000000, -0.0014698300000000 ]  - [   0.0009925300000000, -0.0000068900000000, -0.0014708800000000 ]  - [   0.0009921100000000,  0.0000369400000000, -0.0014732300000000 ]  - [   0.0009905100000000, -0.0000354400000000, -0.0014693700000000 ]  - [  -0.0007073600000000,  0.0000367000000000,  0.0021069000000000 ]  - [  -0.0009945600000000,  0.0000334400000000,  0.0020849800000000 ]  - [  -0.0008520700000000, -0.0000566800000000,  0.0020960400000000 ]  - [  -0.0007412500000000,  0.0000150600000000,  0.0024285800000000 ]  - [  -0.0009590900000000,  0.0000120900000000,  0.0017650500000000 ]  - [  -0.0008517400000000,  0.0000100100000000,  0.0020959500000000 ]  - [   0.0050796400000000,  0.0071991000000000, -0.0077777200000000 ]  - [  -0.0035231600000000,  0.0075158000000000,  0.0039304500000000 ]  - [   0.0008518200000000, -0.0005297400000000, -0.0021032600000000 ]  - [   0.0008454500000000, -0.0000007000000000, -0.0021047800000000 ]  - [   0.0008563300000000, -0.0000041600000000, -0.0020872100000000 ]  - [   0.0008519300000000, -0.0000035400000000, -0.0020956900000000 ]  - [  -0.0021629700000000,  0.0002105400000000, -0.0025788100000000 ]  - [  -0.0021978300000000, -0.0001114400000000, -0.0024718900000000 ]  - [  -0.0021344900000000, -0.0001144100000000, -0.0026850000000000 ]  - [  -0.0021687500000000,  0.0002270200000000, -0.0025730300000000 ]  - [  -0.0020055500000000,  0.0002152000000000, -0.0022584400000000 ]  - [  -0.0023260300000000,  0.0002103500000000, -0.0028973200000000 ]  - [   0.0021672600000000,  0.0009012700000000,  0.0025713100000000 ]  - [   0.0023570700000000, -0.0003769900000000,  0.0022509100000000 ]  - [   0.0019806100000000, -0.0003814100000000,  0.0029036200000000 ]  - [   0.0021639900000000,  0.0000259600000000,  0.0025786300000000 ]  - [   0.0021887600000000, -0.0000098500000000,  0.0025783300000000 ]  - [   0.0021433400000000, -0.0000129600000000,  0.0025790000000000 ]  - [  -0.0008232200000000,  0.0031813500000000,  0.0021266500000000 ]  - [  -0.0005491000000000, -0.0008388100000000,  0.0032187800000000 ]  - [  -0.0011465900000000, -0.0008352200000000,  0.0009809700000000 ]  - [  -0.0008519900000000,  0.0000041500000000,  0.0020958400000000 ]  - [  -0.0008422700000000, -0.0000014300000000,  0.0020685400000000 ]  - [  -0.0008598900000000, -0.0000050500000000,  0.0021247600000000 ]  - [   0.0008520000000000,  0.0000420900000000, -0.0020961100000000 ]  - [   0.0008469100000000, -0.0000229100000000, -0.0020805100000000 ]  - [   0.0008546200000000, -0.0000262900000000, -0.0021131800000000 ]  - [   0.0008514000000000,  0.0000332900000000, -0.0020965200000000 ]  - [   0.0008575300000000, -0.0000227500000000, -0.0020736400000000 ]  - [   0.0008446500000000, -0.0000261600000000, -0.0021174300000000 ]  - [  -0.0021936000000000, -0.0000007600000000, -0.0026877800000000 ]  - [  -0.0021365900000000, -0.0000041300000000, -0.0024660000000000 ]  - [  -0.0021637000000000, -0.0001181900000000, -0.0025786800000000 ]  - [  -0.0020808900000000,  0.0000491000000000, -0.0025639900000000 ]  - [  -0.0022508600000000,  0.0000465300000000, -0.0025934500000000 ]  - [  -0.0021636400000000, -0.0000985700000000, -0.0025789200000000 ]  - [   0.0020367800000000,  0.0000643700000000,  0.0026128700000000 ]  - [   0.0022958900000000,  0.0000616000000000,  0.0025437900000000 ]  - [   0.0021635900000000, -0.0001097300000000,  0.0025783300000000 ]  - [   0.0023241300000000,  0.0000197900000000,  0.0026961700000000 ]  - [   0.0020057600000000,  0.0000230800000000,  0.0024619600000000 ]  - [   0.0021646500000000, -0.0001124300000000,  0.0025788000000000 ]- atom:   25  displacement:    [  -0.0048210325901584,  0.0000000000000000,  0.0087611440328664 ]  forces:  - [  -0.0004138000000000,  0.0003237500000000, -0.0000819400000000 ]  - [  -0.0004138000000000, -0.0003237500000000, -0.0000819400000000 ]  - [   0.0001837000000000,  0.0000000000000000, -0.0005200000000000 ]  - [   0.0001644600000000,  0.0000026400000000, -0.0003737100000000 ]  - [   0.0001644600000000, -0.0000026400000000, -0.0003737100000000 ]  - [   0.0001364600000000,  0.0000000000000000, -0.0002557600000000 ]  - [   0.0008532800000000, -0.0004305800000000,  0.0006892200000000 ]  - [   0.0008532800000000,  0.0004305800000000,  0.0006892200000000 ]  - [  -0.0000913200000000,  0.0000000000000000,  0.0003438000000000 ]  - [  -0.0002324600000000, -0.0000032800000000,  0.0005606700000000 ]  - [  -0.0002324600000000,  0.0000032800000000,  0.0005606700000000 ]  - [  -0.0002184800000000,  0.0000000000000000,  0.0005522500000000 ]  - [   0.0009889500000000,  0.0000000000000000,  0.0021147400000000 ]  - [   0.0009859500000000, -0.0000296300000000,  0.0021450300000000 ]  - [   0.0009859500000000,  0.0000296300000000,  0.0021450300000000 ]  - [   0.0009058700000000,  0.0000000000000000,  0.0023183600000000 ]  - [   0.0008586100000000, -0.0000744900000000,  0.0022990300000000 ]  - [   0.0008586100000000,  0.0000744900000000,  0.0022990300000000 ]  - [   0.0001749900000000,  0.0000000000000000,  0.0062946000000000 ]  - [  -0.0007693900000000, -0.0000866300000000, -0.0022609300000000 ]  - [  -0.0007693900000000,  0.0000866300000000, -0.0022609300000000 ]  - [  -0.0009868000000000,  0.0000000000000000, -0.0021184400000000 ]  - [  -0.0009952300000000, -0.0000251400000000, -0.0021266900000000 ]  - [  -0.0009952300000000,  0.0000251400000000, -0.0021266900000000 ]  - [   0.0155324500000000,  0.0000000000000000, -0.0357270300000000 ]  - [  -0.0008539100000000, -0.0005970900000000,  0.0001531500000000 ]  - [  -0.0008539100000000,  0.0005970900000000,  0.0001531500000000 ]  - [  -0.0009553000000000,  0.0000000000000000,  0.0017377200000000 ]  - [  -0.0009659500000000, -0.0000315700000000,  0.0017400800000000 ]  - [  -0.0009659500000000,  0.0000315700000000,  0.0017400800000000 ]  - [   0.0008189500000000,  0.0000000000000000, -0.0017353800000000 ]  - [   0.0009249500000000, -0.0000644000000000, -0.0017482200000000 ]  - [   0.0009249500000000,  0.0000644000000000, -0.0017482200000000 ]  - [   0.0011601200000000,  0.0000000000000000, -0.0009515600000000 ]  - [   0.0011665400000000, -0.0000355600000000, -0.0009874100000000 ]  - [   0.0011665400000000,  0.0000355600000000, -0.0009874100000000 ]  - [   0.0015065800000000,  0.0000000000000000, -0.0004221600000000 ]  - [   0.0001868300000000, -0.0000448300000000, -0.0006352400000000 ]  - [   0.0001868300000000,  0.0000448300000000, -0.0006352400000000 ]  - [   0.0002642200000000,  0.0000000000000000, -0.0004137400000000 ]  - [   0.0002743900000000, -0.0000221800000000, -0.0004186200000000 ]  - [   0.0002743900000000,  0.0000221800000000, -0.0004186200000000 ]  - [  -0.0002842200000000,  0.0000000000000000,  0.0004013300000000 ]  - [  -0.0002828900000000, -0.0000259100000000,  0.0004132200000000 ]  - [  -0.0002828900000000,  0.0000259100000000,  0.0004132200000000 ]  - [  -0.0000067000000000,  0.0000000000000000,  0.0009315600000000 ]  - [  -0.0002185600000000, -0.0000903300000000,  0.0006250700000000 ]  - [  -0.0002185600000000,  0.0000903300000000,  0.0006250700000000 ]  - [   0.0003772400000000, -0.0000779000000000,  0.0024640600000000 ]  - [   0.0003772400000000,  0.0000779000000000,  0.0024640600000000 ]  - [   0.0005852200000000,  0.0000000000000000,  0.0022040800000000 ]  - [   0.0005344500000000,  0.0000891100000000,  0.0023816600000000 ]  - [   0.0005344500000000, -0.0000891100000000,  0.0023816600000000 ]  - [   0.0007581000000000,  0.0000000000000000,  0.0022727800000000 ]  - [  -0.0007339800000000,  0.0000034400000000, -0.0022250500000000 ]  - [  -0.0007339800000000, -0.0000034400000000, -0.0022250500000000 ]  - [  -0.0007534200000000,  0.0000000000000000, -0.0022541600000000 ]  - [  -0.0005565900000000,  0.0000206400000000, -0.0022419400000000 ]  - [  -0.0005565900000000, -0.0000206400000000, -0.0022419400000000 ]  - [  -0.0004487100000000,  0.0000000000000000, -0.0020888700000000 ]  - [  -0.0010706200000000,  0.0000061300000000,  0.0011975600000000 ]  - [  -0.0010706200000000, -0.0000061300000000,  0.0011975600000000 ]  - [  -0.0010598600000000,  0.0000000000000000,  0.0012352700000000 ]  - [  -0.0007953900000000,  0.0000093500000000,  0.0019589400000000 ]  - [  -0.0007953900000000, -0.0000093500000000,  0.0019589400000000 ]  - [  -0.0008105400000000,  0.0000000000000000,  0.0019508700000000 ]  - [  -0.0012544500000000, -0.0016102100000000, -0.0031813300000000 ]  - [  -0.0012544500000000,  0.0016102100000000, -0.0031813300000000 ]  - [   0.0008956700000000,  0.0000000000000000, -0.0020872700000000 ]  - [   0.0010450800000000, -0.0000177300000000, -0.0012107200000000 ]  - [   0.0010450800000000,  0.0000177300000000, -0.0012107200000000 ]  - [   0.0010464900000000,  0.0000000000000000, -0.0012399400000000 ]  - [  -0.0004591700000000, -0.0000268600000000,  0.0024795900000000 ]  - [  -0.0004591700000000,  0.0000268600000000,  0.0024795900000000 ]  - [  -0.0008281500000000,  0.0000000000000000,  0.0024121100000000 ]  - [  -0.0010972000000000,  0.0000142100000000,  0.0014796500000000 ]  - [  -0.0010972000000000, -0.0000142100000000,  0.0014796500000000 ]  - [  -0.0011495900000000,  0.0000000000000000,  0.0013461000000000 ]  - [  -0.0051768300000000, -0.0088678500000000,  0.0120035500000000 ]  - [  -0.0051768300000000,  0.0088678500000000,  0.0120035500000000 ]  - [   0.0011875600000000,  0.0000000000000000, -0.0004519100000000 ]  - [   0.0008791800000000,  0.0000108100000000, -0.0025187100000000 ]  - [   0.0008791800000000, -0.0000108100000000, -0.0025187100000000 ]  - [   0.0008052100000000,  0.0000000000000000, -0.0024323700000000 ]  - [  -0.0013488500000000,  0.0000000000000000, -0.0030819200000000 ]  - [  -0.0021089200000000,  0.0003041400000000, -0.0027151000000000 ]  - [  -0.0021089200000000, -0.0003041400000000, -0.0027151000000000 ]  - [  -0.0017337200000000,  0.0000000000000000, -0.0023950400000000 ]  - [  -0.0016501600000000,  0.0002333100000000, -0.0025352400000000 ]  - [  -0.0016501600000000, -0.0002333100000000, -0.0025352400000000 ]  - [   0.0019644400000000,  0.0000000000000000,  0.0041160300000000 ]  - [   0.0017122700000000,  0.0001842500000000,  0.0027966900000000 ]  - [   0.0017122700000000, -0.0001842500000000,  0.0027966900000000 ]  - [   0.0020555400000000,  0.0000000000000000,  0.0025099600000000 ]  - [   0.0021177800000000,  0.0000352500000000,  0.0025087000000000 ]  - [   0.0021177800000000, -0.0000352500000000,  0.0025087000000000 ]  - [  -0.0040081400000000,  0.0000000000000000,  0.0033931300000000 ]  - [  -0.0010226000000000,  0.0001818300000000,  0.0028280900000000 ]  - [  -0.0010226000000000, -0.0001818300000000,  0.0028280900000000 ]  - [  -0.0008498800000000,  0.0000000000000000,  0.0017355200000000 ]  - [  -0.0008605300000000,  0.0000147200000000,  0.0017360000000000 ]  - [  -0.0008605300000000, -0.0000147200000000,  0.0017360000000000 ]  - [   0.0009362100000000,  0.0000000000000000, -0.0016323700000000 ]  - [   0.0008888200000000,  0.0000164300000000, -0.0017005500000000 ]  - [   0.0008888200000000, -0.0000164300000000, -0.0017005500000000 ]  - [   0.0005275800000000,  0.0000000000000000, -0.0028599000000000 ]  - [   0.0006842500000000,  0.0000072900000000, -0.0027021700000000 ]  - [   0.0006842500000000, -0.0000072900000000, -0.0027021700000000 ]  - [  -0.0022453900000000, -0.0000559800000000, -0.0025370300000000 ]  - [  -0.0022453900000000,  0.0000559800000000, -0.0025370300000000 ]  - [  -0.0022732400000000,  0.0000000000000000, -0.0024206100000000 ]  - [  -0.0023649400000000, -0.0000132900000000, -0.0026240700000000 ]  - [  -0.0023649400000000,  0.0000132900000000, -0.0026240700000000 ]  - [  -0.0023981200000000,  0.0000000000000000, -0.0026182200000000 ]  - [   0.0024045200000000, -0.0000036400000000,  0.0026191300000000 ]  - [   0.0024045200000000,  0.0000036400000000,  0.0026191300000000 ]  - [   0.0024023000000000,  0.0000000000000000,  0.0026267800000000 ]  - [   0.0016222800000000, -0.0009777100000000,  0.0021293700000000 ]  - [   0.0016222800000000,  0.0009777100000000,  0.0021293700000000 ]  - [   0.0022645700000000,  0.0000000000000000,  0.0024421200000000 ]- atom:   25  displacement:    [   0.0048210325901584,  0.0000000000000000, -0.0087611440328664 ]  forces:  - [   0.0008624300000000, -0.0003682800000000, -0.0008689600000000 ]  - [   0.0008624300000000,  0.0003682800000000, -0.0008689600000000 ]  - [   0.0002523800000000,  0.0000000000000000, -0.0004131200000000 ]  - [   0.0002731900000000, -0.0000388900000000, -0.0005705600000000 ]  - [   0.0002731900000000,  0.0000388900000000, -0.0005705600000000 ]  - [   0.0002998100000000,  0.0000000000000000, -0.0006771500000000 ]  - [  -0.0012858800000000,  0.0003903700000000,  0.0002434100000000 ]  - [  -0.0012858800000000, -0.0003903700000000,  0.0002434100000000 ]  - [  -0.0003459900000000,  0.0000000000000000,  0.0005893900000000 ]  - [  -0.0002047600000000, -0.0000334800000000,  0.0003818900000000 ]  - [  -0.0002047600000000,  0.0000334800000000,  0.0003818900000000 ]  - [  -0.0002180200000000,  0.0000000000000000,  0.0003807800000000 ]  - [   0.0005650000000000,  0.0000000000000000,  0.0023123100000000 ]  - [   0.0005697800000000, -0.0000212800000000,  0.0022829900000000 ]  - [   0.0005697800000000,  0.0000212800000000,  0.0022829900000000 ]  - [   0.0006500400000000,  0.0000000000000000,  0.0021084500000000 ]  - [   0.0006977900000000,  0.0000236900000000,  0.0021285600000000 ]  - [   0.0006977900000000, -0.0000236900000000,  0.0021285600000000 ]  - [  -0.0017612700000000,  0.0000000000000000, -0.0109291200000000 ]  - [  -0.0007877400000000,  0.0000364700000000, -0.0021674000000000 ]  - [  -0.0007877400000000, -0.0000364700000000, -0.0021674000000000 ]  - [  -0.0005678300000000,  0.0000000000000000, -0.0023083200000000 ]  - [  -0.0005610300000000, -0.0000255700000000, -0.0023015000000000 ]  - [  -0.0005610300000000,  0.0000255700000000, -0.0023015000000000 ]  - [  -0.0173384000000000,  0.0000000000000000,  0.0381557200000000 ]  - [  -0.0011287400000000,  0.0005483300000000,  0.0027899000000000 ]  - [  -0.0011287400000000, -0.0005483300000000,  0.0027899000000000 ]  - [  -0.0010274800000000,  0.0000000000000000,  0.0011979100000000 ]  - [  -0.0010197800000000, -0.0000123600000000,  0.0012012400000000 ]  - [  -0.0010197800000000,  0.0000123600000000,  0.0012012400000000 ]  - [   0.0011630600000000,  0.0000000000000000, -0.0012000600000000 ]  - [   0.0010602800000000,  0.0000205500000000, -0.0011930900000000 ]  - [   0.0010602800000000, -0.0000205500000000, -0.0011930900000000 ]  - [   0.0008227800000000,  0.0000000000000000, -0.0019848900000000 ]  - [   0.0008197500000000, -0.0000085300000000, -0.0019549200000000 ]  - [   0.0008197500000000,  0.0000085300000000, -0.0019549200000000 ]  - [  -0.0010798400000000,  0.0000000000000000, -0.0005084700000000 ]  - [   0.0002504800000000,  0.0000082900000000, -0.0003080200000000 ]  - [   0.0002504800000000, -0.0000082900000000, -0.0003080200000000 ]  - [   0.0001717500000000,  0.0000000000000000, -0.0005203700000000 ]  - [   0.0001623400000000, -0.0000146200000000, -0.0005250100000000 ]  - [   0.0001623400000000,  0.0000146200000000, -0.0005250100000000 ]  - [  -0.0001519500000000,  0.0000000000000000,  0.0005309700000000 ]  - [  -0.0001540300000000, -0.0000109500000000,  0.0005289200000000 ]  - [  -0.0001540300000000,  0.0000109500000000,  0.0005289200000000 ]  - [  -0.0004343800000000,  0.0000000000000000, -0.0000029900000000 ]  - [  -0.0002188800000000,  0.0000535100000000,  0.0003176200000000 ]  - [  -0.0002188800000000, -0.0000535100000000,  0.0003176200000000 ]  - [   0.0011746000000000,  0.0000291400000000,  0.0019661800000000 ]  - [   0.0011746000000000, -0.0000291400000000,  0.0019661800000000 ]  - [   0.0009700600000000,  0.0000000000000000,  0.0022209700000000 ]  - [   0.0010231700000000, -0.0001409000000000,  0.0020453500000000 ]  - [   0.0010231700000000,  0.0001409000000000,  0.0020453500000000 ]  - [   0.0007956900000000,  0.0000000000000000,  0.0021540000000000 ]  - [  -0.0008216800000000, -0.0000543000000000, -0.0022033300000000 ]  - [  -0.0008216800000000,  0.0000543000000000, -0.0022033300000000 ]  - [  -0.0008004900000000,  0.0000000000000000, -0.0021731100000000 ]  - [  -0.0010001200000000, -0.0000704800000000, -0.0021890400000000 ]  - [  -0.0010001200000000,  0.0000704800000000, -0.0021890400000000 ]  - [  -0.0011049300000000,  0.0000000000000000, -0.0023388500000000 ]  - [  -0.0009149800000000, -0.0000501500000000,  0.0017446000000000 ]  - [  -0.0009149800000000,  0.0000501500000000,  0.0017446000000000 ]  - [  -0.0009222300000000,  0.0000000000000000,  0.0017010000000000 ]  - [  -0.0011903300000000, -0.0000534900000000,  0.0009827400000000 ]  - [  -0.0011903300000000,  0.0000534900000000,  0.0009827400000000 ]  - [  -0.0011719800000000,  0.0000000000000000,  0.0009851900000000 ]  - [   0.0032447200000000,  0.0015595700000000,  0.0002236400000000 ]  - [   0.0032447200000000, -0.0015595700000000,  0.0002236400000000 ]  - [   0.0010870400000000,  0.0000000000000000, -0.0008497000000000 ]  - [   0.0009401600000000, -0.0000262200000000, -0.0017318600000000 ]  - [   0.0009401600000000,  0.0000262200000000, -0.0017318600000000 ]  - [   0.0009351900000000,  0.0000000000000000, -0.0016968700000000 ]  - [  -0.0012482100000000,  0.0000297200000000,  0.0017095300000000 ]  - [  -0.0012482100000000, -0.0000297200000000,  0.0017095300000000 ]  - [  -0.0008781900000000,  0.0000000000000000,  0.0017779000000000 ]  - [  -0.0006074900000000, -0.0000100000000000,  0.0027134100000000 ]  - [  -0.0006074900000000,  0.0000100000000000,  0.0027134100000000 ]  - [  -0.0005585500000000,  0.0000000000000000,  0.0028435400000000 ]  - [   0.0067639100000000,  0.0084377900000000, -0.0158074300000000 ]  - [   0.0067639100000000, -0.0084377900000000, -0.0158074300000000 ]  - [   0.0005188200000000,  0.0000000000000000, -0.0037302700000000 ]  - [   0.0008249300000000, -0.0000075700000000, -0.0016716000000000 ]  - [   0.0008249300000000,  0.0000075700000000, -0.0016716000000000 ]  - [   0.0009017500000000,  0.0000000000000000, -0.0017580700000000 ]  - [  -0.0029807400000000,  0.0000000000000000, -0.0020698800000000 ]  - [  -0.0022172900000000, -0.0003040500000000, -0.0024384800000000 ]  - [  -0.0022172900000000,  0.0003040500000000, -0.0024384800000000 ]  - [  -0.0025915100000000,  0.0000000000000000, -0.0027522500000000 ]  - [  -0.0026758800000000, -0.0002305800000000, -0.0026170600000000 ]  - [  -0.0026758800000000,  0.0002305800000000, -0.0026170600000000 ]  - [   0.0023622400000000,  0.0000000000000000,  0.0010539200000000 ]  - [   0.0026142500000000, -0.0001784900000000,  0.0023629300000000 ]  - [   0.0026142500000000,  0.0001784900000000,  0.0023629300000000 ]  - [   0.0022673800000000,  0.0000000000000000,  0.0026440600000000 ]  - [   0.0022084300000000, -0.0000328000000000,  0.0026449800000000 ]  - [   0.0022084300000000,  0.0000328000000000,  0.0026449800000000 ]  - [   0.0023658700000000,  0.0000000000000000,  0.0007730500000000 ]  - [  -0.0006822400000000, -0.0001788700000000,  0.0013579500000000 ]  - [  -0.0006822400000000,  0.0001788700000000,  0.0013579500000000 ]  - [  -0.0008566200000000,  0.0000000000000000,  0.0024554300000000 ]  - [  -0.0008443000000000, -0.0000111600000000,  0.0024558500000000 ]  - [  -0.0008443000000000,  0.0000111600000000,  0.0024558500000000 ]  - [   0.0007695000000000,  0.0000000000000000, -0.0025592600000000 ]  - [   0.0008146800000000, -0.0000129500000000, -0.0024919300000000 ]  - [   0.0008146800000000,  0.0000129500000000, -0.0024919300000000 ]  - [   0.0011783300000000,  0.0000000000000000, -0.0013350800000000 ]  - [   0.0010191000000000, -0.0000038500000000, -0.0014896700000000 ]  - [   0.0010191000000000,  0.0000038500000000, -0.0014896700000000 ]  - [  -0.0020814200000000,  0.0000619000000000, -0.0026110200000000 ]  - [  -0.0020814200000000, -0.0000619000000000, -0.0026110200000000 ]  - [  -0.0020508400000000,  0.0000000000000000, -0.0027336600000000 ]  - [  -0.0019618900000000,  0.0000157600000000, -0.0025297400000000 ]  - [  -0.0019618900000000, -0.0000157600000000, -0.0025297400000000 ]  - [  -0.0019252900000000,  0.0000000000000000, -0.0025358600000000 ]  - [   0.0019222800000000,  0.0000064000000000,  0.0025351000000000 ]  - [   0.0019222800000000, -0.0000064000000000,  0.0025351000000000 ]  - [   0.0019204400000000,  0.0000000000000000,  0.0025277800000000 ]  - [   0.0027150900000000,  0.0009913500000000,  0.0030300000000000 ]  - [   0.0027150900000000, -0.0009913500000000,  0.0030300000000000 ]  - [   0.0020600500000000,  0.0000000000000000,  0.0027125900000000 ]- atom:   73  displacement:    [   0.0099998577487433,  0.0000000000000000,  0.0000533385873285 ]  forces:  - [   0.0356981600000000,  0.0000000000000000, -0.0049765700000000 ]  - [   0.0005097200000000, -0.0003148800000000, -0.0005122400000000 ]  - [   0.0005097200000000,  0.0003148800000000, -0.0005122400000000 ]  - [   0.0001960700000000,  0.0000000000000000, -0.0004837400000000 ]  - [   0.0002050400000000,  0.0000401600000000, -0.0004803400000000 ]  - [   0.0002050400000000, -0.0000401600000000, -0.0004803400000000 ]  - [  -0.0004735900000000,  0.0000000000000000,  0.0008334600000000 ]  - [  -0.0002445400000000,  0.0000713200000000,  0.0005610700000000 ]  - [  -0.0002445400000000, -0.0000713200000000,  0.0005610700000000 ]  - [   0.0006452100000000,  0.0000000000000000,  0.0007028900000000 ]  - [  -0.0004956800000000,  0.0004468700000000,  0.0003330600000000 ]  - [  -0.0004956800000000, -0.0004468700000000,  0.0003330600000000 ]  - [   0.0011213100000000, -0.0001345600000000,  0.0023637100000000 ]  - [   0.0009315500000000,  0.0000000000000000,  0.0022842300000000 ]  - [   0.0011213100000000,  0.0001345600000000,  0.0023637100000000 ]  - [   0.0001435300000000, -0.0005504500000000,  0.0026550800000000 ]  - [   0.0010189900000000,  0.0000000000000000,  0.0021435800000000 ]  - [   0.0001435300000000,  0.0005504500000000,  0.0026550800000000 ]  - [  -0.0016765700000000,  0.0002495300000000, -0.0024206100000000 ]  - [  -0.0008811100000000,  0.0000000000000000, -0.0021892400000000 ]  - [  -0.0016765700000000, -0.0002495300000000, -0.0024206100000000 ]  - [  -0.0009502100000000, -0.0000648400000000, -0.0023133500000000 ]  - [  -0.0009454900000000,  0.0000000000000000, -0.0022783200000000 ]  - [  -0.0009502100000000,  0.0000648400000000, -0.0023133500000000 ]  - [  -0.0014133400000000,  0.0000976000000000,  0.0016836600000000 ]  - [  -0.0010477800000000,  0.0000000000000000,  0.0014724800000000 ]  - [  -0.0014133400000000, -0.0000976000000000,  0.0016836600000000 ]  - [  -0.0012078300000000,  0.0000659000000000,  0.0010646600000000 ]  - [  -0.0011094300000000,  0.0000000000000000,  0.0010671700000000 ]  - [  -0.0012078300000000, -0.0000659000000000,  0.0010646600000000 ]  - [   0.0065205000000000, -0.0042762700000000, -0.0051430000000000 ]  - [   0.0013187700000000,  0.0000000000000000, -0.0009062300000000 ]  - [   0.0065205000000000,  0.0042762700000000, -0.0051430000000000 ]  - [   0.0010320800000000, -0.0000395700000000, -0.0014151100000000 ]  - [   0.0010354800000000,  0.0000000000000000, -0.0015063200000000 ]  - [   0.0010320800000000,  0.0000395700000000, -0.0014151100000000 ]  - [  -0.0004602600000000, -0.0003120000000000, -0.0002583800000000 ]  - [   0.0002637900000000,  0.0000000000000000, -0.0004446300000000 ]  - [  -0.0004602600000000,  0.0003120000000000, -0.0002583800000000 ]  - [   0.0002546100000000, -0.0001011400000000, -0.0005825600000000 ]  - [   0.0002340400000000,  0.0000000000000000, -0.0005820400000000 ]  - [   0.0002546100000000,  0.0001011400000000, -0.0005825600000000 ]  - [  -0.0002859600000000, -0.0002891800000000, -0.0001185600000000 ]  - [  -0.0002729000000000,  0.0000000000000000,  0.0004723500000000 ]  - [  -0.0002859600000000,  0.0002891800000000, -0.0001185600000000 ]  - [  -0.0003075000000000, -0.0000293100000000,  0.0004251600000000 ]  - [  -0.0001826800000000,  0.0000000000000000,  0.0004668500000000 ]  - [  -0.0003075000000000,  0.0000293100000000,  0.0004251600000000 ]  - [   0.0005167500000000,  0.0000000000000000,  0.0022442100000000 ]  - [   0.0005843700000000,  0.0000418200000000,  0.0022284400000000 ]  - [   0.0005843700000000, -0.0000418200000000,  0.0022284400000000 ]  - [   0.0004693400000000,  0.0000000000000000,  0.0011479500000000 ]  - [   0.0004713400000000, -0.0003406900000000,  0.0024783100000000 ]  - [   0.0004713400000000,  0.0003406900000000,  0.0024783100000000 ]  - [   0.0237581900000000,  0.0000000000000000, -0.0135261400000000 ]  - [  -0.0002916900000000,  0.0009847000000000, -0.0023598000000000 ]  - [  -0.0002916900000000, -0.0009847000000000, -0.0023598000000000 ]  - [  -0.0006638100000000,  0.0000000000000000, -0.0021775200000000 ]  - [  -0.0006513200000000,  0.0000562000000000, -0.0022191900000000 ]  - [  -0.0006513200000000, -0.0000562000000000, -0.0022191900000000 ]  - [   0.0182093400000000,  0.0000000000000000,  0.0085534200000000 ]  - [  -0.0003913900000000, -0.0002588700000000,  0.0016075900000000 ]  - [  -0.0003913900000000,  0.0002588700000000,  0.0016075900000000 ]  - [  -0.0009593300000000,  0.0000000000000000,  0.0014928900000000 ]  - [  -0.0009628200000000,  0.0000362500000000,  0.0014705200000000 ]  - [  -0.0009628200000000, -0.0000362500000000,  0.0014705200000000 ]  - [   0.0007316800000000,  0.0000000000000000, -0.0015185200000000 ]  - [   0.0008472400000000,  0.0000408200000000, -0.0015008100000000 ]  - [   0.0008472400000000, -0.0000408200000000, -0.0015008100000000 ]  - [   0.0006811900000000,  0.0000000000000000, -0.0020189800000000 ]  - [   0.0008400200000000,  0.0000514100000000, -0.0017434100000000 ]  - [   0.0008400200000000, -0.0000514100000000, -0.0017434100000000 ]  - [  -0.0969057400000000,  0.0000000000000000,  0.0071109500000000 ]  - [  -0.0001152600000000, -0.0013406300000000,  0.0026272500000000 ]  - [  -0.0001152600000000,  0.0013406300000000,  0.0026272500000000 ]  - [  -0.0009363600000000,  0.0000000000000000,  0.0021047000000000 ]  - [  -0.0009461000000000,  0.0000147700000000,  0.0021410300000000 ]  - [  -0.0009461000000000, -0.0000147700000000,  0.0021410300000000 ]  - [   0.0015595000000000,  0.0000000000000000, -0.0024409200000000 ]  - [   0.0010645500000000, -0.0002121400000000, -0.0023088600000000 ]  - [   0.0010645500000000,  0.0002121400000000, -0.0023088600000000 ]  - [   0.0018144700000000,  0.0000000000000000, -0.0010412100000000 ]  - [   0.0015008200000000, -0.0000466800000000, -0.0019422600000000 ]  - [   0.0015008200000000,  0.0000466800000000, -0.0019422600000000 ]  - [   0.0013806100000000, -0.0079078900000000,  0.0054798300000000 ]  - [  -0.0015759600000000,  0.0000000000000000, -0.0024462800000000 ]  - [   0.0013806100000000,  0.0079078900000000,  0.0054798300000000 ]  - [  -0.0019917300000000,  0.0000192300000000, -0.0024998600000000 ]  - [  -0.0020213900000000,  0.0000000000000000, -0.0025107600000000 ]  - [  -0.0019917300000000, -0.0000192300000000, -0.0024998600000000 ]  - [   0.0020954200000000, -0.0001977400000000,  0.0022758900000000 ]  - [   0.0020366100000000,  0.0000000000000000,  0.0024656900000000 ]  - [   0.0020954200000000,  0.0001977400000000,  0.0022758900000000 ]  - [   0.0014334900000000,  0.0028965300000000, -0.0015779200000000 ]  - [   0.0027456300000000,  0.0000000000000000,  0.0022715900000000 ]  - [   0.0014334900000000, -0.0028965300000000, -0.0015779200000000 ]  - [   0.0001219400000000, -0.0000026300000000,  0.0021136400000000 ]  - [  -0.0008715100000000,  0.0000000000000000,  0.0020780800000000 ]  - [   0.0001219400000000,  0.0000026300000000,  0.0021136400000000 ]  - [  -0.0005518000000000, -0.0001017000000000,  0.0026792800000000 ]  - [  -0.0005986000000000,  0.0000000000000000,  0.0024838400000000 ]  - [  -0.0005518000000000,  0.0001017000000000,  0.0026792800000000 ]  - [  -0.0021715900000000,  0.0039426700000000, -0.0003555100000000 ]  - [   0.0005429700000000,  0.0000000000000000, -0.0024855800000000 ]  - [  -0.0021715900000000, -0.0039426700000000, -0.0003555100000000 ]  - [   0.0010017700000000, -0.0000503000000000, -0.0022130200000000 ]  - [   0.0006281800000000,  0.0000000000000000, -0.0020263900000000 ]  - [   0.0010017700000000,  0.0000503000000000, -0.0022130200000000 ]  - [   0.0004672600000000,  0.0000000000000000, -0.0033542500000000 ]  - [  -0.0023535600000000,  0.0005317500000000, -0.0027770000000000 ]  - [  -0.0023535600000000, -0.0005317500000000, -0.0027770000000000 ]  - [  -0.0027258600000000,  0.0000000000000000, -0.0026169900000000 ]  - [  -0.0024325800000000, -0.0000734800000000, -0.0026770600000000 ]  - [  -0.0024325800000000,  0.0000734800000000, -0.0026770600000000 ]  - [   0.0024885300000000,  0.0000000000000000,  0.0027366100000000 ]  - [   0.0023053200000000,  0.0002063300000000,  0.0027098800000000 ]  - [   0.0023053200000000, -0.0002063300000000,  0.0027098800000000 ]  - [   0.0025964700000000,  0.0000000000000000,  0.0028865200000000 ]  - [   0.0022597400000000, -0.0002433700000000,  0.0027764100000000 ]  - [   0.0022597400000000,  0.0002433700000000,  0.0027764100000000 ]- atom:   73  displacement:    [  -0.0099998577487433,  0.0000000000000000, -0.0000533385873285 ]  forces:  - [  -0.0370330400000000,  0.0000000000000000,  0.0038885800000000 ]  - [  -0.0000766300000000,  0.0003943200000000, -0.0004233200000000 ]  - [  -0.0000766300000000, -0.0003943200000000, -0.0004233200000000 ]  - [   0.0002435900000000,  0.0000000000000000, -0.0004694300000000 ]  - [   0.0002325600000000,  0.0000333300000000, -0.0004533200000000 ]  - [   0.0002325600000000, -0.0000333300000000, -0.0004533200000000 ]  - [   0.0000341500000000,  0.0000000000000000,  0.0001176200000000 ]  - [  -0.0001939600000000,  0.0000019600000000,  0.0003731600000000 ]  - [  -0.0001939600000000, -0.0000019600000000,  0.0003731600000000 ]  - [  -0.0010810200000000,  0.0000000000000000,  0.0002478500000000 ]  - [   0.0000578600000000, -0.0003741200000000,  0.0006026100000000 ]  - [   0.0000578600000000,  0.0003741200000000,  0.0006026100000000 ]  - [   0.0004332200000000,  0.0000312600000000,  0.0020699600000000 ]  - [   0.0006264600000000,  0.0000000000000000,  0.0021447000000000 ]  - [   0.0004332200000000, -0.0000312600000000,  0.0020699600000000 ]  - [   0.0014123600000000,  0.0004509400000000,  0.0017702000000000 ]  - [   0.0005403800000000,  0.0000000000000000,  0.0022842200000000 ]  - [   0.0014123600000000, -0.0004509400000000,  0.0017702000000000 ]  - [   0.0001235100000000, -0.0003515400000000, -0.0020056000000000 ]  - [  -0.0006779700000000,  0.0000000000000000, -0.0022401100000000 ]  - [   0.0001235100000000,  0.0003515400000000, -0.0020056000000000 ]  - [  -0.0006041700000000, -0.0000372300000000, -0.0021131600000000 ]  - [  -0.0006121000000000,  0.0000000000000000, -0.0021501900000000 ]  - [  -0.0006041700000000,  0.0000372300000000, -0.0021131600000000 ]  - [  -0.0005641600000000, -0.0001876500000000,  0.0012499400000000 ]  - [  -0.0009404200000000,  0.0000000000000000,  0.0014747600000000 ]  - [  -0.0005641600000000,  0.0001876500000000,  0.0012499400000000 ]  - [  -0.0007728400000000, -0.0001531900000000,  0.0018747600000000 ]  - [  -0.0008778400000000,  0.0000000000000000,  0.0018825600000000 ]  - [  -0.0007728400000000,  0.0001531900000000,  0.0018747600000000 ]  - [  -0.0044780900000000,  0.0042645300000000,  0.0022598500000000 ]  - [   0.0006681700000000,  0.0000000000000000, -0.0020514700000000 ]  - [  -0.0044780900000000, -0.0042645300000000,  0.0022598500000000 ]  - [   0.0009499100000000, -0.0000485000000000, -0.0015212700000000 ]  - [   0.0009530600000000,  0.0000000000000000, -0.0014413100000000 ]  - [   0.0009499100000000,  0.0000485000000000, -0.0015212700000000 ]  - [   0.0008938900000000,  0.0002361600000000, -0.0006745900000000 ]  - [   0.0001764500000000,  0.0000000000000000, -0.0005091400000000 ]  - [   0.0008938900000000, -0.0002361600000000, -0.0006745900000000 ]  - [   0.0001831000000000,  0.0000273200000000, -0.0003507000000000 ]  - [   0.0002052100000000,  0.0000000000000000, -0.0003709000000000 ]  - [   0.0001831000000000, -0.0000273200000000, -0.0003507000000000 ]  - [  -0.0001475600000000,  0.0002208900000000,  0.0010577900000000 ]  - [  -0.0001660500000000,  0.0000000000000000,  0.0004818200000000 ]  - [  -0.0001475600000000, -0.0002208900000000,  0.0010577900000000 ]  - [  -0.0001304400000000, -0.0000439100000000,  0.0005093100000000 ]  - [  -0.0002566100000000,  0.0000000000000000,  0.0004868000000000 ]  - [  -0.0001304400000000,  0.0000439100000000,  0.0005093100000000 ]  - [   0.0010428300000000,  0.0000000000000000,  0.0021842100000000 ]  - [   0.0009716300000000,  0.0000599200000000,  0.0021987600000000 ]  - [   0.0009716300000000, -0.0000599200000000,  0.0021987600000000 ]  - [   0.0010782200000000,  0.0000000000000000,  0.0032845200000000 ]  - [   0.0010893700000000,  0.0004418500000000,  0.0019498900000000 ]  - [   0.0010893700000000, -0.0004418500000000,  0.0019498900000000 ]  - [  -0.0243736400000000,  0.0000000000000000,  0.0083873300000000 ]  - [  -0.0012583200000000, -0.0008744900000000, -0.0020771400000000 ]  - [  -0.0012583200000000,  0.0008744900000000, -0.0020771400000000 ]  - [  -0.0008959800000000,  0.0000000000000000, -0.0022511000000000 ]  - [  -0.0009047900000000,  0.0000455500000000, -0.0022080400000000 ]  - [  -0.0009047900000000, -0.0000455500000000, -0.0022080400000000 ]  - [  -0.0195904800000000,  0.0000000000000000, -0.0049900800000000 ]  - [  -0.0015884800000000,  0.0003484500000000,  0.0013322400000000 ]  - [  -0.0015884800000000, -0.0003484500000000,  0.0013322400000000 ]  - [  -0.0010287200000000,  0.0000000000000000,  0.0014553500000000 ]  - [  -0.0010191600000000,  0.0000516300000000,  0.0014663500000000 ]  - [  -0.0010191600000000, -0.0000516300000000,  0.0014663500000000 ]  - [   0.0012573200000000,  0.0000000000000000, -0.0014291800000000 ]  - [   0.0011350200000000,  0.0000466400000000, -0.0014359300000000 ]  - [   0.0011350200000000, -0.0000466400000000, -0.0014359300000000 ]  - [   0.0013064900000000,  0.0000000000000000, -0.0009268500000000 ]  - [   0.0011425600000000,  0.0000367700000000, -0.0011914200000000 ]  - [   0.0011425600000000, -0.0000367700000000, -0.0011914200000000 ]  - [   0.0954266800000000,  0.0000000000000000, -0.0025548100000000 ]  - [  -0.0015855500000000,  0.0012697800000000,  0.0015959000000000 ]  - [  -0.0015855500000000, -0.0012697800000000,  0.0015959000000000 ]  - [  -0.0007647600000000,  0.0000000000000000,  0.0020887200000000 ]  - [  -0.0007595700000000, -0.0000219000000000,  0.0020504700000000 ]  - [  -0.0007595700000000,  0.0000219000000000,  0.0020504700000000 ]  - [   0.0001396200000000,  0.0000000000000000, -0.0017480500000000 ]  - [   0.0006424800000000,  0.0002074000000000, -0.0018815400000000 ]  - [   0.0006424800000000, -0.0002074000000000, -0.0018815400000000 ]  - [  -0.0001138100000000,  0.0000000000000000, -0.0031412600000000 ]  - [   0.0002018000000000,  0.0000400100000000, -0.0022539600000000 ]  - [   0.0002018000000000, -0.0000400100000000, -0.0022539600000000 ]  - [  -0.0057617100000000,  0.0079779000000000, -0.0107519200000000 ]  - [  -0.0027586500000000,  0.0000000000000000, -0.0027066500000000 ]  - [  -0.0057617100000000, -0.0079779000000000, -0.0107519200000000 ]  - [  -0.0023322000000000, -0.0000138600000000, -0.0026545000000000 ]  - [  -0.0023095500000000,  0.0000000000000000, -0.0026450300000000 ]  - [  -0.0023322000000000,  0.0000138600000000, -0.0026545000000000 ]  - [   0.0022291000000000,  0.0002044000000000,  0.0028782900000000 ]  - [   0.0022944600000000,  0.0000000000000000,  0.0026875600000000 ]  - [   0.0022291000000000, -0.0002044000000000,  0.0028782900000000 ]  - [   0.0028975400000000, -0.0028878100000000,  0.0067245700000000 ]  - [   0.0015939900000000,  0.0000000000000000,  0.0028911500000000 ]  - [   0.0028975400000000,  0.0028878100000000,  0.0067245700000000 ]  - [  -0.0018296300000000,  0.0000090400000000,  0.0020791700000000 ]  - [  -0.0008312900000000,  0.0000000000000000,  0.0021159200000000 ]  - [  -0.0018296300000000, -0.0000090400000000,  0.0020791700000000 ]  - [  -0.0011557500000000,  0.0001085500000000,  0.0015114600000000 ]  - [  -0.0011051500000000,  0.0000000000000000,  0.0017081100000000 ]  - [  -0.0011557500000000, -0.0001085500000000,  0.0015114600000000 ]  - [   0.0038630100000000, -0.0039299600000000, -0.0038615700000000 ]  - [   0.0011581700000000,  0.0000000000000000, -0.0017130400000000 ]  - [   0.0038630100000000,  0.0039299600000000, -0.0038615700000000 ]  - [   0.0007039200000000,  0.0000577600000000, -0.0019800200000000 ]  - [   0.0010739000000000,  0.0000000000000000, -0.0021673800000000 ]  - [   0.0007039200000000, -0.0000577600000000, -0.0019800200000000 ]  - [  -0.0048053200000000,  0.0000000000000000, -0.0018073800000000 ]  - [  -0.0019714000000000, -0.0005355300000000, -0.0023778200000000 ]  - [  -0.0019714000000000,  0.0005355300000000, -0.0023778200000000 ]  - [  -0.0016079600000000,  0.0000000000000000, -0.0025356700000000 ]  - [  -0.0018907100000000,  0.0000673100000000, -0.0024777300000000 ]  - [  -0.0018907100000000, -0.0000673100000000, -0.0024777300000000 ]  - [   0.0018412500000000,  0.0000000000000000,  0.0024109300000000 ]  - [   0.0020174900000000, -0.0002124600000000,  0.0024423000000000 ]  - [   0.0020174900000000,  0.0002124600000000,  0.0024423000000000 ]  - [   0.0017338900000000,  0.0000000000000000,  0.0022660400000000 ]  - [   0.0020628200000000,  0.0002391400000000,  0.0023766800000000 ]  - [   0.0020628200000000, -0.0002391400000000,  0.0023766800000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002901200000000,  0.0025333300000000, -0.0004763700000000 ]  - [   0.0001059800000000, -0.0002399900000000, -0.0002719900000000 ]  - [   0.0003293600000000, -0.0003154300000000, -0.0006741200000000 ]  - [   0.0002202200000000,  0.0000187500000000, -0.0004787700000000 ]  - [   0.0002229800000000,  0.0000271500000000, -0.0004723600000000 ]  - [   0.0002155300000000, -0.0000463500000000, -0.0004657300000000 ]  - [  -0.0002200500000000,  0.0001470100000000,  0.0004786900000000 ]  - [  -0.0000227000000000, -0.0000339500000000,  0.0003040900000000 ]  - [  -0.0004162900000000, -0.0001072700000000,  0.0006345900000000 ]  - [  -0.0002258700000000,  0.0002816000000000,  0.0004802400000000 ]  - [  -0.0002934700000000,  0.0000247900000000,  0.0003290600000000 ]  - [  -0.0001459200000000, -0.0000470300000000,  0.0006115800000000 ]  - [   0.0006356100000000, -0.0000028500000000,  0.0013086600000000 ]  - [   0.0007769000000000, -0.0000365800000000,  0.0022165000000000 ]  - [   0.0009134300000000,  0.0000994800000000,  0.0031178400000000 ]  - [   0.0008927600000000,  0.0000576600000000,  0.0020793900000000 ]  - [   0.0007749700000000,  0.0000243000000000,  0.0022161600000000 ]  - [   0.0006621200000000,  0.0001559900000000,  0.0023479300000000 ]  - [  -0.0008198200000000, -0.0000099700000000, -0.0022147700000000 ]  - [  -0.0007751900000000, -0.0000182400000000, -0.0022157200000000 ]  - [  -0.0007349500000000,  0.0000903200000000, -0.0022149600000000 ]  - [  -0.0008253500000000, -0.0000289200000000, -0.0022202400000000 ]  - [  -0.0007765800000000, -0.0000496500000000, -0.0022152000000000 ]  - [  -0.0007251900000000,  0.0000733300000000, -0.0022082400000000 ]  - [  -0.0009404600000000, -0.0000066400000000,  0.0014638700000000 ]  - [  -0.0009945000000000, -0.0000600700000000,  0.0014730100000000 ]  - [  -0.0010420400000000,  0.0000809300000000,  0.0014725500000000 ]  - [  -0.0010006800000000, -0.0000291600000000,  0.0014774000000000 ]  - [  -0.0009943600000000,  0.0000066400000000,  0.0014745100000000 ]  - [  -0.0009802900000000,  0.0000602900000000,  0.0014607500000000 ]  - [  -0.0062162900000000,  0.0074815900000000,  0.0046705500000000 ]  - [   0.0009923800000000, -0.0005328900000000, -0.0014608300000000 ]  - [   0.0080264200000000,  0.0072375400000000, -0.0072441000000000 ]  - [   0.0009901300000000, -0.0000445000000000, -0.0014786900000000 ]  - [   0.0009944400000000, -0.0000070100000000, -0.0014730800000000 ]  - [   0.0009918900000000,  0.0000436200000000, -0.0014570200000000 ]  - [   0.0002313700000000,  0.0000057400000000, -0.0004326800000000 ]  - [   0.0002197100000000, -0.0000407300000000, -0.0004788400000000 ]  - [   0.0002083000000000,  0.0000770500000000, -0.0005065500000000 ]  - [   0.0001772700000000, -0.0000009200000000, -0.0005586900000000 ]  - [   0.0002204900000000, -0.0000713600000000, -0.0004786200000000 ]  - [   0.0002619600000000,  0.0000731900000000, -0.0003797400000000 ]  - [  -0.0004518500000000,  0.0001518400000000,  0.0005518400000000 ]  - [  -0.0002204000000000, -0.0001778700000000,  0.0004787200000000 ]  - [   0.0000135000000000,  0.0002221300000000,  0.0003907100000000 ]  - [  -0.0002151700000000, -0.0000267400000000,  0.0004828800000000 ]  - [  -0.0002201200000000, -0.0000084500000000,  0.0004787300000000 ]  - [  -0.0002227600000000,  0.0000467400000000,  0.0004548200000000 ]  - [   0.0007766800000000,  0.0000245800000000,  0.0022155300000000 ]  - [   0.0007800900000000,  0.0000398500000000,  0.0022005400000000 ]  - [   0.0007698700000000, -0.0000618200000000,  0.0022290800000000 ]  - [   0.0007836700000000,  0.0002007800000000,  0.0022114600000000 ]  - [   0.0007575600000000,  0.0000183600000000,  0.0020930400000000 ]  - [   0.0007940500000000, -0.0000794700000000,  0.0023368500000000 ]  - [  -0.0008158100000000,  0.0023216400000000, -0.0021965000000000 ]  - [  -0.0009158600000000,  0.0003061400000000, -0.0021043800000000 ]  - [  -0.0006417000000000,  0.0002115700000000, -0.0023152700000000 ]  - [  -0.0007762200000000,  0.0000738700000000, -0.0022153900000000 ]  - [  -0.0007015500000000,  0.0000144300000000, -0.0022567200000000 ]  - [  -0.0008479900000000, -0.0000870300000000, -0.0021725500000000 ]  - [  -0.0010373800000000,  0.0031780500000000,  0.0014612500000000 ]  - [  -0.0014128800000000, -0.0007929000000000,  0.0010289000000000 ]  - [  -0.0005706100000000, -0.0008771700000000,  0.0019037500000000 ]  - [  -0.0009943700000000,  0.0000008900000000,  0.0014730100000000 ]  - [  -0.0009933900000000,  0.0000427900000000,  0.0014514100000000 ]  - [  -0.0009888700000000, -0.0000453700000000,  0.0014834500000000 ]  - [   0.0009950000000000,  0.0000389000000000, -0.0014730700000000 ]  - [   0.0009865000000000,  0.0000217300000000, -0.0014533500000000 ]  - [   0.0009960800000000, -0.0000668700000000, -0.0014817200000000 ]  - [   0.0009956800000000,  0.0000298600000000, -0.0014721300000000 ]  - [   0.0009734000000000,  0.0000213400000000, -0.0014708700000000 ]  - [   0.0010095100000000, -0.0000661400000000, -0.0014635100000000 ]  - [  -0.0006691300000000, -0.0609441700000000,  0.0018700500000000 ]  - [   0.0004836300000000,  0.0119444500000000, -0.0016935800000000 ]  - [  -0.0021672500000000,  0.0117240400000000,  0.0058578400000000 ]  - [  -0.0008522900000000,  0.0000148400000000,  0.0020953000000000 ]  - [  -0.0008728400000000, -0.0000087600000000,  0.0021318100000000 ]  - [  -0.0008358700000000, -0.0000013100000000,  0.0020569800000000 ]  - [   0.0008524200000000, -0.0000532900000000, -0.0020964500000000 ]  - [   0.0006453600000000,  0.0000202700000000, -0.0021091100000000 ]  - [   0.0010648800000000,  0.0000276600000000, -0.0020811500000000 ]  - [   0.0008472700000000,  0.0006037500000000, -0.0021046600000000 ]  - [   0.0008114900000000,  0.0000346200000000, -0.0023338800000000 ]  - [   0.0008953100000000,  0.0000353600000000, -0.0018578300000000 ]  - [  -0.0055531800000000,  0.0038306500000000, -0.0065599600000000 ]  - [  -0.0021723000000000,  0.0005316100000000, -0.0025757400000000 ]  - [   0.0011906900000000,  0.0037706900000000,  0.0013849200000000 ]  - [  -0.0021333300000000, -0.0000104100000000, -0.0025793100000000 ]  - [  -0.0021630300000000,  0.0000272800000000, -0.0025764300000000 ]  - [  -0.0021852800000000, -0.0000157400000000, -0.0025723300000000 ]  - [   0.0018822800000000, -0.0001536600000000,  0.0027752000000000 ]  - [   0.0021631500000000,  0.0003065800000000,  0.0025753300000000 ]  - [   0.0024357000000000, -0.0001594900000000,  0.0023759700000000 ]  - [   0.0036410000000000,  0.0034106300000000, -0.0014531000000000 ]  - [   0.0021635600000000,  0.0000592700000000,  0.0025624100000000 ]  - [   0.0007127700000000,  0.0033462700000000,  0.0065354700000000 ]  - [  -0.0008486100000000, -0.0000105100000000,  0.0020676000000000 ]  - [  -0.0008525700000000,  0.0000141300000000,  0.0020957800000000 ]  - [  -0.0008604300000000, -0.0000167400000000,  0.0021209300000000 ]  - [  -0.0007506300000000, -0.0000014800000000,  0.0022679500000000 ]  - [  -0.0008533900000000,  0.0000276200000000,  0.0020940500000000 ]  - [  -0.0009595200000000, -0.0000096000000000,  0.0019190800000000 ]  - [   0.0047798300000000, -0.0005084400000000,  0.0015702800000000 ]  - [   0.0008493900000000,  0.0008212800000000, -0.0020979200000000 ]  - [  -0.0030537000000000, -0.0004958300000000, -0.0057749400000000 ]  - [   0.0007995200000000,  0.0000100300000000, -0.0020781000000000 ]  - [   0.0008530800000000, -0.0000189500000000, -0.0020955000000000 ]  - [   0.0009078200000000,  0.0000029600000000, -0.0021087300000000 ]  - [  -0.0021709100000000,  0.0002661200000000, -0.0025757600000000 ]  - [  -0.0021613600000000, -0.0000167400000000, -0.0026128400000000 ]  - [  -0.0021544900000000, -0.0000082900000000, -0.0025391300000000 ]  - [  -0.0021636300000000, -0.0005565400000000, -0.0025738300000000 ]  - [  -0.0020527300000000,  0.0003034100000000, -0.0025405700000000 ]  - [  -0.0022666900000000,  0.0003064400000000, -0.0026106900000000 ]  - [   0.0021642000000000, -0.0000862000000000,  0.0025737600000000 ]  - [   0.0022524100000000,  0.0000497200000000,  0.0024998800000000 ]  - [   0.0020677800000000,  0.0000559100000000,  0.0026502000000000 ]  - [   0.0021624600000000, -0.0001177800000000,  0.0025776600000000 ]  - [   0.0021511300000000,  0.0000470800000000,  0.0025573800000000 ]  - [   0.0021670200000000,  0.0000548100000000,  0.0025951500000000 ]- atom:   73  displacement:    [  -0.0048210325901584,  0.0000000000000000,  0.0087611440328664 ]  forces:  - [  -0.0179021200000000,  0.0000000000000000,  0.0048035900000000 ]  - [   0.0002165300000000,  0.0002822700000000,  0.0003053600000000 ]  - [   0.0002165300000000, -0.0002822700000000,  0.0003053600000000 ]  - [   0.0002061600000000,  0.0000000000000000, -0.0006204600000000 ]  - [   0.0001931900000000,  0.0000316700000000, -0.0005857700000000 ]  - [   0.0001931900000000, -0.0000316700000000, -0.0005857700000000 ]  - [   0.0003064500000000,  0.0000000000000000,  0.0000943300000000 ]  - [   0.0000291000000000, -0.0000423100000000,  0.0003518200000000 ]  - [   0.0000291000000000,  0.0000423100000000,  0.0003518200000000 ]  - [  -0.0003285300000000,  0.0000000000000000, -0.0001127500000000 ]  - [   0.0001119300000000, -0.0002555800000000,  0.0005074600000000 ]  - [   0.0001119300000000,  0.0002555800000000,  0.0005074600000000 ]  - [   0.0008332200000000, -0.0000291700000000,  0.0016810900000000 ]  - [   0.0008302000000000,  0.0000000000000000,  0.0022862000000000 ]  - [   0.0008332200000000,  0.0000291700000000,  0.0016810900000000 ]  - [   0.0016896400000000,  0.0004853900000000,  0.0016388300000000 ]  - [   0.0008149600000000,  0.0000000000000000,  0.0021415700000000 ]  - [   0.0016896400000000, -0.0004853900000000,  0.0016388300000000 ]  - [  -0.0005341300000000, -0.0001426900000000, -0.0020326700000000 ]  - [  -0.0008197300000000,  0.0000000000000000, -0.0021183700000000 ]  - [  -0.0005341300000000,  0.0001426900000000, -0.0020326700000000 ]  - [  -0.0009810600000000, -0.0000839100000000, -0.0023567300000000 ]  - [  -0.0009328600000000,  0.0000000000000000, -0.0023032900000000 ]  - [  -0.0009810600000000,  0.0000839100000000, -0.0023567300000000 ]  - [  -0.0006712200000000, -0.0001035600000000,  0.0018119300000000 ]  - [  -0.0008717100000000,  0.0000000000000000,  0.0018441600000000 ]  - [  -0.0006712200000000,  0.0001035600000000,  0.0018119300000000 ]  - [  -0.0012954300000000,  0.0001951600000000,  0.0008175100000000 ]  - [  -0.0010469400000000,  0.0000000000000000,  0.0008576900000000 ]  - [  -0.0012954300000000, -0.0001951600000000,  0.0008175100000000 ]  - [  -0.0069145100000000,  0.0073945400000000,  0.0115920000000000 ]  - [   0.0007018000000000,  0.0000000000000000, -0.0001843300000000 ]  - [  -0.0069145100000000, -0.0073945400000000,  0.0115920000000000 ]  - [   0.0009081600000000, -0.0000385300000000, -0.0019525800000000 ]  - [   0.0009021100000000,  0.0000000000000000, -0.0018352300000000 ]  - [   0.0009081600000000,  0.0000385300000000, -0.0019525800000000 ]  - [   0.0007744300000000,  0.0002983100000000, -0.0002516100000000 ]  - [   0.0002181400000000,  0.0000000000000000, -0.0003349100000000 ]  - [   0.0007744300000000, -0.0002983100000000, -0.0002516100000000 ]  - [   0.0002235500000000, -0.0000634400000000, -0.0007668500000000 ]  - [   0.0002490700000000,  0.0000000000000000, -0.0006834400000000 ]  - [   0.0002235500000000,  0.0000634400000000, -0.0007668500000000 ]  - [  -0.0005644700000000, -0.0002892700000000,  0.0002009700000000 ]  - [  -0.0002706000000000,  0.0000000000000000,  0.0004777300000000 ]  - [  -0.0005644700000000,  0.0002892700000000,  0.0002009700000000 ]  - [  -0.0002221100000000,  0.0000359200000000,  0.0004125800000000 ]  - [  -0.0002715300000000,  0.0000000000000000,  0.0003971600000000 ]  - [  -0.0002221100000000, -0.0000359200000000,  0.0004125800000000 ]  - [   0.0006777600000000,  0.0000000000000000,  0.0022383800000000 ]  - [   0.0006635800000000,  0.0000310600000000,  0.0022601100000000 ]  - [   0.0006635800000000, -0.0000310600000000,  0.0022601100000000 ]  - [  -0.0000053300000000,  0.0000000000000000,  0.0030901200000000 ]  - [   0.0007092500000000,  0.0004114500000000,  0.0020837400000000 ]  - [   0.0007092500000000, -0.0004114500000000,  0.0020837400000000 ]  - [  -0.0228879600000000,  0.0000000000000000,  0.0106613700000000 ]  - [  -0.0010165800000000,  0.0000151800000000, -0.0020756600000000 ]  - [  -0.0010165800000000, -0.0000151800000000, -0.0020756600000000 ]  - [  -0.0005747600000000,  0.0000000000000000, -0.0024113700000000 ]  - [  -0.0006489600000000,  0.0000209300000000, -0.0023503000000000 ]  - [  -0.0006489600000000, -0.0000209300000000, -0.0023503000000000 ]  - [   0.0002091400000000,  0.0000000000000000,  0.0052187400000000 ]  - [  -0.0014007800000000, -0.0007947500000000,  0.0020724100000000 ]  - [  -0.0014007800000000,  0.0007947500000000,  0.0020724100000000 ]  - [  -0.0011036400000000,  0.0000000000000000,  0.0010512000000000 ]  - [  -0.0010721500000000,  0.0000729300000000,  0.0010672800000000 ]  - [  -0.0010721500000000, -0.0000729300000000,  0.0010672800000000 ]  - [   0.0011380200000000,  0.0000000000000000, -0.0009768600000000 ]  - [   0.0011119100000000,  0.0000599300000000, -0.0010258100000000 ]  - [   0.0011119100000000, -0.0000599300000000, -0.0010258100000000 ]  - [   0.0005194500000000,  0.0000000000000000, -0.0023191900000000 ]  - [   0.0008249900000000,  0.0000601000000000, -0.0020738500000000 ]  - [   0.0008249900000000, -0.0000601000000000, -0.0020738500000000 ]  - [   0.0497648400000000,  0.0000000000000000, -0.0671396300000000 ]  - [  -0.0007288300000000,  0.0039495400000000, -0.0023391700000000 ]  - [  -0.0007288300000000, -0.0039495400000000, -0.0023391700000000 ]  - [  -0.0008068500000000,  0.0000000000000000,  0.0027269600000000 ]  - [  -0.0007721900000000, -0.0000454400000000,  0.0026354700000000 ]  - [  -0.0007721900000000,  0.0000454400000000,  0.0026354700000000 ]  - [   0.0002054300000000,  0.0000000000000000, -0.0024883900000000 ]  - [   0.0005668300000000,  0.0000855300000000, -0.0025175000000000 ]  - [   0.0005668300000000, -0.0000855300000000, -0.0025175000000000 ]  - [   0.0013106400000000,  0.0000000000000000, -0.0009155000000000 ]  - [   0.0006743500000000, -0.0001918900000000, -0.0014249300000000 ]  - [   0.0006743500000000,  0.0001918900000000, -0.0014249300000000 ]  - [   0.0001704800000000, -0.0008487400000000, -0.0035008800000000 ]  - [  -0.0023707300000000,  0.0000000000000000, -0.0027202300000000 ]  - [   0.0001704800000000,  0.0008487400000000, -0.0035008800000000 ]  - [  -0.0020113000000000,  0.0000102300000000, -0.0024892200000000 ]  - [  -0.0020458700000000,  0.0000000000000000, -0.0024898800000000 ]  - [  -0.0020113000000000, -0.0000102300000000, -0.0024892200000000 ]  - [   0.0018013200000000,  0.0002316800000000,  0.0030180800000000 ]  - [   0.0020436000000000,  0.0000000000000000,  0.0027625400000000 ]  - [   0.0018013200000000, -0.0002316800000000,  0.0030180800000000 ]  - [   0.0011578300000000, -0.0072525300000000,  0.0120657000000000 ]  - [   0.0020982200000000,  0.0000000000000000,  0.0031646700000000 ]  - [   0.0011578300000000,  0.0072525300000000,  0.0120657000000000 ]  - [  -0.0013037900000000,  0.0000292400000000,  0.0013747500000000 ]  - [  -0.0008562700000000,  0.0000000000000000,  0.0015366700000000 ]  - [  -0.0013037900000000, -0.0000292400000000,  0.0013747500000000 ]  - [  -0.0004927600000000, -0.0000993500000000,  0.0032155600000000 ]  - [  -0.0006378700000000,  0.0000000000000000,  0.0028445500000000 ]  - [  -0.0004927600000000,  0.0000993500000000,  0.0032155600000000 ]  - [   0.0038354300000000,  0.0013289300000000,  0.0026291400000000 ]  - [   0.0006626100000000,  0.0000000000000000, -0.0022577300000000 ]  - [   0.0038354300000000, -0.0013289300000000,  0.0026291400000000 ]  - [   0.0006758200000000,  0.0000428700000000, -0.0013752400000000 ]  - [   0.0010181600000000,  0.0000000000000000, -0.0015869100000000 ]  - [   0.0006758200000000, -0.0000428700000000, -0.0013752400000000 ]  - [  -0.0057363800000000,  0.0000000000000000, -0.0020229500000000 ]  - [  -0.0023470300000000, -0.0004508000000000, -0.0026967400000000 ]  - [  -0.0023470300000000,  0.0004508000000000, -0.0026967400000000 ]  - [  -0.0022120000000000,  0.0000000000000000, -0.0025188700000000 ]  - [  -0.0022941000000000,  0.0001847100000000, -0.0024822100000000 ]  - [  -0.0022941000000000, -0.0001847100000000, -0.0024822100000000 ]  - [   0.0024547400000000,  0.0000000000000000,  0.0025721500000000 ]  - [   0.0023146100000000,  0.0000976600000000,  0.0024457600000000 ]  - [   0.0023146100000000, -0.0000976600000000,  0.0024457600000000 ]  - [   0.0024555100000000,  0.0000000000000000,  0.0023797900000000 ]  - [   0.0022326100000000, -0.0000057800000000,  0.0025555200000000 ]  - [   0.0022326100000000,  0.0000057800000000,  0.0025555200000000 ]- atom:   73  displacement:    [   0.0048210325901584,  0.0000000000000000, -0.0087611440328664 ]  forces:  - [   0.0180776200000000,  0.0000000000000000, -0.0058707900000000 ]  - [   0.0002265900000000, -0.0002123500000000, -0.0012320000000000 ]  - [   0.0002265900000000,  0.0002123500000000, -0.0012320000000000 ]  - [   0.0002337900000000,  0.0000000000000000, -0.0003342300000000 ]  - [   0.0002445100000000,  0.0000418100000000, -0.0003493500000000 ]  - [   0.0002445100000000, -0.0000418100000000, -0.0003493500000000 ]  - [  -0.0007405900000000,  0.0000000000000000,  0.0008551800000000 ]  - [  -0.0004650500000000,  0.0001150300000000,  0.0005820100000000 ]  - [  -0.0004650500000000, -0.0001150300000000,  0.0005820100000000 ]  - [  -0.0001027500000000,  0.0000000000000000,  0.0010566700000000 ]  - [  -0.0005546000000000,  0.0003356400000000,  0.0004272300000000 ]  - [  -0.0005546000000000, -0.0003356400000000,  0.0004272300000000 ]  - [   0.0007165900000000, -0.0000725400000000,  0.0027413400000000 ]  - [   0.0007251000000000,  0.0000000000000000,  0.0021417600000000 ]  - [   0.0007165900000000,  0.0000725400000000,  0.0027413400000000 ]  - [  -0.0001328400000000, -0.0005842600000000,  0.0027874000000000 ]  - [   0.0007424900000000,  0.0000000000000000,  0.0022876400000000 ]  - [  -0.0001328400000000,  0.0005842600000000,  0.0027874000000000 ]  - [  -0.0010245700000000,  0.0000427900000000, -0.0023941800000000 ]  - [  -0.0007368200000000,  0.0000000000000000, -0.0023093700000000 ]  - [  -0.0010245700000000, -0.0000427900000000, -0.0023941800000000 ]  - [  -0.0005720200000000, -0.0000181400000000, -0.0020703700000000 ]  - [  -0.0006228400000000,  0.0000000000000000, -0.0021252800000000 ]  - [  -0.0005720200000000,  0.0000181400000000, -0.0020703700000000 ]  - [  -0.0013109600000000,  0.0000153400000000,  0.0011257200000000 ]  - [  -0.0011180400000000,  0.0000000000000000,  0.0011041400000000 ]  - [  -0.0013109600000000, -0.0000153400000000,  0.0011257200000000 ]  - [  -0.0006900500000000, -0.0002809900000000,  0.0021167000000000 ]  - [  -0.0009436000000000,  0.0000000000000000,  0.0020883400000000 ]  - [  -0.0006900500000000,  0.0002809900000000,  0.0021167000000000 ]  - [   0.0087520700000000, -0.0070114300000000, -0.0141697600000000 ]  - [   0.0012870100000000,  0.0000000000000000, -0.0027747500000000 ]  - [   0.0087520700000000,  0.0070114300000000, -0.0141697600000000 ]  - [   0.0010758800000000, -0.0000493700000000, -0.0009846900000000 ]  - [   0.0010883300000000,  0.0000000000000000, -0.0011131100000000 ]  - [   0.0010758800000000,  0.0000493700000000, -0.0009846900000000 ]  - [  -0.0003434000000000, -0.0003748100000000, -0.0006834400000000 ]  - [   0.0002211000000000,  0.0000000000000000, -0.0006192500000000 ]  - [  -0.0003434000000000,  0.0003748100000000, -0.0006834400000000 ]  - [   0.0002132100000000, -0.0000100600000000, -0.0001688000000000 ]  - [   0.0001898400000000,  0.0000000000000000, -0.0002711000000000 ]  - [   0.0002132100000000,  0.0000100600000000, -0.0001688000000000 ]  - [   0.0001278800000000,  0.0002188800000000,  0.0007386600000000 ]  - [  -0.0001684900000000,  0.0000000000000000,  0.0004761700000000 ]  - [   0.0001278800000000, -0.0002188800000000,  0.0007386600000000 ]  - [  -0.0002162800000000, -0.0001093800000000,  0.0005218500000000 ]  - [  -0.0001681200000000,  0.0000000000000000,  0.0005567000000000 ]  - [  -0.0002162800000000,  0.0001093800000000,  0.0005218500000000 ]  - [   0.0008796800000000,  0.0000000000000000,  0.0021894200000000 ]  - [   0.0008903400000000,  0.0000705400000000,  0.0021666300000000 ]  - [   0.0008903400000000, -0.0000705400000000,  0.0021666300000000 ]  - [   0.0015586100000000,  0.0000000000000000,  0.0013436100000000 ]  - [   0.0008424500000000, -0.0003104300000000,  0.0023469600000000 ]  - [   0.0008424500000000,  0.0003104300000000,  0.0023469600000000 ]  - [   0.0224841400000000,  0.0000000000000000, -0.0157328900000000 ]  - [  -0.0005372900000000,  0.0000860200000000, -0.0023449800000000 ]  - [  -0.0005372900000000, -0.0000860200000000, -0.0023449800000000 ]  - [  -0.0009814500000000,  0.0000000000000000, -0.0020176000000000 ]  - [  -0.0009041800000000,  0.0000806000000000, -0.0020769400000000 ]  - [  -0.0009041800000000, -0.0000806000000000, -0.0020769400000000 ]  - [  -0.0021983500000000,  0.0000000000000000, -0.0022309800000000 ]  - [  -0.0005891600000000,  0.0008786800000000,  0.0008633400000000 ]  - [  -0.0005891600000000, -0.0008786800000000,  0.0008633400000000 ]  - [  -0.0008863800000000,  0.0000000000000000,  0.0018960300000000 ]  - [  -0.0009115800000000,  0.0000150900000000,  0.0018689600000000 ]  - [  -0.0009115800000000, -0.0000150900000000,  0.0018689600000000 ]  - [   0.0008528400000000,  0.0000000000000000, -0.0019700300000000 ]  - [   0.0008718500000000,  0.0000278700000000, -0.0019103700000000 ]  - [   0.0008718500000000, -0.0000278700000000, -0.0019103700000000 ]  - [   0.0014678800000000,  0.0000000000000000, -0.0006318700000000 ]  - [   0.0011578500000000,  0.0000282200000000, -0.0008638100000000 ]  - [   0.0011578500000000, -0.0000282200000000, -0.0008638100000000 ]  - [  -0.0521694300000000,  0.0000000000000000,  0.0717404100000000 ]  - [  -0.0009695500000000, -0.0039438700000000,  0.0065126800000000 ]  - [  -0.0009695500000000,  0.0039438700000000,  0.0065126800000000 ]  - [  -0.0008959700000000,  0.0000000000000000,  0.0014671400000000 ]  - [  -0.0009343600000000,  0.0000380900000000,  0.0015562200000000 ]  - [  -0.0009343600000000, -0.0000380900000000,  0.0015562200000000 ]  - [   0.0014917100000000,  0.0000000000000000, -0.0017045500000000 ]  - [   0.0011391500000000, -0.0000922200000000, -0.0016735200000000 ]  - [   0.0011391500000000,  0.0000922200000000, -0.0016735200000000 ]  - [   0.0004117500000000,  0.0000000000000000, -0.0032541900000000 ]  - [   0.0010340000000000,  0.0001848500000000, -0.0027691200000000 ]  - [   0.0010340000000000, -0.0001848500000000, -0.0027691200000000 ]  - [  -0.0044971200000000,  0.0008417800000000, -0.0016686800000000 ]  - [  -0.0019552300000000,  0.0000000000000000, -0.0024408100000000 ]  - [  -0.0044971200000000, -0.0008417800000000, -0.0016686800000000 ]  - [  -0.0023110600000000, -0.0000050000000000, -0.0026644500000000 ]  - [  -0.0022836500000000,  0.0000000000000000, -0.0026653600000000 ]  - [  -0.0023110600000000,  0.0000050000000000, -0.0026644500000000 ]  - [   0.0025190100000000, -0.0002235000000000,  0.0021405800000000 ]  - [   0.0022856500000000,  0.0000000000000000,  0.0023932300000000 ]  - [   0.0025190100000000,  0.0002235000000000,  0.0021405800000000 ]  - [   0.0031771200000000,  0.0073424200000000, -0.0070988600000000 ]  - [   0.0022287300000000,  0.0000000000000000,  0.0019879200000000 ]  - [   0.0031771200000000, -0.0073424200000000, -0.0070988600000000 ]  - [  -0.0003999600000000, -0.0000229500000000,  0.0028140100000000 ]  - [  -0.0008472900000000,  0.0000000000000000,  0.0026546200000000 ]  - [  -0.0003999600000000,  0.0000229500000000,  0.0028140100000000 ]  - [  -0.0012123700000000,  0.0001055600000000,  0.0009799400000000 ]  - [  -0.0010650700000000,  0.0000000000000000,  0.0013500700000000 ]  - [  -0.0012123700000000, -0.0001055600000000,  0.0009799400000000 ]  - [  -0.0020968300000000, -0.0013303500000000, -0.0068060600000000 ]  - [   0.0010399500000000,  0.0000000000000000, -0.0019305400000000 ]  - [  -0.0020968300000000,  0.0013303500000000, -0.0068060600000000 ]  - [   0.0010300600000000, -0.0000360100000000, -0.0028142800000000 ]  - [   0.0006836200000000,  0.0000000000000000, -0.0026052700000000 ]  - [   0.0010300600000000,  0.0000360100000000, -0.0028142800000000 ]  - [   0.0014138500000000,  0.0000000000000000, -0.0031458800000000 ]  - [  -0.0019754300000000,  0.0004461300000000, -0.0024595900000000 ]  - [  -0.0019754300000000, -0.0004461300000000, -0.0024595900000000 ]  - [  -0.0021154200000000,  0.0000000000000000, -0.0026358700000000 ]  - [  -0.0020270300000000, -0.0001885500000000, -0.0026716200000000 ]  - [  -0.0020270300000000,  0.0001885500000000, -0.0026716200000000 ]  - [   0.0018747300000000,  0.0000000000000000,  0.0025768800000000 ]  - [   0.0020074900000000, -0.0001038800000000,  0.0027058700000000 ]  - [   0.0020074900000000,  0.0001038800000000,  0.0027058700000000 ]  - [   0.0018766000000000,  0.0000000000000000,  0.0027765100000000 ]  - [   0.0020918800000000, -0.0000010700000000,  0.0025994000000000 ]  - [   0.0020918800000000,  0.0000010700000000,  0.0025994000000000 ]- atom:   85  displacement:    [   0.0099998577487433,  0.0000000000000000,  0.0000533385873285 ]  forces:  - [   0.0050817500000000,  0.0029363500000000, -0.0044242700000000 ]  - [   0.0050817500000000, -0.0029363500000000, -0.0044242700000000 ]  - [   0.0002480300000000,  0.0000000000000000, -0.0007073000000000 ]  - [   0.0001159200000000, -0.0000228000000000, -0.0004430900000000 ]  - [   0.0001159200000000,  0.0000228000000000, -0.0004430900000000 ]  - [   0.0001269600000000,  0.0000000000000000, -0.0004378300000000 ]  - [  -0.0001274600000000, -0.0000355500000000,  0.0005108200000000 ]  - [  -0.0001274600000000,  0.0000355500000000,  0.0005108200000000 ]  - [  -0.0001356300000000,  0.0000000000000000,  0.0004524900000000 ]  - [  -0.0003167800000000, -0.0004023400000000,  0.0003511600000000 ]  - [  -0.0003167800000000,  0.0004023400000000,  0.0003511600000000 ]  - [  -0.0001761400000000,  0.0000000000000000,  0.0009357100000000 ]  - [   0.0008611100000000,  0.0000000000000000,  0.0021007300000000 ]  - [   0.0008679600000000, -0.0000094000000000,  0.0021391400000000 ]  - [   0.0008679600000000,  0.0000094000000000,  0.0021391400000000 ]  - [   0.0003712600000000,  0.0000000000000000,  0.0023139000000000 ]  - [   0.0003167500000000,  0.0000789200000000,  0.0022731700000000 ]  - [   0.0003167500000000, -0.0000789200000000,  0.0022731700000000 ]  - [  -0.0030687500000000,  0.0000000000000000, -0.0029497900000000 ]  - [  -0.0006126000000000,  0.0002788000000000, -0.0021378700000000 ]  - [  -0.0006126000000000, -0.0002788000000000, -0.0021378700000000 ]  - [  -0.0008447300000000,  0.0000000000000000, -0.0020732600000000 ]  - [  -0.0008564600000000, -0.0000172900000000, -0.0021263200000000 ]  - [  -0.0008564600000000,  0.0000172900000000, -0.0021263200000000 ]  - [  -0.0009971700000000,  0.0000000000000000,  0.0023921100000000 ]  - [  -0.0008478700000000,  0.0000076100000000,  0.0016150700000000 ]  - [  -0.0008478700000000, -0.0000076100000000,  0.0016150700000000 ]  - [  -0.0008658900000000,  0.0000000000000000,  0.0020319700000000 ]  - [  -0.0010672600000000, -0.0001868000000000,  0.0020217900000000 ]  - [  -0.0010672600000000,  0.0001868000000000,  0.0020217900000000 ]  - [   0.0010770200000000,  0.0000000000000000, -0.0016420900000000 ]  - [   0.0012573900000000,  0.0001680500000000, -0.0018373700000000 ]  - [   0.0012573900000000, -0.0001680500000000, -0.0018373700000000 ]  - [   0.0007999400000000,  0.0000000000000000, -0.0016975300000000 ]  - [   0.0008601500000000, -0.0000007400000000, -0.0015989100000000 ]  - [   0.0008601500000000,  0.0000007400000000, -0.0015989100000000 ]  - [  -0.0003089400000000,  0.0000000000000000, -0.0004245800000000 ]  - [   0.0000895100000000,  0.0001221300000000, -0.0003559800000000 ]  - [   0.0000895100000000, -0.0001221300000000, -0.0003559800000000 ]  - [   0.0003346000000000,  0.0000000000000000, -0.0005292200000000 ]  - [   0.0003071800000000, -0.0000197900000000, -0.0004928700000000 ]  - [   0.0003071800000000,  0.0000197900000000, -0.0004928700000000 ]  - [  -0.0003159200000000,  0.0000000000000000,  0.0004713900000000 ]  - [  -0.0003076100000000, -0.0000282700000000,  0.0004780300000000 ]  - [  -0.0003076100000000,  0.0000282700000000,  0.0004780300000000 ]  - [  -0.0007815800000000,  0.0000000000000000,  0.0000833900000000 ]  - [  -0.0001475500000000,  0.0001150400000000,  0.0003523700000000 ]  - [  -0.0001475500000000, -0.0001150400000000,  0.0003523700000000 ]  - [   0.0006646100000000, -0.0000292800000000,  0.0022864300000000 ]  - [   0.0006646100000000,  0.0000292800000000,  0.0022864300000000 ]  - [   0.0006799100000000,  0.0000000000000000,  0.0022680300000000 ]  - [   0.0113134900000000,  0.0069458500000000,  0.0083182400000000 ]  - [   0.0113134900000000, -0.0069458500000000,  0.0083182400000000 ]  - [   0.0013601400000000,  0.0000000000000000,  0.0020086200000000 ]  - [  -0.0007194900000000,  0.0002632500000000, -0.0017352800000000 ]  - [  -0.0007194900000000, -0.0002632500000000, -0.0017352800000000 ]  - [  -0.0011638100000000,  0.0000000000000000, -0.0024866200000000 ]  - [  -0.0006774400000000, -0.0000258900000000, -0.0022734000000000 ]  - [  -0.0006774400000000,  0.0000258900000000, -0.0022734000000000 ]  - [  -0.0006818400000000,  0.0000000000000000, -0.0022660600000000 ]  - [  -0.0010906400000000,  0.0000040500000000,  0.0013291700000000 ]  - [  -0.0010906400000000, -0.0000040500000000,  0.0013291700000000 ]  - [  -0.0011081800000000,  0.0000000000000000,  0.0012806500000000 ]  - [  -0.0011015700000000, -0.0001084800000000,  0.0011843000000000 ]  - [  -0.0011015700000000,  0.0001084800000000,  0.0011843000000000 ]  - [  -0.0010020200000000,  0.0000000000000000,  0.0011956000000000 ]  - [   0.0010576700000000, -0.0001528000000000, -0.0011634900000000 ]  - [   0.0010576700000000,  0.0001528000000000, -0.0011634900000000 ]  - [   0.0009745600000000,  0.0000000000000000, -0.0012059300000000 ]  - [   0.0013727600000000,  0.0001368000000000, -0.0018906100000000 ]  - [   0.0013727600000000, -0.0001368000000000, -0.0018906100000000 ]  - [   0.0011590300000000,  0.0000000000000000, -0.0012622400000000 ]  - [   0.0027806900000000, -0.0034021600000000,  0.0067524500000000 ]  - [   0.0027806900000000,  0.0034021600000000,  0.0067524500000000 ]  - [  -0.0002656100000000,  0.0000000000000000,  0.0021843100000000 ]  - [  -0.0006865900000000,  0.0000277500000000,  0.0023568800000000 ]  - [  -0.0006865900000000, -0.0000277500000000,  0.0023568800000000 ]  - [  -0.0007130400000000,  0.0000000000000000,  0.0023078500000000 ]  - [   0.0007907100000000,  0.0002765000000000, -0.0025356900000000 ]  - [   0.0007907100000000, -0.0002765000000000, -0.0025356900000000 ]  - [   0.0007294800000000,  0.0000000000000000, -0.0023001600000000 ]  - [   0.0001130900000000, -0.0014383100000000, -0.0036028500000000 ]  - [   0.0001130900000000,  0.0014383100000000, -0.0036028500000000 ]  - [   0.0014277700000000,  0.0000000000000000, -0.0018507300000000 ]  - [  -0.0646145400000000,  0.0000000000000000, -0.0075250700000000 ]  - [  -0.0050773000000000, -0.0009838500000000, -0.0021003600000000 ]  - [  -0.0050773000000000,  0.0009838500000000, -0.0021003600000000 ]  - [  -0.0019876300000000,  0.0000000000000000, -0.0026521500000000 ]  - [  -0.0020207600000000,  0.0000025500000000, -0.0026368300000000 ]  - [  -0.0020207600000000, -0.0000025500000000, -0.0026368300000000 ]  - [   0.0020161700000000,  0.0000000000000000,  0.0026234400000000 ]  - [   0.0020360300000000, -0.0000232900000000,  0.0026210000000000 ]  - [   0.0020360300000000,  0.0000232900000000,  0.0026210000000000 ]  - [   0.0308110200000000,  0.0000000000000000, -0.0049702400000000 ]  - [   0.0013909400000000, -0.0010073300000000,  0.0027251800000000 ]  - [   0.0013909400000000,  0.0010073300000000,  0.0027251800000000 ]  - [   0.0017791600000000,  0.0000000000000000, -0.0005207600000000 ]  - [  -0.0010447700000000,  0.0000053400000000,  0.0017768600000000 ]  - [  -0.0010447700000000, -0.0000053400000000,  0.0017768600000000 ]  - [  -0.0014149400000000,  0.0000000000000000,  0.0017290800000000 ]  - [  -0.0011266400000000, -0.0001052100000000,  0.0017910200000000 ]  - [  -0.0011266400000000,  0.0001052100000000,  0.0017910200000000 ]  - [   0.0011779300000000,  0.0000000000000000, -0.0015877900000000 ]  - [   0.0009972800000000,  0.0000928200000000, -0.0018419700000000 ]  - [   0.0009972800000000, -0.0000928200000000, -0.0018419700000000 ]  - [   0.0012839200000000,  0.0000000000000000, -0.0015305000000000 ]  - [   0.0009553700000000, -0.0000061000000000, -0.0019582700000000 ]  - [   0.0009553700000000,  0.0000061000000000, -0.0019582700000000 ]  - [  -0.0018134700000000,  0.0001978500000000, -0.0027472700000000 ]  - [  -0.0018134700000000, -0.0001978500000000, -0.0027472700000000 ]  - [  -0.0016705700000000,  0.0000000000000000, -0.0026638400000000 ]  - [  -0.0022799900000000, -0.0000006100000000, -0.0025218700000000 ]  - [  -0.0022799900000000,  0.0000006100000000, -0.0025218700000000 ]  - [  -0.0022817300000000,  0.0000000000000000, -0.0025235100000000 ]  - [   0.0022582400000000, -0.0000229500000000,  0.0025149700000000 ]  - [   0.0022582400000000,  0.0000229500000000,  0.0025149700000000 ]  - [   0.0022630200000000,  0.0000000000000000,  0.0025121900000000 ]  - [   0.0039437100000000,  0.0025160700000000,  0.0040987600000000 ]  - [   0.0039437100000000, -0.0025160700000000,  0.0040987600000000 ]  - [   0.0016197500000000,  0.0000000000000000,  0.0027712100000000 ]- atom:   85  displacement:    [  -0.0099998577487433,  0.0000000000000000, -0.0000533385873285 ]  forces:  - [  -0.0046392000000000, -0.0029670200000000,  0.0034626500000000 ]  - [  -0.0046392000000000,  0.0029670200000000,  0.0034626500000000 ]  - [   0.0001917600000000,  0.0000000000000000, -0.0002393400000000 ]  - [   0.0003248300000000, -0.0000138900000000, -0.0005035800000000 ]  - [   0.0003248300000000,  0.0000138900000000, -0.0005035800000000 ]  - [   0.0003125600000000,  0.0000000000000000, -0.0004987700000000 ]  - [  -0.0003141000000000, -0.0000011700000000,  0.0004368500000000 ]  - [  -0.0003141000000000,  0.0000011700000000,  0.0004368500000000 ]  - [  -0.0003044400000000,  0.0000000000000000,  0.0004852000000000 ]  - [  -0.0001299100000000,  0.0003537400000000,  0.0005854200000000 ]  - [  -0.0001299100000000, -0.0003537400000000,  0.0005854200000000 ]  - [  -0.0002670300000000,  0.0000000000000000, -0.0000029900000000 ]  - [   0.0006887100000000,  0.0000000000000000,  0.0023274700000000 ]  - [   0.0006836600000000, -0.0000416900000000,  0.0022907600000000 ]  - [   0.0006836600000000,  0.0000416900000000,  0.0022907600000000 ]  - [   0.0011745400000000,  0.0000000000000000,  0.0021187500000000 ]  - [   0.0012387500000000, -0.0001293000000000,  0.0021546500000000 ]  - [   0.0012387500000000,  0.0001293000000000,  0.0021546500000000 ]  - [   0.0012709600000000,  0.0000000000000000, -0.0014070600000000 ]  - [  -0.0009418100000000, -0.0003297500000000, -0.0022909500000000 ]  - [  -0.0009418100000000,  0.0003297500000000, -0.0022909500000000 ]  - [  -0.0007047900000000,  0.0000000000000000, -0.0023541800000000 ]  - [  -0.0006945800000000, -0.0000335900000000, -0.0023018700000000 ]  - [  -0.0006945800000000,  0.0000335900000000, -0.0023018700000000 ]  - [  -0.0009858700000000,  0.0000000000000000,  0.0005357700000000 ]  - [  -0.0011397800000000, -0.0000512700000000,  0.0013263200000000 ]  - [  -0.0011397800000000,  0.0000512700000000,  0.0013263200000000 ]  - [  -0.0011155800000000,  0.0000000000000000,  0.0009074900000000 ]  - [  -0.0009203200000000,  0.0001400600000000,  0.0009256100000000 ]  - [  -0.0009203200000000, -0.0001400600000000,  0.0009256100000000 ]  - [   0.0009011200000000,  0.0000000000000000, -0.0012975400000000 ]  - [   0.0007282600000000, -0.0002011000000000, -0.0010958400000000 ]  - [   0.0007282600000000,  0.0002011000000000, -0.0010958400000000 ]  - [   0.0011842900000000,  0.0000000000000000, -0.0012372000000000 ]  - [   0.0011268200000000, -0.0000430000000000, -0.0013417000000000 ]  - [   0.0011268200000000,  0.0000430000000000, -0.0013417000000000 ]  - [   0.0007545700000000,  0.0000000000000000, -0.0005136700000000 ]  - [   0.0003535100000000, -0.0001591900000000, -0.0005920400000000 ]  - [   0.0003535100000000,  0.0001591900000000, -0.0005920400000000 ]  - [   0.0001048600000000,  0.0000000000000000, -0.0004070500000000 ]  - [   0.0001333700000000, -0.0000168600000000, -0.0004531700000000 ]  - [   0.0001333700000000,  0.0000168600000000, -0.0004531700000000 ]  - [  -0.0001231000000000,  0.0000000000000000,  0.0004659500000000 ]  - [  -0.0001319400000000, -0.0000081700000000,  0.0004695600000000 ]  - [  -0.0001319400000000,  0.0000081700000000,  0.0004695600000000 ]  - [   0.0003457600000000,  0.0000000000000000,  0.0008582900000000 ]  - [  -0.0002983100000000, -0.0001488500000000,  0.0005943900000000 ]  - [  -0.0002983100000000,  0.0001488500000000,  0.0005943900000000 ]  - [   0.0008874200000000, -0.0000215000000000,  0.0021422100000000 ]  - [   0.0008874200000000,  0.0000215000000000,  0.0021422100000000 ]  - [   0.0008704100000000,  0.0000000000000000,  0.0021600700000000 ]  - [  -0.0098637700000000, -0.0072152800000000, -0.0040492700000000 ]  - [  -0.0098637700000000,  0.0072152800000000, -0.0040492700000000 ]  - [   0.0001920800000000,  0.0000000000000000,  0.0024232500000000 ]  - [  -0.0008191400000000, -0.0003360900000000, -0.0027011700000000 ]  - [  -0.0008191400000000,  0.0003360900000000, -0.0027011700000000 ]  - [  -0.0003868300000000,  0.0000000000000000, -0.0019413400000000 ]  - [  -0.0008744500000000, -0.0000249000000000, -0.0021548500000000 ]  - [  -0.0008744500000000,  0.0000249000000000, -0.0021548500000000 ]  - [  -0.0008684900000000,  0.0000000000000000, -0.0021617100000000 ]  - [  -0.0008967500000000, -0.0000509200000000,  0.0016163200000000 ]  - [  -0.0008967500000000,  0.0000509200000000,  0.0016163200000000 ]  - [  -0.0008741300000000,  0.0000000000000000,  0.0016552500000000 ]  - [  -0.0008830800000000,  0.0000653200000000,  0.0017590800000000 ]  - [  -0.0008830800000000, -0.0000653200000000,  0.0017590800000000 ]  - [  -0.0009808100000000,  0.0000000000000000,  0.0017414800000000 ]  - [   0.0009275600000000,  0.0001090500000000, -0.0017800000000000 ]  - [   0.0009275600000000, -0.0001090500000000, -0.0017800000000000 ]  - [   0.0010082800000000,  0.0000000000000000, -0.0017321600000000 ]  - [   0.0006138900000000, -0.0001796900000000, -0.0010491200000000 ]  - [   0.0006138900000000,  0.0001796900000000, -0.0010491200000000 ]  - [   0.0008244300000000,  0.0000000000000000, -0.0016714800000000 ]  - [  -0.0043943500000000,  0.0033844100000000, -0.0025086900000000 ]  - [  -0.0043943500000000, -0.0033844100000000, -0.0025086900000000 ]  - [  -0.0014441800000000,  0.0000000000000000,  0.0020161600000000 ]  - [  -0.0010210900000000, -0.0000240600000000,  0.0018337300000000 ]  - [  -0.0010210900000000,  0.0000240600000000,  0.0018337300000000 ]  - [  -0.0009956400000000,  0.0000000000000000,  0.0018835800000000 ]  - [   0.0009184200000000, -0.0002748000000000, -0.0016554800000000 ]  - [   0.0009184200000000,  0.0002748000000000, -0.0016554800000000 ]  - [   0.0009816200000000,  0.0000000000000000, -0.0018913600000000 ]  - [   0.0016005700000000,  0.0014473500000000, -0.0006008100000000 ]  - [   0.0016005700000000, -0.0014473500000000, -0.0006008100000000 ]  - [   0.0002772200000000,  0.0000000000000000, -0.0023469300000000 ]  - [   0.0599877900000000,  0.0000000000000000,  0.0026623900000000 ]  - [   0.0007553100000000,  0.0009447800000000, -0.0030322000000000 ]  - [   0.0007553100000000, -0.0009447800000000, -0.0030322000000000 ]  - [  -0.0023315700000000,  0.0000000000000000, -0.0024987100000000 ]  - [  -0.0023015400000000, -0.0000001200000000, -0.0025139600000000 ]  - [  -0.0023015400000000,  0.0000001200000000, -0.0025139600000000 ]  - [   0.0023031600000000,  0.0000000000000000,  0.0025260300000000 ]  - [   0.0022868400000000,  0.0000258700000000,  0.0025287900000000 ]  - [   0.0022868400000000, -0.0000258700000000,  0.0025287900000000 ]  - [  -0.0259204200000000,  0.0000000000000000,  0.0100158500000000 ]  - [   0.0029489000000000,  0.0009800800000000,  0.0024332600000000 ]  - [   0.0029489000000000, -0.0009800800000000,  0.0024332600000000 ]  - [  -0.0035087100000000,  0.0000000000000000,  0.0047284300000000 ]  - [  -0.0006595700000000, -0.0000019800000000,  0.0024191800000000 ]  - [  -0.0006595700000000,  0.0000019800000000,  0.0024191800000000 ]  - [  -0.0002953600000000,  0.0000000000000000,  0.0024589700000000 ]  - [  -0.0005825300000000,  0.0001093000000000,  0.0023979500000000 ]  - [  -0.0005825300000000, -0.0001093000000000,  0.0023979500000000 ]  - [   0.0005307700000000,  0.0000000000000000, -0.0026101500000000 ]  - [   0.0007070400000000, -0.0000909400000000, -0.0023548100000000 ]  - [   0.0007070400000000,  0.0000909400000000, -0.0023548100000000 ]  - [   0.0004195700000000,  0.0000000000000000, -0.0026688100000000 ]  - [   0.0007533100000000,  0.0000101000000000, -0.0022345100000000 ]  - [   0.0007533100000000, -0.0000101000000000, -0.0022345100000000 ]  - [  -0.0025242100000000, -0.0001968200000000, -0.0024014000000000 ]  - [  -0.0025242100000000,  0.0001968200000000, -0.0024014000000000 ]  - [  -0.0026506000000000,  0.0000000000000000, -0.0024858000000000 ]  - [  -0.0020419400000000,  0.0000027400000000, -0.0026292200000000 ]  - [  -0.0020419400000000, -0.0000027400000000, -0.0026292200000000 ]  - [  -0.0020365000000000,  0.0000000000000000, -0.0026278700000000 ]  - [   0.0020635700000000,  0.0000258300000000,  0.0026358200000000 ]  - [   0.0020635700000000, -0.0000258300000000,  0.0026358200000000 ]  - [   0.0020554200000000,  0.0000000000000000,  0.0026385900000000 ]  - [   0.0003765500000000, -0.0025368100000000,  0.0010362000000000 ]  - [   0.0003765500000000,  0.0025368100000000,  0.0010362000000000 ]  - [   0.0027018300000000,  0.0000000000000000,  0.0023769000000000 ]- atom:   85  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0047789100000000,  0.0144048300000000, -0.0148798400000000 ]  - [  -0.0044296300000000,  0.0148898100000000,  0.0145086600000000 ]  - [   0.0002202500000000, -0.0006275200000000, -0.0004620000000000 ]  - [   0.0002159400000000,  0.0000079600000000, -0.0004811700000000 ]  - [   0.0002216000000000,  0.0000446000000000, -0.0004649000000000 ]  - [   0.0002183800000000, -0.0000518800000000, -0.0004682000000000 ]  - [  -0.0002989200000000,  0.0000216100000000,  0.0005969000000000 ]  - [  -0.0001381400000000,  0.0000581700000000,  0.0003481500000000 ]  - [  -0.0002182700000000, -0.0000790600000000,  0.0004680500000000 ]  - [  -0.0002430000000000,  0.0002286900000000,  0.0000980400000000 ]  - [  -0.0001925300000000,  0.0002680100000000,  0.0008526900000000 ]  - [  -0.0002184800000000, -0.0006160100000000,  0.0004685400000000 ]  - [   0.0007744500000000, -0.0000375800000000,  0.0022134500000000 ]  - [   0.0007672500000000, -0.0000064600000000,  0.0021735900000000 ]  - [   0.0007834900000000,  0.0000445200000000,  0.0022565200000000 ]  - [   0.0007753100000000,  0.0000189800000000,  0.0022140800000000 ]  - [   0.0006837900000000, -0.0000436700000000,  0.0022392400000000 ]  - [   0.0008679500000000,  0.0000072800000000,  0.0021907000000000 ]  - [  -0.0007809700000000,  0.0013294500000000, -0.0022124400000000 ]  - [   0.0002632400000000, -0.0004698400000000, -0.0023549100000000 ]  - [  -0.0018113400000000, -0.0004150800000000, -0.0020750100000000 ]  - [  -0.0007746600000000, -0.0000342000000000, -0.0022143800000000 ]  - [  -0.0007865700000000, -0.0000131700000000, -0.0022028600000000 ]  - [  -0.0007644000000000,  0.0000378100000000, -0.0022276100000000 ]  - [  -0.0009899300000000,  0.0001641400000000,  0.0014672200000000 ]  - [  -0.0007986100000000, -0.0001116400000000,  0.0012327000000000 ]  - [  -0.0011863100000000, -0.0000671200000000,  0.0017063600000000 ]  - [  -0.0009909600000000,  0.0001805200000000,  0.0014675900000000 ]  - [  -0.0007336400000000,  0.0002137700000000,  0.0013494100000000 ]  - [  -0.0012513800000000,  0.0002588200000000,  0.0015864700000000 ]  - [   0.0009827900000000,  0.0008549400000000, -0.0014805800000000 ]  - [   0.0002871200000000, -0.0003784500000000, -0.0016546900000000 ]  - [   0.0016999700000000, -0.0003329000000000, -0.0012840400000000 ]  - [   0.0009909600000000, -0.0000205500000000, -0.0014672200000000 ]  - [   0.0010122300000000, -0.0000098600000000, -0.0014240400000000 ]  - [   0.0009736600000000,  0.0000339500000000, -0.0015158700000000 ]  - [   0.0002183000000000,  0.0001040800000000, -0.0004678900000000 ]  - [   0.0002627600000000, -0.0000459600000000, -0.0004533100000000 ]  - [   0.0001759700000000, -0.0000089500000000, -0.0004920600000000 ]  - [   0.0002180900000000,  0.0000084400000000, -0.0004680900000000 ]  - [   0.0002251900000000, -0.0000240400000000, -0.0004397600000000 ]  - [   0.0002121100000000,  0.0000130600000000, -0.0005058900000000 ]  - [  -0.0002185900000000, -0.0000127000000000,  0.0004681100000000 ]  - [  -0.0002390900000000, -0.0000181400000000,  0.0004677700000000 ]  - [  -0.0001981600000000,  0.0000188300000000,  0.0004783700000000 ]  - [  -0.0002168300000000,  0.0004312000000000,  0.0004672900000000 ]  - [   0.0002577900000000, -0.0002993000000000,  0.0004729900000000 ]  - [  -0.0006969900000000, -0.0002626800000000,  0.0004732400000000 ]  - [   0.0007644600000000,  0.0000056800000000,  0.0022262100000000 ]  - [   0.0007864800000000,  0.0000563700000000,  0.0022036600000000 ]  - [   0.0007745600000000, -0.0000636000000000,  0.0022146200000000 ]  - [   0.0084810600000000,  0.0125821000000000,  0.0113135300000000 ]  - [  -0.0072254900000000,  0.0130121300000000, -0.0072851900000000 ]  - [   0.0007731500000000, -0.0003427500000000,  0.0022103900000000 ]  - [  -0.0003153600000000,  0.0001839600000000, -0.0019847500000000 ]  - [  -0.0012367800000000,  0.0002355300000000, -0.0024505100000000 ]  - [  -0.0007736400000000, -0.0007935100000000, -0.0022153200000000 ]  - [  -0.0007877200000000,  0.0000070400000000, -0.0022041300000000 ]  - [  -0.0007627400000000,  0.0000577500000000, -0.0022260200000000 ]  - [  -0.0007745600000000, -0.0000638700000000, -0.0022146300000000 ]  - [  -0.0009498100000000, -0.0000002000000000,  0.0015645800000000 ]  - [  -0.0010340200000000,  0.0000423400000000,  0.0013765200000000 ]  - [  -0.0009903400000000, -0.0001646600000000,  0.0014681000000000 ]  - [  -0.0010475800000000,  0.0000494300000000,  0.0014595500000000 ]  - [  -0.0009374200000000,  0.0000932300000000,  0.0014795000000000 ]  - [  -0.0009910400000000, -0.0001451600000000,  0.0014667800000000 ]  - [   0.0010135900000000,  0.0000645100000000, -0.0014675800000000 ]  - [   0.0009720000000000,  0.0001086000000000, -0.0014714600000000 ]  - [   0.0009911400000000, -0.0001562300000000, -0.0014669900000000 ]  - [   0.0010977000000000,  0.0000253600000000, -0.0025373300000000 ]  - [   0.0008876300000000,  0.0000646200000000, -0.0003981500000000 ]  - [   0.0009909900000000, -0.0001588100000000, -0.0014686800000000 ]  - [  -0.0087331500000000,  0.0037635600000000, -0.0031933800000000 ]  - [   0.0070936300000000,  0.0038339900000000,  0.0074465700000000 ]  - [  -0.0008555300000000,  0.0005352400000000,  0.0020972700000000 ]  - [  -0.0008356000000000, -0.0000129900000000,  0.0021141100000000 ]  - [  -0.0008706200000000, -0.0000167900000000,  0.0020775900000000 ]  - [  -0.0008539100000000,  0.0000307400000000,  0.0020960600000000 ]  - [   0.0010536700000000, -0.0001567500000000, -0.0022444600000000 ]  - [   0.0006520400000000, -0.0001600500000000, -0.0019461400000000 ]  - [   0.0008545300000000,  0.0003101600000000, -0.0020950300000000 ]  - [  -0.0020635700000000,  0.0033413100000000,  0.0045874600000000 ]  - [   0.0037942000000000,  0.0034117100000000, -0.0088474200000000 ]  - [   0.0008521300000000,  0.0000629600000000, -0.0020952200000000 ]  - [  -0.0018589200000000, -0.0946614900000000, -0.0027248100000000 ]  - [  -0.0011889700000000,  0.0122496500000000, -0.0039869300000000 ]  - [  -0.0031295600000000,  0.0120687700000000, -0.0011733200000000 ]  - [  -0.0021590700000000, -0.0000177100000000, -0.0025753500000000 ]  - [  -0.0021637400000000,  0.0000115400000000, -0.0025781200000000 ]  - [  -0.0021580200000000,  0.0000087000000000, -0.0025720100000000 ]  - [   0.0021586600000000, -0.0001818500000000,  0.0025757700000000 ]  - [   0.0021376600000000,  0.0000920200000000,  0.0026456900000000 ]  - [   0.0021840200000000,  0.0000886300000000,  0.0025049000000000 ]  - [   0.0021773400000000, -0.0002129800000000,  0.0025688700000000 ]  - [   0.0011576600000000,  0.0004327700000000,  0.0025753800000000 ]  - [   0.0031417700000000,  0.0004379500000000,  0.0025829400000000 ]  - [  -0.0008520800000000,  0.0002693100000000,  0.0020906500000000 ]  - [  -0.0013879300000000, -0.0000121400000000,  0.0023139100000000 ]  - [  -0.0003200700000000, -0.0000163300000000,  0.0018783100000000 ]  - [  -0.0008546000000000, -0.0005528700000000,  0.0020939400000000 ]  - [  -0.0007803600000000,  0.0003063200000000,  0.0019228300000000 ]  - [  -0.0009250000000000,  0.0002996800000000,  0.0022696500000000 ]  - [   0.0008577400000000, -0.0000825600000000, -0.0020934700000000 ]  - [   0.0010599000000000,  0.0000528800000000, -0.0018677700000000 ]  - [   0.0006455400000000,  0.0000491300000000, -0.0023261500000000 ]  - [   0.0008530400000000, -0.0001141800000000, -0.0020943200000000 ]  - [   0.0006119100000000,  0.0000509200000000, -0.0022307100000000 ]  - [   0.0010947100000000,  0.0000474200000000, -0.0019597800000000 ]  - [  -0.0023612600000000, -0.0000248600000000, -0.0025073100000000 ]  - [  -0.0019622800000000, -0.0000274600000000, -0.0026446200000000 ]  - [  -0.0021603700000000,  0.0001443000000000, -0.0025753900000000 ]  - [  -0.0021608700000000, -0.0000458000000000, -0.0025869000000000 ]  - [  -0.0021609900000000, -0.0000473200000000, -0.0025634600000000 ]  - [  -0.0021591200000000,  0.0000861800000000, -0.0025753200000000 ]  - [   0.0021384100000000, -0.0000116100000000,  0.0025899100000000 ]  - [   0.0021840600000000, -0.0000137300000000,  0.0025604000000000 ]  - [   0.0021593400000000,  0.0000306100000000,  0.0025753400000000 ]  - [   0.0046890900000000, -0.0005089800000000,  0.0020556200000000 ]  - [  -0.0003727000000000, -0.0005151200000000,  0.0030985300000000 ]  - [   0.0021608700000000,  0.0010205600000000,  0.0025736200000000 ]- atom:   85  displacement:    [  -0.0048210325901584,  0.0000000000000000,  0.0087611440328664 ]  forces:  - [  -0.0076697800000000, -0.0122205300000000,  0.0183096400000000 ]  - [  -0.0076697800000000,  0.0122205300000000,  0.0183096400000000 ]  - [  -0.0002396600000000,  0.0000000000000000, -0.0001494000000000 ]  - [   0.0002769700000000, -0.0000115100000000, -0.0005148300000000 ]  - [   0.0002769700000000,  0.0000115100000000, -0.0005148300000000 ]  - [   0.0002686300000000,  0.0000000000000000, -0.0005092000000000 ]  - [  -0.0002150300000000,  0.0000102900000000,  0.0003123700000000 ]  - [  -0.0002150300000000, -0.0000102900000000,  0.0003123700000000 ]  - [  -0.0002640100000000,  0.0000000000000000,  0.0004292400000000 ]  - [  -0.0003778300000000,  0.0000328800000000,  0.0010691100000000 ]  - [  -0.0003778300000000, -0.0000328800000000,  0.0010691100000000 ]  - [  -0.0002068800000000,  0.0000000000000000,  0.0000523200000000 ]  - [   0.0006819500000000,  0.0000000000000000,  0.0023153600000000 ]  - [   0.0006859600000000, -0.0000269200000000,  0.0022535200000000 ]  - [   0.0006859600000000,  0.0000269200000000,  0.0022535200000000 ]  - [   0.0009954100000000,  0.0000000000000000,  0.0021728100000000 ]  - [   0.0010558900000000, -0.0000922100000000,  0.0021788100000000 ]  - [   0.0010558900000000,  0.0000922100000000,  0.0021788100000000 ]  - [   0.0001548700000000,  0.0000000000000000, -0.0004012800000000 ]  - [  -0.0008479100000000, -0.0001333800000000, -0.0018248900000000 ]  - [  -0.0008479100000000,  0.0001333800000000, -0.0018248900000000 ]  - [  -0.0007031400000000,  0.0000000000000000, -0.0023128900000000 ]  - [  -0.0007037100000000, -0.0000227200000000, -0.0022510600000000 ]  - [  -0.0007037100000000,  0.0000227200000000, -0.0022510600000000 ]  - [  -0.0005586200000000,  0.0000000000000000,  0.0007454500000000 ]  - [  -0.0008656000000000, -0.0001302000000000,  0.0013713400000000 ]  - [  -0.0008656000000000,  0.0001302000000000,  0.0013713400000000 ]  - [  -0.0015520300000000,  0.0000000000000000,  0.0010916100000000 ]  - [  -0.0008121300000000, -0.0002222800000000,  0.0013267400000000 ]  - [  -0.0008121300000000,  0.0002222800000000,  0.0013267400000000 ]  - [   0.0005466100000000,  0.0000000000000000, -0.0000659700000000 ]  - [   0.0004370900000000, -0.0003996100000000, -0.0013136800000000 ]  - [   0.0004370900000000,  0.0003996100000000, -0.0013136800000000 ]  - [   0.0010595000000000,  0.0000000000000000, -0.0014392600000000 ]  - [   0.0010285000000000, -0.0000323800000000, -0.0014943000000000 ]  - [   0.0010285000000000,  0.0000323800000000, -0.0014943000000000 ]  - [   0.0005791900000000,  0.0000000000000000, -0.0005051100000000 ]  - [   0.0003276800000000, -0.0001054900000000, -0.0005297900000000 ]  - [   0.0003276800000000,  0.0001054900000000, -0.0005297900000000 ]  - [   0.0001126600000000,  0.0000000000000000, -0.0004917500000000 ]  - [   0.0001685300000000, -0.0000182500000000, -0.0004852600000000 ]  - [   0.0001685300000000,  0.0000182500000000, -0.0004852600000000 ]  - [  -0.0001299000000000,  0.0000000000000000,  0.0004907400000000 ]  - [  -0.0001678900000000, -0.0000143400000000,  0.0004707500000000 ]  - [  -0.0001678900000000,  0.0000143400000000,  0.0004707500000000 ]  - [  -0.0004156900000000,  0.0000000000000000,  0.0007546900000000 ]  - [  -0.0006166800000000,  0.0000563600000000,  0.0005427600000000 ]  - [  -0.0006166800000000, -0.0000563600000000,  0.0005427600000000 ]  - [   0.0009051600000000, -0.0000226300000000,  0.0021629900000000 ]  - [   0.0009051600000000,  0.0000226300000000,  0.0021629900000000 ]  - [   0.0008784100000000,  0.0000000000000000,  0.0021800800000000 ]  - [   0.0020341500000000,  0.0041753700000000,  0.0079517700000000 ]  - [   0.0020341500000000, -0.0041753700000000,  0.0079517700000000 ]  - [   0.0007684300000000,  0.0000000000000000,  0.0023974100000000 ]  - [  -0.0005073100000000,  0.0002121100000000, -0.0020486900000000 ]  - [  -0.0005073100000000, -0.0002121100000000, -0.0020486900000000 ]  - [  -0.0006187300000000,  0.0000000000000000, -0.0020768300000000 ]  - [  -0.0008781500000000, -0.0000252200000000, -0.0022156500000000 ]  - [  -0.0008781500000000,  0.0000252200000000, -0.0022156500000000 ]  - [  -0.0008746700000000,  0.0000000000000000, -0.0022057200000000 ]  - [  -0.0007829200000000,  0.0000632900000000,  0.0016666300000000 ]  - [  -0.0007829200000000, -0.0000632900000000,  0.0016666300000000 ]  - [  -0.0009659800000000,  0.0000000000000000,  0.0016979800000000 ]  - [  -0.0010032700000000,  0.0000071200000000,  0.0015288100000000 ]  - [  -0.0010032700000000, -0.0000071200000000,  0.0015288100000000 ]  - [  -0.0010459100000000,  0.0000000000000000,  0.0015267700000000 ]  - [   0.0010664800000000,  0.0000714700000000, -0.0015206000000000 ]  - [   0.0010664800000000, -0.0000714700000000, -0.0015206000000000 ]  - [   0.0010893000000000,  0.0000000000000000, -0.0014969800000000 ]  - [   0.0010143300000000,  0.0000048500000000, -0.0016137400000000 ]  - [   0.0010143300000000, -0.0000048500000000, -0.0016137400000000 ]  - [   0.0009554800000000,  0.0000000000000000, -0.0016786200000000 ]  - [   0.0045420900000000, -0.0018547000000000,  0.0028664200000000 ]  - [   0.0045420900000000,  0.0018547000000000,  0.0028664200000000 ]  - [  -0.0010247500000000,  0.0000000000000000,  0.0019767500000000 ]  - [  -0.0008664100000000, -0.0000135900000000,  0.0020939700000000 ]  - [  -0.0008664100000000,  0.0000135900000000,  0.0020939700000000 ]  - [  -0.0008633900000000,  0.0000000000000000,  0.0021126600000000 ]  - [   0.0006162500000000, -0.0003079900000000, -0.0015863200000000 ]  - [   0.0006162500000000,  0.0003079900000000, -0.0015863200000000 ]  - [   0.0008161300000000,  0.0000000000000000, -0.0018637700000000 ]  - [  -0.0024341300000000,  0.0041730300000000,  0.0061323300000000 ]  - [  -0.0024341300000000, -0.0041730300000000,  0.0061323300000000 ]  - [   0.0003022300000000,  0.0000000000000000, -0.0017779200000000 ]  - [   0.0237332500000000,  0.0000000000000000, -0.0739200100000000 ]  - [  -0.0003304400000000,  0.0016935600000000, -0.0066049800000000 ]  - [  -0.0003304400000000, -0.0016935600000000, -0.0066049800000000 ]  - [  -0.0023148700000000,  0.0000000000000000, -0.0025533300000000 ]  - [  -0.0022875100000000,  0.0000031300000000, -0.0025514500000000 ]  - [  -0.0022875100000000, -0.0000031300000000, -0.0025514500000000 ]  - [   0.0022747300000000,  0.0000000000000000,  0.0026946200000000 ]  - [   0.0022661900000000,  0.0000753700000000,  0.0026335200000000 ]  - [   0.0022661900000000, -0.0000753700000000,  0.0026335200000000 ]  - [  -0.0179627500000000,  0.0000000000000000,  0.0091234000000000 ]  - [   0.0026656100000000,  0.0004716800000000,  0.0034057000000000 ]  - [   0.0026656100000000, -0.0004716800000000,  0.0034057000000000 ]  - [  -0.0028119300000000,  0.0000000000000000,  0.0035466000000000 ]  - [  -0.0009343300000000,  0.0000323900000000,  0.0020349100000000 ]  - [  -0.0009343300000000, -0.0000323900000000,  0.0020349100000000 ]  - [  -0.0006134700000000,  0.0000000000000000,  0.0023197800000000 ]  - [  -0.0008087000000000,  0.0000201100000000,  0.0022922700000000 ]  - [  -0.0008087000000000, -0.0000201100000000,  0.0022922700000000 ]  - [   0.0008433300000000,  0.0000000000000000, -0.0022579000000000 ]  - [   0.0009016700000000, -0.0001082200000000, -0.0022807400000000 ]  - [   0.0009016700000000,  0.0001082200000000, -0.0022807400000000 ]  - [   0.0009181400000000,  0.0000000000000000, -0.0024197600000000 ]  - [   0.0009792000000000, -0.0000107600000000, -0.0020874500000000 ]  - [   0.0009792000000000,  0.0000107600000000, -0.0020874500000000 ]  - [  -0.0024900600000000, -0.0001548500000000, -0.0023721800000000 ]  - [  -0.0024900600000000,  0.0001548500000000, -0.0023721800000000 ]  - [  -0.0024784600000000,  0.0000000000000000, -0.0025136100000000 ]  - [  -0.0020606900000000,  0.0000125900000000, -0.0025664100000000 ]  - [  -0.0020606900000000, -0.0000125900000000, -0.0025664100000000 ]  - [  -0.0020582800000000,  0.0000000000000000, -0.0025678600000000 ]  - [   0.0020652100000000,  0.0000265800000000,  0.0025864200000000 ]  - [   0.0020652100000000, -0.0000265800000000,  0.0025864200000000 ]  - [   0.0020575600000000,  0.0000000000000000,  0.0026055300000000 ]  - [   0.0026576000000000, -0.0016758700000000,  0.0010535100000000 ]  - [   0.0026576000000000,  0.0016758700000000,  0.0010535100000000 ]  - [   0.0025991800000000,  0.0000000000000000,  0.0022088700000000 ]- atom:   85  displacement:    [   0.0048210325901584,  0.0000000000000000, -0.0087611440328664 ]  forces:  - [   0.0080431500000000,  0.0116330600000000, -0.0188277700000000 ]  - [   0.0080431500000000, -0.0116330600000000, -0.0188277700000000 ]  - [   0.0006748300000000,  0.0000000000000000, -0.0007856600000000 ]  - [   0.0001624100000000, -0.0000253300000000, -0.0004267300000000 ]  - [   0.0001624100000000,  0.0000253300000000, -0.0004267300000000 ]  - [   0.0001692200000000,  0.0000000000000000, -0.0004219500000000 ]  - [  -0.0002223900000000, -0.0000467200000000,  0.0006258700000000 ]  - [  -0.0002223900000000,  0.0000467200000000,  0.0006258700000000 ]  - [  -0.0001726900000000,  0.0000000000000000,  0.0005005300000000 ]  - [  -0.0000482300000000, -0.0000832600000000, -0.0001221700000000 ]  - [  -0.0000482300000000,  0.0000832600000000, -0.0001221700000000 ]  - [  -0.0002317200000000,  0.0000000000000000,  0.0008801700000000 ]  - [   0.0008743300000000,  0.0000000000000000,  0.0021100300000000 ]  - [   0.0008718700000000, -0.0000237800000000,  0.0021732100000000 ]  - [   0.0008718700000000,  0.0000237800000000,  0.0021732100000000 ]  - [   0.0005568300000000,  0.0000000000000000,  0.0022607500000000 ]  - [   0.0005043500000000,  0.0000412600000000,  0.0022505600000000 ]  - [   0.0005043500000000, -0.0000412600000000,  0.0022505600000000 ]  - [  -0.0018489100000000,  0.0000000000000000, -0.0039721800000000 ]  - [  -0.0007074100000000,  0.0000805700000000, -0.0026032600000000 ]  - [  -0.0007074100000000, -0.0000805700000000, -0.0026032600000000 ]  - [  -0.0008544800000000,  0.0000000000000000, -0.0021184000000000 ]  - [  -0.0008548100000000, -0.0000281000000000, -0.0021777200000000 ]  - [  -0.0008548100000000,  0.0000281000000000, -0.0021777200000000 ]  - [  -0.0014144600000000,  0.0000000000000000,  0.0021844500000000 ]  - [  -0.0011165100000000,  0.0000854900000000,  0.0015694100000000 ]  - [  -0.0011165100000000, -0.0000854900000000,  0.0015694100000000 ]  - [  -0.0004456800000000,  0.0000000000000000,  0.0018153600000000 ]  - [  -0.0011685800000000,  0.0001814200000000,  0.0016132200000000 ]  - [  -0.0011685800000000, -0.0001814200000000,  0.0016132200000000 ]  - [   0.0014260700000000,  0.0000000000000000, -0.0028625500000000 ]  - [   0.0015463400000000,  0.0003516900000000, -0.0016327800000000 ]  - [   0.0015463400000000, -0.0003516900000000, -0.0016327800000000 ]  - [   0.0009218600000000,  0.0000000000000000, -0.0014970000000000 ]  - [   0.0009557300000000, -0.0000112400000000, -0.0014476700000000 ]  - [   0.0009557300000000,  0.0000112400000000, -0.0014476700000000 ]  - [  -0.0001427000000000,  0.0000000000000000, -0.0004263100000000 ]  - [   0.0001103900000000,  0.0000683400000000, -0.0004106300000000 ]  - [   0.0001103900000000, -0.0000683400000000, -0.0004106300000000 ]  - [   0.0003214900000000,  0.0000000000000000, -0.0004418900000000 ]  - [   0.0002685200000000, -0.0000180400000000, -0.0004562600000000 ]  - [   0.0002685200000000,  0.0000180400000000, -0.0004562600000000 ]  - [  -0.0003072400000000,  0.0000000000000000,  0.0004376200000000 ]  - [  -0.0002701800000000, -0.0000222700000000,  0.0004679400000000 ]  - [  -0.0002701800000000,  0.0000222700000000,  0.0004679400000000 ]  - [  -0.0000238300000000,  0.0000000000000000,  0.0001782900000000 ]  - [   0.0001745800000000, -0.0000911600000000,  0.0003980300000000 ]  - [   0.0001745800000000,  0.0000911600000000,  0.0003980300000000 ]  - [   0.0006549800000000, -0.0000282300000000,  0.0022636600000000 ]  - [   0.0006549800000000,  0.0000282300000000,  0.0022636600000000 ]  - [   0.0006795500000000,  0.0000000000000000,  0.0022462100000000 ]  - [  -0.0005303600000000, -0.0042676500000000, -0.0035147900000000 ]  - [  -0.0005303600000000,  0.0042676500000000, -0.0035147900000000 ]  - [   0.0007932000000000,  0.0000000000000000,  0.0020359500000000 ]  - [  -0.0010591200000000, -0.0002608100000000, -0.0023638500000000 ]  - [  -0.0010591200000000,  0.0002608100000000, -0.0023638500000000 ]  - [  -0.0009385800000000,  0.0000000000000000, -0.0023444100000000 ]  - [  -0.0006814400000000, -0.0000257000000000, -0.0022122500000000 ]  - [  -0.0006814400000000,  0.0000257000000000, -0.0022122500000000 ]  - [  -0.0006834500000000,  0.0000000000000000, -0.0022213400000000 ]  - [  -0.0012062500000000, -0.0001050700000000,  0.0012695200000000 ]  - [  -0.0012062500000000,  0.0001050700000000,  0.0012695200000000 ]  - [  -0.0010150500000000,  0.0000000000000000,  0.0012355200000000 ]  - [  -0.0009795500000000, -0.0000509600000000,  0.0014144500000000 ]  - [  -0.0009795500000000,  0.0000509600000000,  0.0014144500000000 ]  - [  -0.0009340900000000,  0.0000000000000000,  0.0014103500000000 ]  - [   0.0009171800000000, -0.0001154800000000, -0.0014212200000000 ]  - [   0.0009171800000000,  0.0001154800000000, -0.0014212200000000 ]  - [   0.0008902500000000,  0.0000000000000000, -0.0014399700000000 ]  - [   0.0009621500000000, -0.0000484300000000, -0.0013429100000000 ]  - [   0.0009621500000000,  0.0000484300000000, -0.0013429100000000 ]  - [   0.0010237100000000,  0.0000000000000000, -0.0012579600000000 ]  - [  -0.0062290500000000,  0.0018542200000000,  0.0013424500000000 ]  - [  -0.0062290500000000, -0.0018542200000000,  0.0013424500000000 ]  - [  -0.0006860500000000,  0.0000000000000000,  0.0022156200000000 ]  - [  -0.0008395700000000,  0.0000174800000000,  0.0020998600000000 ]  - [  -0.0008395700000000, -0.0000174800000000,  0.0020998600000000 ]  - [  -0.0008435000000000,  0.0000000000000000,  0.0020809700000000 ]  - [   0.0010866500000000,  0.0003086100000000, -0.0026017400000000 ]  - [   0.0010866500000000, -0.0003086100000000, -0.0026017400000000 ]  - [   0.0008907600000000,  0.0000000000000000, -0.0023265900000000 ]  - [   0.0042248600000000, -0.0042378800000000, -0.0104812300000000 ]  - [   0.0042248600000000,  0.0042378800000000, -0.0104812300000000 ]  - [   0.0014056800000000,  0.0000000000000000, -0.0024206700000000 ]  - [  -0.0281714300000000,  0.0000000000000000,  0.0683917500000000 ]  - [  -0.0039972300000000, -0.0017081300000000,  0.0014258400000000 ]  - [  -0.0039972300000000,  0.0017081300000000,  0.0014258400000000 ]  - [  -0.0020102000000000,  0.0000000000000000, -0.0025988900000000 ]  - [  -0.0020397800000000, -0.0000008900000000, -0.0026008800000000 ]  - [  -0.0020397800000000,  0.0000008900000000, -0.0026008800000000 ]  - [   0.0020480900000000,  0.0000000000000000,  0.0024613300000000 ]  - [   0.0020605400000000, -0.0000719500000000,  0.0025213700000000 ]  - [   0.0020605400000000,  0.0000719500000000,  0.0025213700000000 ]  - [   0.0225843800000000,  0.0000000000000000, -0.0041329800000000 ]  - [   0.0016629900000000, -0.0004796600000000,  0.0017236400000000 ]  - [   0.0016629900000000,  0.0004796600000000,  0.0017236400000000 ]  - [   0.0010986100000000,  0.0000000000000000,  0.0006426600000000 ]  - [  -0.0007714000000000, -0.0000289900000000,  0.0021589600000000 ]  - [  -0.0007714000000000,  0.0000289900000000,  0.0021589600000000 ]  - [  -0.0010811500000000,  0.0000000000000000,  0.0018935500000000 ]  - [  -0.0008953500000000, -0.0000215300000000,  0.0019096700000000 ]  - [  -0.0008953500000000,  0.0000215300000000,  0.0019096700000000 ]  - [   0.0008698000000000,  0.0000000000000000, -0.0019214400000000 ]  - [   0.0008057500000000,  0.0001129200000000, -0.0019060600000000 ]  - [   0.0008057500000000, -0.0001129200000000, -0.0019060600000000 ]  - [   0.0007891200000000,  0.0000000000000000, -0.0017774900000000 ]  - [   0.0007264900000000,  0.0000145400000000, -0.0021072100000000 ]  - [   0.0007264900000000, -0.0000145400000000, -0.0021072100000000 ]  - [  -0.0018375300000000,  0.0001562700000000, -0.0027817500000000 ]  - [  -0.0018375300000000, -0.0001562700000000, -0.0027817500000000 ]  - [  -0.0018445700000000,  0.0000000000000000, -0.0026410500000000 ]  - [  -0.0022649100000000, -0.0000097300000000, -0.0025870600000000 ]  - [  -0.0022649100000000,  0.0000097300000000, -0.0025870600000000 ]  - [  -0.0022635100000000,  0.0000000000000000, -0.0025861400000000 ]  - [   0.0022609500000000, -0.0000228900000000,  0.0025680000000000 ]  - [   0.0022609500000000,  0.0000228900000000,  0.0025680000000000 ]  - [   0.0022644600000000,  0.0000000000000000,  0.0025486300000000 ]  - [   0.0016735000000000,  0.0016766000000000,  0.0040925200000000 ]  - [   0.0016735000000000, -0.0016766000000000,  0.0040925200000000 ]  - [   0.0017236100000000,  0.0000000000000000,  0.0029407100000000 ]