# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/64319393-e4a9-40e2-a76a-0a995bcad604/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 Ti3N2O3 / Cmcm (63) / materials id 755054](https://mdr.nims.go.jp/datasets/e3c5ae7e-8cfb-49a1-88ac-89152f497c3f)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     1.906955330000000,    -4.857185295000000,     0.000000000000000 ] # a  - [     1.906955330000000,     4.857185295000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.797381059999999 ] # c  points:  - symbol: Ti # 1    coordinates: [  0.800083320000000,  0.199916680000000,  0.750000000000000 ]    mass: 47.867000  - symbol: Ti # 2    coordinates: [  0.856233790000000,  0.143766210000000,  0.447304200000000 ]    mass: 47.867000  - symbol: Ti # 3    coordinates: [  0.856233790000000,  0.143766210000000,  0.052695800000000 ]    mass: 47.867000  - symbol: Ti # 4    coordinates: [  0.199916680000000,  0.800083320000000,  0.250000000000000 ]    mass: 47.867000  - symbol: Ti # 5    coordinates: [  0.143766210000000,  0.856233790000000,  0.552695800000000 ]    mass: 47.867000  - symbol: Ti # 6    coordinates: [  0.143766210000000,  0.856233790000000,  0.947304200000000 ]    mass: 47.867000  - symbol: N  # 7    coordinates: [  0.692215710000000,  0.307784290000000,  0.923296300000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.692215710000000,  0.307784290000000,  0.576703700000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.307784290000000,  0.692215710000000,  0.076703700000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.307784290000000,  0.692215710000000,  0.423296300000000 ]    mass: 14.006700  - symbol: O  # 11    coordinates: [  0.751715430000000,  0.248284570000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.955232460000000,  0.044767540000000,  0.618755510000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.955232460000000,  0.044767540000000,  0.881244490000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.044767540000000,  0.955232460000000,  0.381244490000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.248284570000000,  0.751715430000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.044767540000000,  0.955232460000000,  0.118755510000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.262198066275627,    -0.102940277060194,     0.000000000000000 ] # a*  - [     0.262198066275627,     0.102940277060194,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.102068092878690 ] # c*unit_cell:  lattice:  - [     3.813910660000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.714370590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.797381059999999 ] # c  points:  - symbol: Ti # 1    coordinates: [  0.500000000000000,  0.699916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 2    coordinates: [  0.500000000000000,  0.643766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 2  - symbol: Ti # 3    coordinates: [  0.500000000000000,  0.643766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 3  - symbol: Ti # 4    coordinates: [  0.000000000000000,  0.800083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 5    coordinates: [  0.000000000000000,  0.856233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 5  - symbol: Ti # 6    coordinates: [  0.000000000000000,  0.856233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 6  - symbol: Ti # 7    coordinates: [  0.000000000000000,  0.199916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 8    coordinates: [  0.000000000000000,  0.143766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 2  - symbol: Ti # 9    coordinates: [  0.000000000000000,  0.143766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 3  - symbol: Ti # 10    coordinates: [  0.500000000000000,  0.300083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 11    coordinates: [  0.500000000000000,  0.356233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 5  - symbol: Ti # 12    coordinates: [  0.500000000000000,  0.356233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 6  - symbol: N  # 13    coordinates: [  0.500000000000000,  0.807784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.500000000000000,  0.807784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.000000000000000,  0.692215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.000000000000000,  0.692215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.000000000000000,  0.307784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 18    coordinates: [  0.000000000000000,  0.307784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 19    coordinates: [  0.500000000000000,  0.192215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 20    coordinates: [  0.500000000000000,  0.192215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 16  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.748284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.544767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.544767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.000000000000000,  0.955232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.751715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.000000000000000,  0.955232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.248284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.044767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.044767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 30    coordinates: [  0.500000000000000,  0.455232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 31    coordinates: [  0.500000000000000,  0.251715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.455232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 26supercell:  lattice:  - [    11.441731980000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.714370590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.797381059999999 ] # c  points:  - symbol: Ti # 1    coordinates: [  0.166666666666667,  0.699916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 2    coordinates: [  0.500000000000000,  0.699916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 3    coordinates: [  0.833333333333333,  0.699916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 4    coordinates: [  0.166666666666667,  0.643766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 5    coordinates: [  0.500000000000000,  0.643766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 6    coordinates: [  0.833333333333333,  0.643766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 7    coordinates: [  0.166666666666667,  0.643766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 7  - symbol: Ti # 8    coordinates: [  0.500000000000000,  0.643766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 7  - symbol: Ti # 9    coordinates: [  0.833333333333333,  0.643766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 7  - symbol: Ti # 10    coordinates: [  0.000000000000000,  0.800083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 11    coordinates: [  0.333333333333333,  0.800083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 12    coordinates: [  0.666666666666667,  0.800083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 13    coordinates: [  0.000000000000000,  0.856233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 13  - symbol: Ti # 14    coordinates: [  0.333333333333333,  0.856233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 13  - symbol: Ti # 15    coordinates: [  0.666666666666667,  0.856233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 13  - symbol: Ti # 16    coordinates: [  0.000000000000000,  0.856233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 16  - symbol: Ti # 17    coordinates: [  0.333333333333333,  0.856233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 16  - symbol: Ti # 18    coordinates: [  0.666666666666667,  0.856233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 16  - symbol: Ti # 19    coordinates: [  0.000000000000000,  0.199916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 20    coordinates: [  0.333333333333333,  0.199916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 21    coordinates: [  0.666666666666667,  0.199916680000000,  0.750000000000000 ]    mass: 47.867000    reduced_to: 1  - symbol: Ti # 22    coordinates: [  0.000000000000000,  0.143766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 23    coordinates: [  0.333333333333333,  0.143766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 24    coordinates: [  0.666666666666667,  0.143766210000000,  0.447304200000000 ]    mass: 47.867000    reduced_to: 4  - symbol: Ti # 25    coordinates: [  0.000000000000000,  0.143766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 7  - symbol: Ti # 26    coordinates: [  0.333333333333333,  0.143766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 7  - symbol: Ti # 27    coordinates: [  0.666666666666667,  0.143766210000000,  0.052695800000000 ]    mass: 47.867000    reduced_to: 7  - symbol: Ti # 28    coordinates: [  0.166666666666667,  0.300083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 29    coordinates: [  0.500000000000000,  0.300083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 30    coordinates: [  0.833333333333333,  0.300083320000000,  0.250000000000000 ]    mass: 47.867000    reduced_to: 10  - symbol: Ti # 31    coordinates: [  0.166666666666667,  0.356233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 13  - symbol: Ti # 32    coordinates: [  0.500000000000000,  0.356233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 13  - symbol: Ti # 33    coordinates: [  0.833333333333333,  0.356233790000000,  0.552695800000000 ]    mass: 47.867000    reduced_to: 13  - symbol: Ti # 34    coordinates: [  0.166666666666667,  0.356233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 16  - symbol: Ti # 35    coordinates: [  0.500000000000000,  0.356233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 16  - symbol: Ti # 36    coordinates: [  0.833333333333333,  0.356233790000000,  0.947304200000000 ]    mass: 47.867000    reduced_to: 16  - symbol: N  # 37    coordinates: [  0.166666666666667,  0.807784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.500000000000000,  0.807784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 39    coordinates: [  0.833333333333333,  0.807784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 40    coordinates: [  0.166666666666667,  0.807784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.500000000000000,  0.807784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 42    coordinates: [  0.833333333333333,  0.807784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 43    coordinates: [  0.000000000000000,  0.692215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.333333333333333,  0.692215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 45    coordinates: [  0.666666666666667,  0.692215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 46    coordinates: [  0.000000000000000,  0.692215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 47    coordinates: [  0.333333333333333,  0.692215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 48    coordinates: [  0.666666666666667,  0.692215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 49    coordinates: [  0.000000000000000,  0.307784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 50    coordinates: [  0.333333333333333,  0.307784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 51    coordinates: [  0.666666666666667,  0.307784290000000,  0.923296300000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 52    coordinates: [  0.000000000000000,  0.307784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 53    coordinates: [  0.333333333333333,  0.307784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 54    coordinates: [  0.666666666666667,  0.307784290000000,  0.576703700000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 55    coordinates: [  0.166666666666667,  0.192215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 56    coordinates: [  0.500000000000000,  0.192215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 57    coordinates: [  0.833333333333333,  0.192215710000000,  0.076703700000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 58    coordinates: [  0.166666666666667,  0.192215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 59    coordinates: [  0.500000000000000,  0.192215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 60    coordinates: [  0.833333333333333,  0.192215710000000,  0.423296300000000 ]    mass: 14.006700    reduced_to: 46  - symbol: O  # 61    coordinates: [  0.166666666666667,  0.748284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.748284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.833333333333333,  0.748284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.166666666666667,  0.544767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.500000000000000,  0.544767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 66    coordinates: [  0.833333333333333,  0.544767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 67    coordinates: [  0.166666666666667,  0.544767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.500000000000000,  0.544767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 69    coordinates: [  0.833333333333333,  0.544767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 70    coordinates: [  0.000000000000000,  0.955232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 71    coordinates: [  0.333333333333333,  0.955232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 72    coordinates: [  0.666666666666667,  0.955232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.751715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.333333333333333,  0.751715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.666666666666667,  0.751715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.000000000000000,  0.955232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 77    coordinates: [  0.333333333333333,  0.955232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 78    coordinates: [  0.666666666666667,  0.955232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.248284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 80    coordinates: [  0.333333333333333,  0.248284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 81    coordinates: [  0.666666666666667,  0.248284570000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 82    coordinates: [  0.000000000000000,  0.044767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 83    coordinates: [  0.333333333333333,  0.044767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 84    coordinates: [  0.666666666666667,  0.044767540000000,  0.618755510000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 85    coordinates: [  0.000000000000000,  0.044767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 86    coordinates: [  0.333333333333333,  0.044767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 87    coordinates: [  0.666666666666667,  0.044767540000000,  0.881244490000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 88    coordinates: [  0.166666666666667,  0.455232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 89    coordinates: [  0.500000000000000,  0.455232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 90    coordinates: [  0.833333333333333,  0.455232460000000,  0.381244490000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 91    coordinates: [  0.166666666666667,  0.251715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 92    coordinates: [  0.500000000000000,  0.251715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 93    coordinates: [  0.833333333333333,  0.251715430000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 94    coordinates: [  0.166666666666667,  0.455232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 95    coordinates: [  0.500000000000000,  0.455232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 96    coordinates: [  0.833333333333333,  0.455232460000000,  0.118755510000000 ]    mass: 15.999400    reduced_to: 76displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1547464800000000, -0.0104827000000000,  0.0000000000000000 ]  - [   0.0500685000000000, -0.0119545300000000,  0.0000000000000000 ]  - [   0.0496204600000000, -0.0059564300000000,  0.0000000000000000 ]  - [  -0.0090492800000000,  0.0085910400000000, -0.0064905400000000 ]  - [   0.0024610900000000,  0.0079981100000000, -0.0110901000000000 ]  - [   0.0024836700000000,  0.0093869700000000, -0.0021794600000000 ]  - [  -0.0090492800000000,  0.0085910400000000,  0.0064905400000000 ]  - [   0.0024610900000000,  0.0079981100000000,  0.0110901000000000 ]  - [   0.0024836700000000,  0.0093869700000000,  0.0021794600000000 ]  - [  -0.0009601200000000,  0.0101943600000000,  0.0000000000000000 ]  - [  -0.0009794700000000,  0.0076428900000000,  0.0000000000000000 ]  - [   0.0024157600000000,  0.0089294700000000,  0.0000000000000000 ]  - [  -0.0054824300000000, -0.0230993600000000,  0.0361981500000000 ]  - [  -0.0054227500000000,  0.0059570800000000, -0.0234670900000000 ]  - [   0.0103790500000000, -0.0087085000000000,  0.0066222800000000 ]  - [  -0.0054824300000000, -0.0230993600000000, -0.0361981500000000 ]  - [  -0.0054227500000000,  0.0059570800000000,  0.0234670900000000 ]  - [   0.0103790500000000, -0.0087085000000000, -0.0066222800000000 ]  - [  -0.0008743500000000, -0.0112135300000000,  0.0000000000000000 ]  - [  -0.0008968000000000, -0.0066098100000000,  0.0000000000000000 ]  - [   0.0017436600000000, -0.0089154000000000,  0.0000000000000000 ]  - [  -0.0010215700000000,  0.0062302100000000, -0.0056861100000000 ]  - [  -0.0010373400000000,  0.0112264600000000, -0.0075244400000000 ]  - [   0.0020394700000000,  0.0087218700000000, -0.0066136300000000 ]  - [  -0.0010215700000000,  0.0062302100000000,  0.0056861100000000 ]  - [  -0.0010373400000000,  0.0112264600000000,  0.0075244400000000 ]  - [   0.0020394700000000,  0.0087218700000000,  0.0066136300000000 ]  - [  -0.0015063100000000,  0.0089347800000000,  0.0000000000000000 ]  - [   0.0007906500000000,  0.0079280300000000,  0.0000000000000000 ]  - [   0.0007970700000000,  0.0099093300000000,  0.0000000000000000 ]  - [  -0.0034811100000000, -0.0085519200000000,  0.0066785400000000 ]  - [   0.0015246900000000, -0.0129496200000000,  0.0054790200000000 ]  - [   0.0015597100000000, -0.0045072200000000,  0.0077473800000000 ]  - [  -0.0034811100000000, -0.0085519200000000, -0.0066785400000000 ]  - [   0.0015246900000000, -0.0129496200000000, -0.0054790200000000 ]  - [   0.0015597100000000, -0.0045072200000000, -0.0077473800000000 ]  - [   0.0229588700000000,  0.0109799900000000,  0.0108501100000000 ]  - [  -0.0083086400000000,  0.0080910700000000,  0.0022267200000000 ]  - [  -0.0082156600000000,  0.0139629300000000,  0.0202401500000000 ]  - [   0.0229588700000000,  0.0109799900000000, -0.0108501100000000 ]  - [  -0.0083086400000000,  0.0080910700000000, -0.0022267200000000 ]  - [  -0.0082156600000000,  0.0139629300000000, -0.0202401500000000 ]  - [   0.0030686700000000, -0.0118893400000000, -0.0098279100000000 ]  - [   0.0031353200000000, -0.0101424500000000, -0.0126971600000000 ]  - [  -0.0048597100000000, -0.0110252800000000, -0.0112757800000000 ]  - [   0.0030686700000000, -0.0118893400000000,  0.0098279100000000 ]  - [   0.0031353200000000, -0.0101424500000000,  0.0126971600000000 ]  - [  -0.0048597100000000, -0.0110252800000000,  0.0112757800000000 ]  - [   0.0010698400000000,  0.0112082100000000,  0.0119064800000000 ]  - [   0.0011272200000000,  0.0108163600000000,  0.0106384200000000 ]  - [  -0.0023165600000000,  0.0110323900000000,  0.0112703600000000 ]  - [   0.0010698400000000,  0.0112082100000000, -0.0119064800000000 ]  - [   0.0011272200000000,  0.0108163600000000, -0.0106384200000000 ]  - [  -0.0023165600000000,  0.0110323900000000, -0.0112703600000000 ]  - [   0.0021798100000000, -0.0110432500000000, -0.0112650200000000 ]  - [  -0.0010903800000000, -0.0105073300000000, -0.0113527400000000 ]  - [  -0.0011007900000000, -0.0115566700000000, -0.0111798400000000 ]  - [   0.0021798100000000, -0.0110432500000000,  0.0112650200000000 ]  - [  -0.0010903800000000, -0.0105073300000000,  0.0113527400000000 ]  - [  -0.0011007900000000, -0.0115566700000000,  0.0111798400000000 ]  - [   0.0028940200000000, -0.0008725600000000,  0.0000000000000000 ]  - [  -0.0015064700000000, -0.0011278800000000,  0.0000000000000000 ]  - [  -0.0015279800000000, -0.0006390600000000,  0.0000000000000000 ]  - [   0.0111419900000000,  0.0005352800000000,  0.0021623700000000 ]  - [  -0.0025158000000000,  0.0041423200000000,  0.0066175700000000 ]  - [  -0.0024844100000000, -0.0032022400000000, -0.0022030700000000 ]  - [   0.0111419900000000,  0.0005352800000000, -0.0021623700000000 ]  - [  -0.0025158000000000,  0.0041423200000000, -0.0066175700000000 ]  - [  -0.0024844100000000, -0.0032022400000000,  0.0022030700000000 ]  - [   0.0001830100000000,  0.0019353800000000, -0.0049273400000000 ]  - [   0.0001606100000000, -0.0028742500000000,  0.0005528200000000 ]  - [  -0.0006484400000000, -0.0004644000000000, -0.0021971700000000 ]  - [   0.0251166800000000,  0.0015192900000000,  0.0000000000000000 ]  - [   0.0295044500000000,  0.0012568000000000,  0.0000000000000000 ]  - [  -0.0170328300000000,  0.0008928500000000,  0.0000000000000000 ]  - [   0.0001830100000000,  0.0019353800000000,  0.0049273400000000 ]  - [   0.0001606100000000, -0.0028742500000000, -0.0005528200000000 ]  - [  -0.0006484400000000, -0.0004644000000000,  0.0021971700000000 ]  - [   0.0006320200000000, -0.0003814000000000,  0.0000000000000000 ]  - [   0.0006452700000000, -0.0013916000000000,  0.0000000000000000 ]  - [  -0.0013273400000000, -0.0008840900000000,  0.0000000000000000 ]  - [   0.0005668300000000,  0.0036152000000000,  0.0009628700000000 ]  - [   0.0005803600000000, -0.0027324300000000,  0.0034438600000000 ]  - [  -0.0008872300000000,  0.0004425400000000,  0.0021950600000000 ]  - [   0.0005668300000000,  0.0036152000000000, -0.0009628700000000 ]  - [   0.0005803600000000, -0.0027324300000000, -0.0034438600000000 ]  - [  -0.0008872300000000,  0.0004425400000000, -0.0021950600000000 ]  - [   0.0004481800000000, -0.0004443800000000, -0.0022135500000000 ]  - [  -0.0003013800000000,  0.0008820700000000, -0.0013134500000000 ]  - [  -0.0003043900000000, -0.0017683700000000, -0.0030754200000000 ]  - [   0.0017842000000000,  0.0008733500000000,  0.0000000000000000 ]  - [  -0.0008603900000000,  0.0011520300000000,  0.0000000000000000 ]  - [  -0.0008752200000000,  0.0006189000000000,  0.0000000000000000 ]  - [   0.0004481800000000, -0.0004443800000000,  0.0022135500000000 ]  - [  -0.0003013800000000,  0.0008820700000000,  0.0013134500000000 ]  - [  -0.0003043900000000, -0.0017683700000000,  0.0030754200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.1948325600000000,  0.0000000000000000 ]  - [   0.0029798600000000, -0.0101593300000000,  0.0000000000000000 ]  - [  -0.0029798600000000, -0.0101593300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0347525400000000,  0.0128466300000000 ]  - [  -0.0008468800000000,  0.0049930400000000, -0.0071836800000000 ]  - [   0.0008468800000000,  0.0049930400000000, -0.0071836800000000 ]  - [   0.0000000000000000, -0.0347525400000000, -0.0128466300000000 ]  - [  -0.0008468800000000,  0.0049930400000000,  0.0071836800000000 ]  - [   0.0008468800000000,  0.0049930400000000,  0.0071836800000000 ]  - [   0.0012743400000000,  0.0081756000000000,  0.0000000000000000 ]  - [  -0.0012743400000000,  0.0081756000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0100322500000000,  0.0000000000000000 ]  - [  -0.0186853600000000, -0.0036853300000000, -0.0041752700000000 ]  - [   0.0186853600000000, -0.0036853300000000, -0.0041752700000000 ]  - [   0.0000000000000000, -0.0064252500000000,  0.0056872000000000 ]  - [  -0.0186853600000000, -0.0036853300000000,  0.0041752700000000 ]  - [   0.0186853600000000, -0.0036853300000000,  0.0041752700000000 ]  - [   0.0000000000000000, -0.0064252500000000, -0.0056872000000000 ]  - [   0.0022813800000000, -0.0026893100000000,  0.0000000000000000 ]  - [  -0.0022813800000000, -0.0026893100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0069734800000000,  0.0000000000000000 ]  - [   0.0019786700000000,  0.0145653500000000, -0.0068406700000000 ]  - [  -0.0019786700000000,  0.0145653500000000, -0.0068406700000000 ]  - [   0.0000000000000000,  0.0111113100000000, -0.0067471500000000 ]  - [   0.0019786700000000,  0.0145653500000000,  0.0068406700000000 ]  - [  -0.0019786700000000,  0.0145653500000000,  0.0068406700000000 ]  - [   0.0000000000000000,  0.0111113100000000,  0.0067471500000000 ]  - [   0.0000000000000000,  0.0123019000000000,  0.0000000000000000 ]  - [  -0.0009913400000000,  0.0079697200000000,  0.0000000000000000 ]  - [   0.0009913400000000,  0.0079697200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0263004800000000,  0.0207684000000000 ]  - [  -0.0032009200000000, -0.0105572100000000,  0.0074059300000000 ]  - [   0.0032009200000000, -0.0105572100000000,  0.0074059300000000 ]  - [   0.0000000000000000,  0.0263004800000000, -0.0207684000000000 ]  - [  -0.0032009200000000, -0.0105572100000000, -0.0074059300000000 ]  - [   0.0032009200000000, -0.0105572100000000, -0.0074059300000000 ]  - [   0.0000000000000000,  0.0441601200000000,  0.0180251500000000 ]  - [  -0.0032487400000000,  0.0123558000000000,  0.0105134700000000 ]  - [   0.0032487400000000,  0.0123558000000000,  0.0105134700000000 ]  - [   0.0000000000000000,  0.0441601200000000, -0.0180251500000000 ]  - [  -0.0032487400000000,  0.0123558000000000, -0.0105134700000000 ]  - [   0.0032487400000000,  0.0123558000000000, -0.0105134700000000 ]  - [  -0.0014652200000000, -0.0059227800000000, -0.0132384800000000 ]  - [   0.0014652200000000, -0.0059227800000000, -0.0132384800000000 ]  - [   0.0000000000000000, -0.0103747200000000, -0.0123661800000000 ]  - [  -0.0014652200000000, -0.0059227800000000,  0.0132384800000000 ]  - [   0.0014652200000000, -0.0059227800000000,  0.0132384800000000 ]  - [   0.0000000000000000, -0.0103747200000000,  0.0123661800000000 ]  - [  -0.0053155200000000,  0.0066494100000000,  0.0119526800000000 ]  - [   0.0053155200000000,  0.0066494100000000,  0.0119526800000000 ]  - [   0.0000000000000000,  0.0104430000000000,  0.0111291100000000 ]  - [  -0.0053155200000000,  0.0066494100000000, -0.0119526800000000 ]  - [   0.0053155200000000,  0.0066494100000000, -0.0119526800000000 ]  - [   0.0000000000000000,  0.0104430000000000, -0.0111291100000000 ]  - [   0.0000000000000000, -0.0157366500000000, -0.0095538900000000 ]  - [   0.0010261900000000, -0.0113624300000000, -0.0108576900000000 ]  - [  -0.0010261900000000, -0.0113624300000000, -0.0108576900000000 ]  - [   0.0000000000000000, -0.0157366500000000,  0.0095538900000000 ]  - [   0.0010261900000000, -0.0113624300000000,  0.0108576900000000 ]  - [  -0.0010261900000000, -0.0113624300000000,  0.0108576900000000 ]  - [   0.0000000000000000,  0.0026313800000000,  0.0000000000000000 ]  - [   0.0001575400000000, -0.0010198100000000,  0.0000000000000000 ]  - [  -0.0001575400000000, -0.0010198100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0426883000000000, -0.0000385100000000 ]  - [   0.0007104400000000,  0.0033764600000000,  0.0025256300000000 ]  - [  -0.0007104400000000,  0.0033764600000000,  0.0025256300000000 ]  - [   0.0000000000000000,  0.0426883000000000,  0.0000385100000000 ]  - [   0.0007104400000000,  0.0033764600000000, -0.0025256300000000 ]  - [  -0.0007104400000000,  0.0033764600000000, -0.0025256300000000 ]  - [   0.0002369400000000, -0.0036019600000000, -0.0001884400000000 ]  - [  -0.0002369400000000, -0.0036019600000000, -0.0001884400000000 ]  - [   0.0000000000000000, -0.0021305600000000, -0.0020897000000000 ]  - [  -0.0181979900000000,  0.0179069900000000,  0.0000000000000000 ]  - [   0.0181979900000000,  0.0179069900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001657400000000,  0.0000000000000000 ]  - [   0.0002369400000000, -0.0036019600000000,  0.0001884400000000 ]  - [  -0.0002369400000000, -0.0036019600000000,  0.0001884400000000 ]  - [   0.0000000000000000, -0.0021305600000000,  0.0020897000000000 ]  - [  -0.0017020400000000, -0.0014735700000000,  0.0000000000000000 ]  - [   0.0017020400000000, -0.0014735700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0009933700000000,  0.0000000000000000 ]  - [   0.0005348400000000, -0.0048022700000000,  0.0023569500000000 ]  - [  -0.0005348400000000, -0.0048022700000000,  0.0023569500000000 ]  - [   0.0000000000000000, -0.0016830000000000,  0.0020106000000000 ]  - [   0.0005348400000000, -0.0048022700000000, -0.0023569500000000 ]  - [  -0.0005348400000000, -0.0048022700000000, -0.0023569500000000 ]  - [   0.0000000000000000, -0.0016830000000000, -0.0020106000000000 ]  - [   0.0000000000000000,  0.0010273200000000, -0.0092548400000000 ]  - [   0.0001416200000000,  0.0014351100000000, -0.0021252700000000 ]  - [  -0.0001416200000000,  0.0014351100000000, -0.0021252700000000 ]  - [   0.0000000000000000, -0.0039301300000000,  0.0000000000000000 ]  - [   0.0011907300000000,  0.0005746500000000,  0.0000000000000000 ]  - [  -0.0011907300000000,  0.0005746500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0010273200000000,  0.0092548400000000 ]  - [   0.0001416200000000,  0.0014351100000000,  0.0021252700000000 ]  - [  -0.0001416200000000,  0.0014351100000000,  0.0021252700000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.1783466800000000,  0.0000000000000000 ]  - [  -0.0030235900000000, -0.0077016600000000,  0.0000000000000000 ]  - [   0.0030235900000000, -0.0077016600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0526792300000000, -0.0263115600000000 ]  - [   0.0008575700000000,  0.0124540400000000, -0.0060241600000000 ]  - [  -0.0008575700000000,  0.0124540400000000, -0.0060241600000000 ]  - [   0.0000000000000000,  0.0526792300000000,  0.0263115600000000 ]  - [   0.0008575700000000,  0.0124540400000000,  0.0060241600000000 ]  - [  -0.0008575700000000,  0.0124540400000000,  0.0060241600000000 ]  - [  -0.0012690500000000,  0.0096997900000000,  0.0000000000000000 ]  - [   0.0012690500000000,  0.0096997900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0078198700000000,  0.0000000000000000 ]  - [   0.0187703800000000, -0.0138265400000000,  0.0173633700000000 ]  - [  -0.0187703800000000, -0.0138265400000000,  0.0173633700000000 ]  - [   0.0000000000000000, -0.0110002300000000,  0.0075576700000000 ]  - [   0.0187703800000000, -0.0138265400000000, -0.0173633700000000 ]  - [  -0.0187703800000000, -0.0138265400000000, -0.0173633700000000 ]  - [   0.0000000000000000, -0.0110002300000000, -0.0075576700000000 ]  - [  -0.0023243200000000, -0.0152285800000000,  0.0000000000000000 ]  - [   0.0023243200000000, -0.0152285800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0109016800000000,  0.0000000000000000 ]  - [  -0.0020064100000000,  0.0027626100000000, -0.0063949900000000 ]  - [   0.0020064100000000,  0.0027626100000000, -0.0063949900000000 ]  - [   0.0000000000000000,  0.0062696700000000, -0.0064700100000000 ]  - [  -0.0020064100000000,  0.0027626100000000,  0.0063949900000000 ]  - [   0.0020064100000000,  0.0027626100000000,  0.0063949900000000 ]  - [   0.0000000000000000,  0.0062696700000000,  0.0064700100000000 ]  - [   0.0000000000000000,  0.0055530700000000,  0.0000000000000000 ]  - [   0.0010016900000000,  0.0098943100000000,  0.0000000000000000 ]  - [  -0.0010016900000000,  0.0098943100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0441472900000000, -0.0078010500000000 ]  - [   0.0032440600000000, -0.0068314800000000,  0.0058064700000000 ]  - [  -0.0032440600000000, -0.0068314800000000,  0.0058064700000000 ]  - [   0.0000000000000000, -0.0441472900000000,  0.0078010500000000 ]  - [   0.0032440600000000, -0.0068314800000000, -0.0058064700000000 ]  - [  -0.0032440600000000, -0.0068314800000000, -0.0058064700000000 ]  - [   0.0000000000000000, -0.0209293500000000,  0.0058649100000000 ]  - [   0.0032684500000000,  0.0097190300000000,  0.0120397500000000 ]  - [  -0.0032684500000000,  0.0097190300000000,  0.0120397500000000 ]  - [   0.0000000000000000, -0.0209293500000000, -0.0058649100000000 ]  - [   0.0032684500000000,  0.0097190300000000, -0.0120397500000000 ]  - [  -0.0032684500000000,  0.0097190300000000, -0.0120397500000000 ]  - [   0.0014939500000000, -0.0161859800000000, -0.0092958700000000 ]  - [  -0.0014939500000000, -0.0161859800000000, -0.0092958700000000 ]  - [   0.0000000000000000, -0.0117044900000000, -0.0101601600000000 ]  - [   0.0014939500000000, -0.0161859800000000,  0.0092958700000000 ]  - [  -0.0014939500000000, -0.0161859800000000,  0.0092958700000000 ]  - [   0.0000000000000000, -0.0117044900000000,  0.0101601600000000 ]  - [   0.0053720600000000,  0.0154798200000000,  0.0105615500000000 ]  - [  -0.0053720600000000,  0.0154798200000000,  0.0105615500000000 ]  - [   0.0000000000000000,  0.0116309900000000,  0.0114107100000000 ]  - [   0.0053720600000000,  0.0154798200000000, -0.0105615500000000 ]  - [  -0.0053720600000000,  0.0154798200000000, -0.0105615500000000 ]  - [   0.0000000000000000,  0.0116309900000000, -0.0114107100000000 ]  - [   0.0000000000000000, -0.0062651300000000, -0.0130197000000000 ]  - [  -0.0010372600000000, -0.0107017800000000, -0.0116844100000000 ]  - [   0.0010372600000000, -0.0107017800000000, -0.0116844100000000 ]  - [   0.0000000000000000, -0.0062651300000000,  0.0130197000000000 ]  - [  -0.0010372600000000, -0.0107017800000000,  0.0116844100000000 ]  - [   0.0010372600000000, -0.0107017800000000,  0.0116844100000000 ]  - [   0.0000000000000000, -0.0044417800000000,  0.0000000000000000 ]  - [  -0.0001620800000000, -0.0007569000000000,  0.0000000000000000 ]  - [   0.0001620800000000, -0.0007569000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0433532600000000,  0.0031113600000000 ]  - [  -0.0007253100000000, -0.0025062500000000,  0.0018552000000000 ]  - [   0.0007253100000000, -0.0025062500000000,  0.0018552000000000 ]  - [   0.0000000000000000, -0.0433532600000000, -0.0031113600000000 ]  - [  -0.0007253100000000, -0.0025062500000000, -0.0018552000000000 ]  - [   0.0007253100000000, -0.0025062500000000, -0.0018552000000000 ]  - [  -0.0002493800000000,  0.0027464600000000, -0.0042426400000000 ]  - [   0.0002493800000000,  0.0027464600000000, -0.0042426400000000 ]  - [   0.0000000000000000,  0.0012435600000000, -0.0023089200000000 ]  - [   0.0179351400000000, -0.0164431100000000,  0.0000000000000000 ]  - [  -0.0179351400000000, -0.0164431100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0016513500000000,  0.0000000000000000 ]  - [  -0.0002493800000000,  0.0027464600000000,  0.0042426400000000 ]  - [   0.0002493800000000,  0.0027464600000000,  0.0042426400000000 ]  - [   0.0000000000000000,  0.0012435600000000,  0.0023089200000000 ]  - [   0.0017190200000000, -0.0002964100000000,  0.0000000000000000 ]  - [  -0.0017190200000000, -0.0002964100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0007778700000000,  0.0000000000000000 ]  - [  -0.0005413700000000,  0.0057760500000000,  0.0020621500000000 ]  - [   0.0005413700000000,  0.0057760500000000,  0.0020621500000000 ]  - [   0.0000000000000000,  0.0026145200000000,  0.0023875000000000 ]  - [  -0.0005413700000000,  0.0057760500000000, -0.0020621500000000 ]  - [   0.0005413700000000,  0.0057760500000000, -0.0020621500000000 ]  - [   0.0000000000000000,  0.0026145200000000, -0.0023875000000000 ]  - [   0.0000000000000000, -0.0019650700000000,  0.0048938100000000 ]  - [  -0.0001441600000000, -0.0023616900000000, -0.0022717900000000 ]  - [   0.0001441600000000, -0.0023616900000000, -0.0022717900000000 ]  - [   0.0000000000000000,  0.0057691700000000,  0.0000000000000000 ]  - [  -0.0012026000000000,  0.0012014200000000,  0.0000000000000000 ]  - [   0.0012026000000000,  0.0012014200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0019650700000000, -0.0048938100000000 ]  - [  -0.0001441600000000, -0.0023616900000000,  0.0022717900000000 ]  - [   0.0001441600000000, -0.0023616900000000,  0.0022717900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0093122100000000, -0.1970776200000000 ]  - [  -0.0000930900000000, -0.0089446900000000, -0.0115402900000000 ]  - [   0.0000930900000000, -0.0089446900000000, -0.0115402900000000 ]  - [   0.0000000000000000,  0.0168176600000000,  0.0495098400000000 ]  - [  -0.0058587100000000,  0.0120542100000000, -0.0044661300000000 ]  - [   0.0058587100000000,  0.0120542100000000, -0.0044661300000000 ]  - [   0.0000000000000000,  0.0002071900000000,  0.0636083000000000 ]  - [   0.0058828600000000,  0.0053352900000000,  0.0087484900000000 ]  - [  -0.0058828600000000,  0.0053352900000000,  0.0087484900000000 ]  - [   0.0000020000000000,  0.0089451300000000,  0.0218249400000000 ]  - [  -0.0000020000000000,  0.0089451300000000,  0.0218249400000000 ]  - [   0.0000000000000000,  0.0089305000000000,  0.0086919100000000 ]  - [   0.0395419000000000, -0.0193417800000000,  0.0078757300000000 ]  - [  -0.0395419000000000, -0.0193417800000000,  0.0078757300000000 ]  - [   0.0000000000000000, -0.0118577800000000,  0.0066979400000000 ]  - [  -0.0399178200000000,  0.0019655500000000, -0.0054444800000000 ]  - [   0.0399178200000000,  0.0019655500000000, -0.0054444800000000 ]  - [   0.0000000000000000, -0.0055347100000000, -0.0065289200000000 ]  - [  -0.0000008700000000, -0.0089148000000000, -0.0149384800000000 ]  - [   0.0000008700000000, -0.0089148000000000, -0.0149384800000000 ]  - [   0.0000000000000000, -0.0089184500000000, -0.0053456300000000 ]  - [   0.0024214100000000,  0.0063117000000000, -0.0035757500000000 ]  - [  -0.0024214100000000,  0.0063117000000000, -0.0035757500000000 ]  - [   0.0000000000000000,  0.0082880900000000, -0.0058552100000000 ]  - [  -0.0024206300000000,  0.0111091400000000,  0.0096614500000000 ]  - [   0.0024206300000000,  0.0111091400000000,  0.0096614500000000 ]  - [   0.0000000000000000,  0.0091373500000000,  0.0073627900000000 ]  - [   0.0000000000000000,  0.0089102100000000,  0.0206277900000000 ]  - [  -0.0000018000000000,  0.0089192700000000,  0.0061981100000000 ]  - [   0.0000018000000000,  0.0089192700000000,  0.0061981100000000 ]  - [   0.0000000000000000,  0.0279384600000000,  0.0174788800000000 ]  - [  -0.0027210500000000, -0.0076819300000000,  0.0060701400000000 ]  - [   0.0027210500000000, -0.0076819300000000,  0.0060701400000000 ]  - [   0.0000000000000000, -0.0453294900000000,  0.0042091300000000 ]  - [   0.0027147100000000, -0.0097348600000000, -0.0071612600000000 ]  - [  -0.0027147100000000, -0.0097348600000000, -0.0071612600000000 ]  - [   0.0000000000000000,  0.0248137000000000,  0.0440225200000000 ]  - [  -0.0081029500000000,  0.0152387400000000,  0.0163384900000000 ]  - [   0.0081029500000000,  0.0152387400000000,  0.0163384900000000 ]  - [   0.0000000000000000, -0.0010542200000000,  0.0189763500000000 ]  - [   0.0080593800000000,  0.0068860600000000, -0.0062546900000000 ]  - [  -0.0080593800000000,  0.0068860600000000, -0.0062546900000000 ]  - [   0.0108968000000000, -0.0127909100000000, -0.0218467400000000 ]  - [  -0.0108968000000000, -0.0127909100000000, -0.0218467400000000 ]  - [   0.0000000000000000, -0.0125607000000000, -0.0151153500000000 ]  - [  -0.0108356700000000, -0.0092532700000000,  0.0006995500000000 ]  - [   0.0108356700000000, -0.0092532700000000,  0.0006995500000000 ]  - [   0.0000000000000000, -0.0095117600000000,  0.0074328100000000 ]  - [   0.0051706900000000,  0.0150666500000000,  0.0139502100000000 ]  - [  -0.0051706900000000,  0.0150666500000000,  0.0139502100000000 ]  - [   0.0000000000000000,  0.0119805700000000,  0.0127684200000000 ]  - [  -0.0051926900000000,  0.0070021600000000, -0.0085840400000000 ]  - [   0.0051926900000000,  0.0070021600000000, -0.0085840400000000 ]  - [   0.0000000000000000,  0.0100819700000000, -0.0097698600000000 ]  - [   0.0000000000000000, -0.0079870000000000, -0.0190628200000000 ]  - [  -0.0014756800000000, -0.0118125200000000, -0.0131592700000000 ]  - [   0.0014756800000000, -0.0118125200000000, -0.0131592700000000 ]  - [   0.0000000000000000, -0.0140925600000000,  0.0034490700000000 ]  - [   0.0014788400000000, -0.0102549300000000,  0.0093752100000000 ]  - [  -0.0014788400000000, -0.0102549300000000,  0.0093752100000000 ]  - [   0.0000000000000000, -0.0008736300000000, -0.0134730700000000 ]  - [  -0.0000018900000000, -0.0008910100000000, -0.0052046200000000 ]  - [   0.0000018900000000, -0.0008910100000000, -0.0052046200000000 ]  - [   0.0000000000000000, -0.0053991200000000,  0.0025019000000000 ]  - [   0.0007323900000000,  0.0001194000000000,  0.0044133300000000 ]  - [  -0.0007323900000000,  0.0001194000000000,  0.0044133300000000 ]  - [   0.0000000000000000,  0.0051139700000000, -0.0006093800000000 ]  - [  -0.0007211600000000,  0.0007916300000000,  0.0000432400000000 ]  - [   0.0007211600000000,  0.0007916300000000,  0.0000432400000000 ]  - [  -0.0013699900000000, -0.0001434800000000, -0.0079831400000000 ]  - [   0.0013699900000000, -0.0001434800000000, -0.0079831400000000 ]  - [   0.0000000000000000, -0.0003579600000000, -0.0042646300000000 ]  - [   0.0001495600000000,  0.0008552600000000,  0.0183804700000000 ]  - [  -0.0001495600000000,  0.0008552600000000,  0.0183804700000000 ]  - [   0.0000000000000000,  0.0009023400000000,  0.0044767200000000 ]  - [   0.0013632500000000, -0.0007613000000000, -0.0035573100000000 ]  - [  -0.0013632500000000, -0.0007613000000000, -0.0035573100000000 ]  - [   0.0000000000000000, -0.0005568000000000,  0.0001279300000000 ]  - [  -0.0000065900000000, -0.0008848700000000, -0.0033042400000000 ]  - [   0.0000065900000000, -0.0008848700000000, -0.0033042400000000 ]  - [   0.0000000000000000, -0.0008856800000000, -0.0018243000000000 ]  - [  -0.0024122200000000,  0.0080051100000000,  0.0053416200000000 ]  - [   0.0024122200000000,  0.0080051100000000,  0.0053416200000000 ]  - [   0.0000000000000000,  0.0024507800000000,  0.0033404100000000 ]  - [   0.0024384300000000, -0.0071263600000000,  0.0009395600000000 ]  - [  -0.0024384300000000, -0.0071263600000000,  0.0009395600000000 ]  - [   0.0000000000000000, -0.0015523500000000, -0.0010525300000000 ]  - [   0.0000000000000000, -0.0133502300000000, -0.0149717800000000 ]  - [   0.0005060500000000, -0.0027971300000000, -0.0036547500000000 ]  - [  -0.0005060500000000, -0.0027971300000000, -0.0036547500000000 ]  - [   0.0000000000000000,  0.0008833300000000,  0.0053968500000000 ]  - [   0.0000043500000000,  0.0008856400000000,  0.0025032500000000 ]  - [  -0.0000043500000000,  0.0008856400000000,  0.0025032500000000 ]  - [   0.0000000000000000,  0.0125631100000000, -0.0105997400000000 ]  - [  -0.0005101600000000,  0.0019006200000000,  0.0007470500000000 ]  - [   0.0005101600000000,  0.0019006200000000,  0.0007470500000000 ]- atom:    4  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0090508400000000, -0.0090804900000000, -0.0001733900000000 ]  - [   0.0024598700000000, -0.0080752300000000,  0.0058882800000000 ]  - [   0.0024859600000000, -0.0097806700000000, -0.0058516800000000 ]  - [  -0.1831995300000000,  0.0071185600000000, -0.0061441600000000 ]  - [   0.0464940000000000,  0.0049400300000000, -0.0018932300000000 ]  - [   0.0460832500000000,  0.0124377900000000, -0.0113403200000000 ]  - [  -0.0072197900000000,  0.0086567800000000,  0.0065830400000000 ]  - [   0.0039144500000000,  0.0078589000000000,  0.0044748100000000 ]  - [   0.0038936300000000,  0.0095271100000000,  0.0087146500000000 ]  - [  -0.0055246000000000, -0.0096491000000000,  0.0395115400000000 ]  - [  -0.0053797300000000,  0.0278043100000000, -0.0399460900000000 ]  - [   0.0103779400000000,  0.0089405600000000, -0.0000189900000000 ]  - [  -0.0012099500000000, -0.0446707100000000, -0.0199357800000000 ]  - [  -0.0010552300000000,  0.0278986400000000,  0.0335115100000000 ]  - [   0.0125524700000000, -0.0086839400000000,  0.0066258100000000 ]  - [  -0.0015992500000000, -0.0084505800000000, -0.0046997200000000 ]  - [  -0.0016238400000000, -0.0089381600000000, -0.0085618600000000 ]  - [   0.0037977900000000, -0.0086987500000000, -0.0066127400000000 ]  - [  -0.0010152300000000, -0.0108912100000000, -0.0024324400000000 ]  - [  -0.0010410200000000, -0.0069076600000000,  0.0024077100000000 ]  - [   0.0020369000000000, -0.0089120600000000, -0.0000007000000000 ]  - [  -0.0016927100000000,  0.0025891200000000, -0.0060325200000000 ]  - [  -0.0017314600000000,  0.0149210800000000, -0.0071854000000000 ]  - [   0.0033425200000000,  0.0087234700000000, -0.0066108200000000 ]  - [  -0.0012303100000000,  0.0051840800000000,  0.0076267700000000 ]  - [  -0.0012669200000000,  0.0122897100000000,  0.0055924800000000 ]  - [   0.0023705700000000,  0.0087200100000000,  0.0066078000000000 ]  - [  -0.0034809200000000,  0.0090618000000000,  0.0001312000000000 ]  - [   0.0015268000000000,  0.0056835800000000, -0.0027161000000000 ]  - [   0.0015566500000000,  0.0121267800000000,  0.0027176700000000 ]  - [  -0.0096843700000000, -0.0084522500000000,  0.0065698400000000 ]  - [   0.0028944100000000, -0.0147687900000000,  0.0083799000000000 ]  - [   0.0029385800000000, -0.0027016300000000,  0.0048568500000000 ]  - [  -0.0026516300000000, -0.0087009200000000, -0.0066101100000000 ]  - [   0.0013032900000000, -0.0102032500000000, -0.0068021400000000 ]  - [   0.0013167000000000, -0.0072357200000000, -0.0064220000000000 ]  - [   0.0042108000000000,  0.0110546100000000,  0.0113047000000000 ]  - [  -0.0021429500000000,  0.0101329700000000,  0.0104522400000000 ]  - [  -0.0021515900000000,  0.0119347100000000,  0.0120943700000000 ]  - [   0.0343620400000000,  0.0108913900000000, -0.0115616600000000 ]  - [  -0.0108348300000000,  0.0060636700000000, -0.0175590700000000 ]  - [  -0.0107870200000000,  0.0159801400000000, -0.0050327700000000 ]  - [   0.0027681100000000, -0.0136064800000000, -0.0170830900000000 ]  - [   0.0027784300000000, -0.0084433500000000, -0.0053841800000000 ]  - [  -0.0042839700000000, -0.0110371500000000, -0.0112629000000000 ]  - [   0.0332219300000000, -0.0058643600000000,  0.0115630200000000 ]  - [   0.0375586000000000, -0.0152585100000000,  0.0106244300000000 ]  - [  -0.0236757300000000, -0.0110714000000000,  0.0112879900000000 ]  - [   0.0009629200000000,  0.0120090800000000,  0.0117649300000000 ]  - [   0.0009859400000000,  0.0100565800000000,  0.0107808400000000 ]  - [  -0.0019855200000000,  0.0110340600000000,  0.0112685600000000 ]  - [   0.0018132200000000,  0.0116343100000000, -0.0107806300000000 ]  - [   0.0019353600000000,  0.0103712900000000, -0.0117465500000000 ]  - [  -0.0037672500000000,  0.0110331600000000, -0.0112658700000000 ]  - [   0.0025817500000000, -0.0110555100000000, -0.0113021400000000 ]  - [  -0.0012460600000000, -0.0105748600000000, -0.0104958200000000 ]  - [  -0.0012609400000000, -0.0114982900000000, -0.0120417700000000 ]  - [   0.0042523000000000, -0.0110691300000000,  0.0112591900000000 ]  - [  -0.0017715500000000, -0.0101555100000000,  0.0112701500000000 ]  - [  -0.0017953400000000, -0.0119179400000000,  0.0112575200000000 ]  - [   0.0290251200000000, -0.0009784300000000,  0.0002627600000000 ]  - [  -0.0094608300000000, -0.0034503700000000,  0.0050653000000000 ]  - [  -0.0094145400000000,  0.0016577300000000, -0.0050385900000000 ]  - [   0.0181663700000000,  0.0004839300000000,  0.0021967700000000 ]  - [  -0.0022417200000000,  0.0032970200000000, -0.0016900100000000 ]  - [  -0.0022264700000000, -0.0023626200000000,  0.0060777600000000 ]  - [   0.0006155100000000,  0.0004574500000000, -0.0021621400000000 ]  - [  -0.0004336600000000,  0.0015792600000000, -0.0030253200000000 ]  - [  -0.0004380200000000, -0.0006504300000000, -0.0013667800000000 ]  - [   0.0005493500000000,  0.0089158800000000, -0.0023535900000000 ]  - [   0.0005560100000000, -0.0099765000000000, -0.0020639800000000 ]  - [  -0.0009287800000000, -0.0004654100000000, -0.0021991600000000 ]  - [   0.0030910300000000,  0.0007127300000000,  0.0015456700000000 ]  - [   0.0031671000000000,  0.0011062900000000, -0.0015127800000000 ]  - [  -0.0048409500000000,  0.0008859000000000,  0.0000000000000000 ]  - [   0.0003791800000000,  0.0054159000000000, -0.0037642000000000 ]  - [   0.0003677300000000, -0.0064103800000000,  0.0082276500000000 ]  - [  -0.0008975000000000, -0.0004663100000000,  0.0022059600000000 ]  - [   0.0012706700000000, -0.0005070900000000, -0.0003853800000000 ]  - [   0.0013314800000000, -0.0012892900000000,  0.0003692600000000 ]  - [  -0.0022857300000000, -0.0008839000000000, -0.0000016000000000 ]  - [  -0.0000921500000000,  0.0085337800000000,  0.0039667600000000 ]  - [  -0.0001124700000000, -0.0077446300000000,  0.0004310700000000 ]  - [  -0.0012894100000000,  0.0004380700000000,  0.0021969600000000 ]  - [   0.0002758600000000,  0.0013303400000000, -0.0025588100000000 ]  - [   0.0002816600000000, -0.0004571000000000, -0.0018244200000000 ]  - [  -0.0004995200000000,  0.0004470400000000, -0.0021947300000000 ]  - [   0.0092103300000000, -0.0004051100000000, -0.0022044500000000 ]  - [  -0.0031064300000000,  0.0060839000000000, -0.0016560600000000 ]  - [  -0.0030787900000000, -0.0069443300000000, -0.0027514200000000 ]  - [   0.0022001900000000,  0.0008695900000000,  0.0000193000000000 ]  - [  -0.0010939300000000,  0.0012465600000000, -0.0003710900000000 ]  - [  -0.0011107300000000,  0.0005224900000000,  0.0003774400000000 ]  - [   0.0008932000000000, -0.0004344000000000,  0.0021660900000000 ]  - [  -0.0006232400000000,  0.0002929600000000,  0.0028746900000000 ]  - [  -0.0006229700000000, -0.0011752400000000,  0.0015199100000000 ]- atom:    4  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0526641900000000,  0.0083443200000000 ]  - [   0.0006967100000000, -0.0126541100000000,  0.0033489500000000 ]  - [  -0.0006967100000000, -0.0126541100000000,  0.0033489500000000 ]  - [   0.0000000000000000, -0.1924388900000000,  0.0001297100000000 ]  - [   0.0036978500000000,  0.0042976500000000, -0.0074349600000000 ]  - [  -0.0036978500000000,  0.0042976500000000, -0.0074349600000000 ]  - [   0.0000000000000000, -0.0048677400000000,  0.0014527000000000 ]  - [   0.0008358900000000,  0.0051813000000000,  0.0062541900000000 ]  - [  -0.0008358900000000,  0.0051813000000000,  0.0062541900000000 ]  - [  -0.0145561500000000,  0.0139204600000000, -0.0106341300000000 ]  - [   0.0145561500000000,  0.0139204600000000, -0.0106341300000000 ]  - [   0.0000000000000000,  0.0111914800000000, -0.0031357500000000 ]  - [  -0.0365177700000000,  0.0092079900000000,  0.0111155800000000 ]  - [   0.0365177700000000,  0.0092079900000000,  0.0111155800000000 ]  - [   0.0000000000000000, -0.0034266700000000,  0.0062883800000000 ]  - [   0.0002468200000000, -0.0046138100000000, -0.0067109000000000 ]  - [  -0.0002468200000000, -0.0046138100000000, -0.0067109000000000 ]  - [   0.0000000000000000, -0.0062437700000000, -0.0063152300000000 ]  - [   0.0024801500000000, -0.0030445700000000, -0.0023805800000000 ]  - [  -0.0024801500000000, -0.0030445700000000, -0.0023805800000000 ]  - [   0.0000000000000000, -0.0065099200000000, -0.0004219300000000 ]  - [   0.0061198200000000,  0.0213960800000000, -0.0074447800000000 ]  - [  -0.0061198200000000,  0.0213960800000000, -0.0074447800000000 ]  - [   0.0000000000000000,  0.0134865600000000, -0.0068218700000000 ]  - [   0.0035457000000000,  0.0143670300000000,  0.0078692200000000 ]  - [  -0.0035457000000000,  0.0143670300000000,  0.0078692200000000 ]  - [   0.0000000000000000,  0.0116982900000000,  0.0068517600000000 ]  - [   0.0000000000000000,  0.0439460800000000,  0.0364573600000000 ]  - [  -0.0042076800000000,  0.0070697500000000,  0.0010183500000000 ]  - [   0.0042076800000000,  0.0070697500000000,  0.0010183500000000 ]  - [   0.0000000000000000,  0.0423521500000000, -0.0338195700000000 ]  - [  -0.0060022800000000, -0.0125960000000000,  0.0066687300000000 ]  - [   0.0060022800000000, -0.0125960000000000,  0.0066687300000000 ]  - [   0.0000000000000000, -0.0115757900000000, -0.0032278800000000 ]  - [  -0.0014759700000000, -0.0117413800000000, -0.0064521800000000 ]  - [   0.0014759700000000, -0.0117413800000000, -0.0064521800000000 ]  - [   0.0000000000000000,  0.0116462600000000,  0.0122062300000000 ]  - [  -0.0002325300000000,  0.0106078900000000,  0.0104315700000000 ]  - [   0.0002325300000000,  0.0106078900000000,  0.0104315700000000 ]  - [   0.0000000000000000,  0.0325653800000000, -0.0186954200000000 ]  - [  -0.0063909400000000,  0.0129148300000000, -0.0137659900000000 ]  - [   0.0063909400000000,  0.0129148300000000, -0.0137659900000000 ]  - [   0.0012132400000000, -0.0093335000000000, -0.0082077300000000 ]  - [  -0.0012132400000000, -0.0093335000000000, -0.0082077300000000 ]  - [   0.0000000000000000, -0.0107507900000000, -0.0105995100000000 ]  - [  -0.0164104900000000,  0.0091117900000000,  0.0116227700000000 ]  - [   0.0164104900000000,  0.0091117900000000,  0.0116227700000000 ]  - [   0.0000000000000000, -0.0127200200000000,  0.0132814100000000 ]  - [  -0.0022013400000000,  0.0111258000000000,  0.0116168300000000 ]  - [   0.0022013400000000,  0.0111258000000000,  0.0116168300000000 ]  - [   0.0000000000000000,  0.0109450300000000,  0.0111436600000000 ]  - [  -0.0106150200000000,  0.0043147500000000, -0.0086899100000000 ]  - [   0.0106150200000000,  0.0043147500000000, -0.0086899100000000 ]  - [   0.0000000000000000,  0.0098315300000000, -0.0107030300000000 ]  - [   0.0000000000000000, -0.0151158500000000, -0.0202215500000000 ]  - [   0.0015152800000000, -0.0110705900000000, -0.0118383300000000 ]  - [  -0.0015152800000000, -0.0110705900000000, -0.0118383300000000 ]  - [   0.0000000000000000, -0.0238180200000000,  0.0129898900000000 ]  - [   0.0025913800000000, -0.0115660700000000,  0.0107410900000000 ]  - [  -0.0025913800000000, -0.0115660700000000,  0.0107410900000000 ]  - [   0.0000000000000000,  0.0073788900000000,  0.0066860100000000 ]  - [  -0.0012086200000000, -0.0008727300000000,  0.0006076000000000 ]  - [   0.0012086200000000, -0.0008727300000000,  0.0006076000000000 ]  - [   0.0000000000000000,  0.0470022200000000, -0.0079635700000000 ]  - [   0.0006325300000000,  0.0050121000000000,  0.0019728100000000 ]  - [  -0.0006325300000000,  0.0050121000000000,  0.0019728100000000 ]  - [   0.0000000000000000,  0.0092645000000000, -0.0014289500000000 ]  - [   0.0001045900000000,  0.0034147300000000, -0.0030097100000000 ]  - [  -0.0001045900000000,  0.0034147300000000, -0.0030097100000000 ]  - [   0.0010176900000000, -0.0075405700000000, -0.0012538500000000 ]  - [  -0.0010176900000000, -0.0075405700000000, -0.0012538500000000 ]  - [   0.0000000000000000, -0.0040019400000000, -0.0017876000000000 ]  - [   0.0030220800000000,  0.0040972000000000, -0.0042050800000000 ]  - [  -0.0030220800000000,  0.0040972000000000, -0.0042050800000000 ]  - [   0.0000000000000000,  0.0010035500000000, -0.0017696500000000 ]  - [   0.0000067500000000, -0.0054286200000000,  0.0051070000000000 ]  - [  -0.0000067500000000, -0.0054286200000000,  0.0051070000000000 ]  - [   0.0000000000000000, -0.0030010700000000,  0.0030187600000000 ]  - [  -0.0064807500000000, -0.0045872300000000, -0.0020624600000000 ]  - [   0.0064807500000000, -0.0045872300000000, -0.0020624600000000 ]  - [   0.0000000000000000, -0.0013264000000000, -0.0004254000000000 ]  - [   0.0016493100000000, -0.0091434100000000,  0.0020702700000000 ]  - [  -0.0016493100000000, -0.0091434100000000,  0.0020702700000000 ]  - [   0.0000000000000000, -0.0034502200000000,  0.0019513000000000 ]  - [  -0.0001733400000000, -0.0037856700000000, -0.0015022900000000 ]  - [   0.0001733400000000, -0.0037856700000000, -0.0015022900000000 ]  - [   0.0000000000000000, -0.0017369900000000, -0.0019056100000000 ]  - [   0.0000000000000000,  0.0283978100000000,  0.0212096800000000 ]  - [   0.0006360600000000,  0.0040924800000000, -0.0017946600000000 ]  - [  -0.0006360600000000,  0.0040924800000000, -0.0017946600000000 ]  - [   0.0000000000000000, -0.0029279600000000,  0.0050821200000000 ]  - [   0.0015017300000000,  0.0007109700000000,  0.0007297900000000 ]  - [  -0.0015017300000000,  0.0007109700000000,  0.0007297900000000 ]  - [   0.0000000000000000,  0.0057466500000000, -0.0081568400000000 ]  - [   0.0003379400000000,  0.0021954100000000,  0.0013658300000000 ]  - [  -0.0003379400000000,  0.0021954100000000,  0.0013658300000000 ]- atom:    4  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0347604700000000, -0.0082638100000000 ]  - [  -0.0006919000000000, -0.0051966800000000, -0.0033688100000000 ]  - [   0.0006919000000000, -0.0051966800000000, -0.0033688100000000 ]  - [   0.0000000000000000,  0.2134903300000000, -0.0141035700000000 ]  - [  -0.0038017600000000,  0.0131165800000000, -0.0058548200000000 ]  - [   0.0038017600000000,  0.0131165800000000, -0.0058548200000000 ]  - [   0.0000000000000000,  0.0223886600000000,  0.0118192700000000 ]  - [  -0.0008344600000000,  0.0122642600000000,  0.0069851900000000 ]  - [   0.0008344600000000,  0.0122642600000000,  0.0069851900000000 ]  - [   0.0144989700000000,  0.0037817100000000,  0.0106709000000000 ]  - [  -0.0144989700000000,  0.0037817100000000,  0.0106709000000000 ]  - [   0.0000000000000000,  0.0066218000000000,  0.0031888100000000 ]  - [   0.0360521600000000, -0.0265022800000000,  0.0023512900000000 ]  - [  -0.0360521600000000, -0.0265022800000000,  0.0023512900000000 ]  - [   0.0000000000000000, -0.0140325800000000,  0.0068900700000000 ]  - [  -0.0002402600000000, -0.0128281500000000, -0.0064932500000000 ]  - [   0.0002402600000000, -0.0128281500000000, -0.0064932500000000 ]  - [   0.0000000000000000, -0.0111902900000000, -0.0068973900000000 ]  - [  -0.0025163700000000, -0.0148503900000000,  0.0024167900000000 ]  - [   0.0025163700000000, -0.0148503900000000,  0.0024167900000000 ]  - [   0.0000000000000000, -0.0113557700000000,  0.0004275700000000 ]  - [  -0.0062136700000000, -0.0040517400000000, -0.0057662300000000 ]  - [   0.0062136700000000, -0.0040517400000000, -0.0057662300000000 ]  - [   0.0000000000000000,  0.0038846300000000, -0.0063930400000000 ]  - [  -0.0035607000000000,  0.0030037400000000,  0.0053432600000000 ]  - [   0.0035607000000000,  0.0030037400000000,  0.0053432600000000 ]  - [   0.0000000000000000,  0.0056869000000000,  0.0063649300000000 ]  - [   0.0000000000000000, -0.0264958600000000, -0.0368119900000000 ]  - [   0.0042375500000000,  0.0107985600000000, -0.0010364700000000 ]  - [  -0.0042375500000000,  0.0107985600000000, -0.0010364700000000 ]  - [   0.0000000000000000, -0.0608449600000000,  0.0478921200000000 ]  - [   0.0060632900000000, -0.0047608200000000,  0.0065539600000000 ]  - [  -0.0060632900000000, -0.0047608200000000,  0.0065539600000000 ]  - [   0.0000000000000000, -0.0058507100000000, -0.0099995300000000 ]  - [   0.0014919800000000, -0.0056509400000000, -0.0067628400000000 ]  - [  -0.0014919800000000, -0.0056509400000000, -0.0067628400000000 ]  - [   0.0000000000000000,  0.0104372600000000,  0.0103388500000000 ]  - [   0.0002303500000000,  0.0114646400000000,  0.0121011700000000 ]  - [  -0.0002303500000000,  0.0114646400000000,  0.0121011700000000 ]  - [   0.0000000000000000, -0.0086886500000000, -0.0026460500000000 ]  - [   0.0063335400000000,  0.0092023200000000, -0.0087870400000000 ]  - [  -0.0063335400000000,  0.0092023200000000, -0.0087870400000000 ]  - [  -0.0012079900000000, -0.0127388900000000, -0.0143552400000000 ]  - [   0.0012079900000000, -0.0127388900000000, -0.0143552400000000 ]  - [   0.0000000000000000, -0.0113233300000000, -0.0119616700000000 ]  - [   0.0161784400000000, -0.0314629600000000,  0.0109910700000000 ]  - [  -0.0161784400000000, -0.0314629600000000,  0.0109910700000000 ]  - [   0.0000000000000000, -0.0092639600000000,  0.0092557800000000 ]  - [   0.0022231000000000,  0.0109463500000000,  0.0109116600000000 ]  - [  -0.0022231000000000,  0.0109463500000000,  0.0109116600000000 ]  - [   0.0000000000000000,  0.0111211300000000,  0.0113914300000000 ]  - [   0.0107059200000000,  0.0178214400000000, -0.0138926800000000 ]  - [  -0.0107059200000000,  0.0178214400000000, -0.0138926800000000 ]  - [   0.0000000000000000,  0.0122425200000000, -0.0118418600000000 ]  - [   0.0000000000000000, -0.0069356500000000, -0.0023116700000000 ]  - [  -0.0015210200000000, -0.0109951600000000, -0.0106938800000000 ]  - [   0.0015210200000000, -0.0109951600000000, -0.0106938800000000 ]  - [   0.0000000000000000,  0.0019296300000000,  0.0095450700000000 ]  - [  -0.0026222800000000, -0.0105084800000000,  0.0118029600000000 ]  - [   0.0026222800000000, -0.0105084800000000,  0.0118029600000000 ]  - [   0.0000000000000000, -0.0089083600000000, -0.0068958800000000 ]  - [   0.0012450000000000, -0.0008750800000000, -0.0006499700000000 ]  - [  -0.0012450000000000, -0.0008750800000000, -0.0006499700000000 ]  - [   0.0000000000000000, -0.0463836300000000,  0.0129940500000000 ]  - [  -0.0006340000000000, -0.0041528100000000,  0.0024515100000000 ]  - [   0.0006340000000000, -0.0041528100000000,  0.0024515100000000 ]  - [   0.0000000000000000, -0.0083764800000000, -0.0029577100000000 ]  - [  -0.0001079200000000, -0.0025212100000000, -0.0013873200000000 ]  - [   0.0001079200000000, -0.0025212100000000, -0.0013873200000000 ]  - [  -0.0010452200000000,  0.0067146700000000, -0.0031338100000000 ]  - [   0.0010452200000000,  0.0067146700000000, -0.0031338100000000 ]  - [   0.0000000000000000,  0.0031399900000000, -0.0025971100000000 ]  - [  -0.0030009000000000, -0.0023128500000000,  0.0041904300000000 ]  - [   0.0030009000000000, -0.0023128500000000,  0.0041904300000000 ]  - [   0.0000000000000000,  0.0007704700000000,  0.0017754400000000 ]  - [  -0.0000072600000000,  0.0045711000000000, -0.0007370200000000 ]  - [   0.0000072600000000,  0.0045711000000000, -0.0007370200000000 ]  - [   0.0000000000000000,  0.0021230000000000,  0.0013572300000000 ]  - [   0.0065026400000000,  0.0028472800000000,  0.0020959500000000 ]  - [  -0.0065026400000000,  0.0028472800000000,  0.0020959500000000 ]  - [   0.0000000000000000, -0.0004430600000000,  0.0004322400000000 ]  - [  -0.0016217500000000,  0.0101412500000000,  0.0023278300000000 ]  - [   0.0016217500000000,  0.0101412500000000,  0.0023278300000000 ]  - [   0.0000000000000000,  0.0043947300000000,  0.0024493200000000 ]  - [   0.0001745300000000,  0.0047272000000000, -0.0029136700000000 ]  - [  -0.0001745300000000,  0.0047272000000000, -0.0029136700000000 ]  - [   0.0000000000000000,  0.0026642100000000, -0.0024966400000000 ]  - [   0.0000000000000000, -0.0333947700000000, -0.0275988700000000 ]  - [  -0.0006546000000000, -0.0050557500000000, -0.0026019900000000 ]  - [   0.0006546000000000, -0.0050557500000000, -0.0026019900000000 ]  - [   0.0000000000000000,  0.0047626700000000, -0.0051469500000000 ]  - [  -0.0015146500000000,  0.0010592400000000, -0.0007379900000000 ]  - [   0.0015146500000000,  0.0010592400000000, -0.0007379900000000 ]  - [   0.0000000000000000, -0.0066742800000000,  0.0126765700000000 ]  - [  -0.0003409900000000, -0.0031241700000000,  0.0030415700000000 ]  - [   0.0003409900000000, -0.0031241700000000,  0.0030415700000000 ]- atom:    4  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0107612200000000,  0.0571089900000000 ]  - [   0.0044772000000000, -0.0095025000000000,  0.0021208000000000 ]  - [  -0.0044772000000000, -0.0095025000000000,  0.0021208000000000 ]  - [   0.0000000000000000,  0.0162993500000000, -0.1674009000000000 ]  - [  -0.0047787300000000,  0.0079101500000000, -0.0086110800000000 ]  - [   0.0047787300000000,  0.0079101500000000, -0.0086110800000000 ]  - [   0.0000000000000000,  0.0138841100000000,  0.0350890000000000 ]  - [  -0.0021079500000000,  0.0090701200000000,  0.0085628400000000 ]  - [   0.0021079500000000,  0.0090701200000000,  0.0085628400000000 ]  - [   0.0296268400000000, -0.0017943000000000,  0.0012650600000000 ]  - [  -0.0296268400000000, -0.0017943000000000,  0.0012650600000000 ]  - [   0.0000000000000000,  0.0079852900000000,  0.0001175300000000 ]  - [  -0.0268041100000000, -0.0043503400000000, -0.0029873200000000 ]  - [   0.0268041100000000, -0.0043503400000000, -0.0029873200000000 ]  - [   0.0000000000000000, -0.0090219500000000,  0.0042971400000000 ]  - [  -0.0019464800000000, -0.0085755100000000, -0.0007766300000000 ]  - [   0.0019464800000000, -0.0085755100000000, -0.0007766300000000 ]  - [   0.0000000000000000, -0.0089921600000000, -0.0053384600000000 ]  - [  -0.0009220000000000, -0.0091467500000000,  0.0030296600000000 ]  - [   0.0009220000000000, -0.0091467500000000,  0.0030296600000000 ]  - [   0.0000000000000000, -0.0090614100000000,  0.0007462100000000 ]  - [  -0.0005861300000000,  0.0078786000000000, -0.0087214400000000 ]  - [   0.0005861300000000,  0.0078786000000000, -0.0087214400000000 ]  - [   0.0000000000000000,  0.0084915700000000, -0.0069766600000000 ]  - [   0.0010148600000000,  0.0074466900000000,  0.0081925500000000 ]  - [  -0.0010148600000000,  0.0074466900000000,  0.0081925500000000 ]  - [   0.0000000000000000,  0.0084670100000000,  0.0069741800000000 ]  - [   0.0000000000000000,  0.0232266100000000,  0.0108841600000000 ]  - [  -0.0011347600000000,  0.0097275300000000, -0.0005337000000000 ]  - [   0.0011347600000000,  0.0097275300000000, -0.0005337000000000 ]  - [   0.0000000000000000, -0.0496600700000000, -0.0295689600000000 ]  - [   0.0017626800000000, -0.0086476600000000,  0.0050359500000000 ]  - [  -0.0017626800000000, -0.0086476600000000,  0.0050359500000000 ]  - [   0.0000000000000000, -0.0121387900000000, -0.0006673000000000 ]  - [   0.0001946500000000, -0.0088691100000000, -0.0055167600000000 ]  - [  -0.0001946500000000, -0.0088691100000000, -0.0055167600000000 ]  - [   0.0000000000000000,  0.0090663000000000, -0.0001819800000000 ]  - [  -0.0003440300000000,  0.0112740800000000,  0.0091816000000000 ]  - [   0.0003440300000000,  0.0112740800000000,  0.0091816000000000 ]  - [   0.0000000000000000,  0.0189913000000000,  0.0129131900000000 ]  - [  -0.0043619300000000,  0.0144570300000000, -0.0097965800000000 ]  - [   0.0043619300000000,  0.0144570300000000, -0.0097965800000000 ]  - [  -0.0038057000000000, -0.0105732000000000, -0.0169635600000000 ]  - [   0.0038057000000000, -0.0105732000000000, -0.0169635600000000 ]  - [   0.0000000000000000, -0.0104839100000000, -0.0121796300000000 ]  - [   0.0048351000000000, -0.0124217200000000,  0.0322690000000000 ]  - [  -0.0048351000000000, -0.0124217200000000,  0.0322690000000000 ]  - [   0.0000000000000000, -0.0087965800000000,  0.0119590800000000 ]  - [  -0.0000108100000000,  0.0114300100000000,  0.0098653500000000 ]  - [   0.0000108100000000,  0.0114300100000000,  0.0098653500000000 ]  - [   0.0000000000000000,  0.0110672400000000,  0.0107980000000000 ]  - [   0.0027345100000000,  0.0141221200000000, -0.0101364200000000 ]  - [  -0.0027345100000000,  0.0141221200000000, -0.0101364200000000 ]  - [   0.0000000000000000,  0.0113023500000000, -0.0113405600000000 ]  - [   0.0000000000000000, -0.0114029200000000, -0.0147113900000000 ]  - [   0.0004036400000000, -0.0107278000000000, -0.0115485700000000 ]  - [  -0.0004036400000000, -0.0107278000000000, -0.0115485700000000 ]  - [   0.0000000000000000, -0.0110415900000000,  0.0175055500000000 ]  - [  -0.0003679800000000, -0.0111999700000000,  0.0121512300000000 ]  - [   0.0003679800000000, -0.0111999700000000,  0.0121512300000000 ]  - [   0.0000000000000000,  0.0072489800000000, -0.0075713600000000 ]  - [   0.0025313800000000, -0.0017662600000000,  0.0007136200000000 ]  - [  -0.0025313800000000, -0.0017662600000000,  0.0007136200000000 ]  - [   0.0000000000000000, -0.0101261500000000,  0.0595655800000000 ]  - [  -0.0006492000000000,  0.0003794200000000,  0.0034899500000000 ]  - [   0.0006492000000000,  0.0003794200000000,  0.0034899500000000 ]  - [   0.0000000000000000,  0.0039718000000000, -0.0156815300000000 ]  - [  -0.0002845300000000,  0.0007966400000000, -0.0035435100000000 ]  - [   0.0002845300000000,  0.0007966400000000, -0.0035435100000000 ]  - [  -0.0003567100000000,  0.0016610200000000,  0.0029732900000000 ]  - [   0.0003567100000000,  0.0016610200000000,  0.0029732900000000 ]  - [   0.0000000000000000,  0.0000282200000000, -0.0013061700000000 ]  - [   0.0069935900000000, -0.0015923400000000, -0.0036653500000000 ]  - [  -0.0069935900000000, -0.0015923400000000, -0.0036653500000000 ]  - [   0.0000000000000000,  0.0001117100000000, -0.0009035700000000 ]  - [  -0.0010069200000000,  0.0014609400000000, -0.0007221800000000 ]  - [   0.0010069200000000,  0.0014609400000000, -0.0007221800000000 ]  - [   0.0000000000000000, -0.0001088000000000,  0.0017463300000000 ]  - [  -0.0013506300000000, -0.0022760500000000,  0.0002604200000000 ]  - [   0.0013506300000000, -0.0022760500000000,  0.0002604200000000 ]  - [   0.0000000000000000, -0.0011672500000000,  0.0002558800000000 ]  - [   0.0013928100000000,  0.0003422800000000,  0.0028183500000000 ]  - [  -0.0013928100000000,  0.0003422800000000,  0.0028183500000000 ]  - [   0.0000000000000000,  0.0004748900000000,  0.0021990200000000 ]  - [   0.0001377200000000,  0.0007672600000000, -0.0036001300000000 ]  - [  -0.0001377200000000,  0.0007672600000000, -0.0036001300000000 ]  - [   0.0000000000000000,  0.0006497200000000, -0.0025705600000000 ]  - [   0.0000000000000000, -0.0017361800000000,  0.0185456800000000 ]  - [   0.0004477600000000, -0.0014639300000000, -0.0013331100000000 ]  - [  -0.0004477600000000, -0.0014639300000000, -0.0013331100000000 ]  - [   0.0000000000000000,  0.0020780200000000, -0.0001489700000000 ]  - [  -0.0004941500000000,  0.0008085800000000, -0.0004688100000000 ]  - [   0.0004941500000000,  0.0008085800000000, -0.0004688100000000 ]  - [   0.0000000000000000, -0.0017126700000000, -0.0038560700000000 ]  - [   0.0002829500000000, -0.0009526700000000,  0.0018447500000000 ]  - [  -0.0002829500000000, -0.0009526700000000,  0.0018447500000000 ]- atom:    4  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0283942300000000, -0.0560131600000000 ]  - [  -0.0044350800000000, -0.0083422100000000, -0.0021627900000000 ]  - [   0.0044350800000000, -0.0083422100000000, -0.0021627900000000 ]  - [   0.0000000000000000,  0.0019635900000000,  0.1497145200000000 ]  - [   0.0046698800000000,  0.0094907000000000, -0.0046292800000000 ]  - [  -0.0046698800000000,  0.0094907000000000, -0.0046292800000000 ]  - [   0.0000000000000000,  0.0035177600000000, -0.0220771900000000 ]  - [   0.0021321900000000,  0.0083380200000000,  0.0046616600000000 ]  - [  -0.0021321900000000,  0.0083380200000000,  0.0046616600000000 ]  - [  -0.0300406600000000,  0.0197434100000000, -0.0011659600000000 ]  - [   0.0300406600000000,  0.0197434100000000, -0.0011659600000000 ]  - [   0.0000000000000000,  0.0098606700000000, -0.0000504800000000 ]  - [   0.0266452000000000, -0.0131110000000000,  0.0160734400000000 ]  - [  -0.0266452000000000, -0.0131110000000000,  0.0160734400000000 ]  - [   0.0000000000000000, -0.0084189600000000,  0.0089110400000000 ]  - [   0.0019161400000000, -0.0087914000000000, -0.0124405500000000 ]  - [  -0.0019161400000000, -0.0087914000000000, -0.0124405500000000 ]  - [   0.0000000000000000, -0.0084086600000000, -0.0078863000000000 ]  - [   0.0009176600000000, -0.0087046600000000, -0.0030568000000000 ]  - [  -0.0009176600000000, -0.0087046600000000, -0.0030568000000000 ]  - [   0.0000000000000000, -0.0087836300000000, -0.0007637200000000 ]  - [   0.0005686300000000,  0.0095561600000000, -0.0044776800000000 ]  - [  -0.0005686300000000,  0.0095561600000000, -0.0044776800000000 ]  - [   0.0000000000000000,  0.0089202700000000, -0.0062382100000000 ]  - [  -0.0010189000000000,  0.0099721900000000,  0.0050361200000000 ]  - [   0.0010189000000000,  0.0099721900000000,  0.0050361200000000 ]  - [   0.0000000000000000,  0.0089536200000000,  0.0062449200000000 ]  - [   0.0000000000000000, -0.0053402200000000, -0.0108020800000000 ]  - [   0.0011346600000000,  0.0081292500000000,  0.0005578300000000 ]  - [  -0.0011346600000000,  0.0081292500000000,  0.0005578300000000 ]  - [   0.0000000000000000,  0.0320472800000000,  0.0425771700000000 ]  - [  -0.0017611700000000, -0.0087631800000000,  0.0081633000000000 ]  - [   0.0017611700000000, -0.0087631800000000,  0.0081633000000000 ]  - [   0.0000000000000000, -0.0053683800000000, -0.0125360800000000 ]  - [  -0.0001845100000000, -0.0085578800000000, -0.0076997700000000 ]  - [   0.0001845100000000, -0.0085578800000000, -0.0076997700000000 ]  - [   0.0000000000000000,  0.0130095300000000,  0.0226958500000000 ]  - [   0.0003269300000000,  0.0107954000000000,  0.0133714700000000 ]  - [  -0.0003269300000000,  0.0107954000000000,  0.0133714700000000 ]  - [   0.0000000000000000,  0.0038916300000000, -0.0347431900000000 ]  - [   0.0043501800000000,  0.0076543700000000, -0.0126813000000000 ]  - [  -0.0043501800000000,  0.0076543700000000, -0.0126813000000000 ]  - [   0.0038778300000000, -0.0115169400000000, -0.0055518800000000 ]  - [  -0.0038778300000000, -0.0115169400000000, -0.0055518800000000 ]  - [   0.0000000000000000, -0.0115935100000000, -0.0103634400000000 ]  - [  -0.0046402700000000, -0.0097661600000000, -0.0095315700000000 ]  - [   0.0046402700000000, -0.0097661600000000, -0.0095315700000000 ]  - [   0.0000000000000000, -0.0132149700000000,  0.0105626800000000 ]  - [   0.0000238200000000,  0.0106499500000000,  0.0126752900000000 ]  - [  -0.0000238200000000,  0.0106499500000000,  0.0126752900000000 ]  - [   0.0000000000000000,  0.0109998300000000,  0.0117422500000000 ]  - [  -0.0027474700000000,  0.0079635900000000, -0.0123910700000000 ]  - [   0.0027474700000000,  0.0079635900000000, -0.0123910700000000 ]  - [   0.0000000000000000,  0.0107603800000000, -0.0111927700000000 ]  - [   0.0000000000000000, -0.0106647100000000, -0.0078624700000000 ]  - [  -0.0004037500000000, -0.0113410000000000, -0.0109943700000000 ]  - [   0.0004037500000000, -0.0113410000000000, -0.0109943700000000 ]  - [   0.0000000000000000, -0.0109980900000000,  0.0050544400000000 ]  - [   0.0003623400000000, -0.0108722900000000,  0.0103827400000000 ]  - [  -0.0003623400000000, -0.0108722900000000,  0.0103827400000000 ]  - [   0.0000000000000000, -0.0085799900000000,  0.0065797500000000 ]  - [  -0.0025814400000000,  0.0000178800000000, -0.0007219500000000 ]  - [   0.0025814400000000,  0.0000178800000000, -0.0007219500000000 ]  - [   0.0000000000000000,  0.0089159500000000, -0.0514579800000000 ]  - [   0.0006430000000000,  0.0005324700000000,  0.0009222000000000 ]  - [  -0.0006430000000000,  0.0005324700000000,  0.0009222000000000 ]  - [   0.0000000000000000, -0.0030006900000000,  0.0111898000000000 ]  - [   0.0002799100000000,  0.0001189400000000, -0.0008497200000000 ]  - [  -0.0002799100000000,  0.0001189400000000, -0.0008497200000000 ]  - [   0.0003658000000000, -0.0025726600000000, -0.0073949500000000 ]  - [  -0.0003658000000000, -0.0025726600000000, -0.0073949500000000 ]  - [   0.0000000000000000, -0.0009266600000000, -0.0031009000000000 ]  - [  -0.0069510500000000,  0.0033715000000000,  0.0036838200000000 ]  - [   0.0069510500000000,  0.0033715000000000,  0.0036838200000000 ]  - [   0.0000000000000000,  0.0016504800000000,  0.0009254200000000 ]  - [   0.0010278700000000, -0.0023587500000000,  0.0050886300000000 ]  - [  -0.0010278700000000, -0.0023587500000000,  0.0050886300000000 ]  - [   0.0000000000000000, -0.0008018300000000,  0.0026382400000000 ]  - [   0.0013374900000000,  0.0004964500000000, -0.0002697300000000 ]  - [  -0.0013374900000000,  0.0004964500000000, -0.0002697300000000 ]  - [   0.0000000000000000, -0.0006057900000000, -0.0002616700000000 ]  - [  -0.0014068900000000,  0.0006024900000000,  0.0015744500000000 ]  - [   0.0014068900000000,  0.0006024900000000,  0.0015744500000000 ]  - [   0.0000000000000000,  0.0004464300000000,  0.0022016600000000 ]  - [  -0.0001339700000000,  0.0001191100000000, -0.0007973100000000 ]  - [   0.0001339700000000,  0.0001191100000000, -0.0007973100000000 ]  - [   0.0000000000000000,  0.0002523000000000, -0.0018248100000000 ]  - [   0.0000000000000000,  0.0005667100000000, -0.0229400300000000 ]  - [  -0.0004350900000000,  0.0005104100000000, -0.0030595100000000 ]  - [   0.0004350900000000,  0.0005104100000000, -0.0030595100000000 ]  - [   0.0000000000000000, -0.0003010400000000,  0.0001809900000000 ]  - [   0.0004984400000000,  0.0009632700000000,  0.0004757400000000 ]  - [  -0.0004984400000000,  0.0009632700000000,  0.0004757400000000 ]  - [   0.0000000000000000,  0.0008760200000000,  0.0082128200000000 ]  - [  -0.0002857800000000,  0.0000570100000000,  0.0025509600000000 ]  - [   0.0002857800000000,  0.0000570100000000,  0.0025509600000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0229534000000000, -0.0090170500000000, -0.0002321100000000 ]  - [  -0.0082170400000000, -0.0056608200000000,  0.0081221300000000 ]  - [  -0.0083048800000000, -0.0121762600000000, -0.0080367000000000 ]  - [   0.0042131500000000,  0.0087152400000000, -0.0066524500000000 ]  - [  -0.0021349700000000,  0.0089323700000000, -0.0062794900000000 ]  - [  -0.0021612800000000,  0.0084714500000000, -0.0069502400000000 ]  - [   0.0343620500000000,  0.0085298900000000,  0.0067510100000000 ]  - [  -0.0107953400000000,  0.0151002900000000,  0.0022414000000000 ]  - [  -0.0108291300000000,  0.0023721000000000,  0.0109521800000000 ]  - [   0.0030742600000000,  0.0074802200000000,  0.0108209400000000 ]  - [   0.0031324800000000,  0.0104355600000000, -0.0109188700000000 ]  - [  -0.0048609600000000,  0.0089300900000000, -0.0000307800000000 ]  - [   0.0027188400000000, -0.0074812500000000,  0.0027603600000000 ]  - [   0.0028301100000000, -0.0099058700000000,  0.0104468800000000 ]  - [  -0.0042845900000000, -0.0087044200000000,  0.0066142500000000 ]  - [   0.0331853300000000, -0.0243538900000000, -0.0110788800000000 ]  - [   0.0375782100000000,  0.0082622400000000, -0.0015833900000000 ]  - [  -0.0236781200000000, -0.0087213300000000, -0.0066296500000000 ]  - [   0.0010857300000000, -0.0036052900000000, -0.0051389700000000 ]  - [   0.0011098400000000, -0.0142968500000000,  0.0052220400000000 ]  - [  -0.0023146700000000, -0.0089340100000000,  0.0000170900000000 ]  - [   0.0009609900000000,  0.0109175200000000, -0.0065981500000000 ]  - [   0.0009909800000000,  0.0064918200000000, -0.0066317400000000 ]  - [  -0.0019882200000000,  0.0087030100000000, -0.0066107300000000 ]  - [   0.0018531700000000,  0.0193059900000000,  0.0093419000000000 ]  - [   0.0018951100000000, -0.0020168300000000,  0.0038609700000000 ]  - [  -0.0037660800000000,  0.0086871700000000,  0.0066050000000000 ]  - [   0.0021818200000000,  0.0088829300000000,  0.0000254000000000 ]  - [  -0.0010888200000000,  0.0099581500000000, -0.0014913900000000 ]  - [  -0.0011032000000000,  0.0078935300000000,  0.0014645600000000 ]  - [   0.0025819100000000, -0.0087711800000000,  0.0065951900000000 ]  - [  -0.0012443500000000, -0.0071845000000000,  0.0070139400000000 ]  - [  -0.0012607500000000, -0.0102239300000000,  0.0062104000000000 ]  - [   0.0042529200000000, -0.0088152000000000, -0.0066193000000000 ]  - [  -0.0017725100000000, -0.0060969600000000, -0.0062391000000000 ]  - [  -0.0017942000000000, -0.0113110500000000, -0.0069742400000000 ]  - [  -0.2289579100000000,  0.0097773600000000,  0.0105983600000000 ]  - [   0.0349193200000000, -0.0007269100000000,  0.0064933300000000 ]  - [   0.0346014300000000,  0.0226598600000000,  0.0159764300000000 ]  - [  -0.0045247900000000,  0.0109920400000000, -0.0111764000000000 ]  - [   0.0030570800000000,  0.0123660900000000, -0.0138989200000000 ]  - [   0.0030943700000000,  0.0097128800000000, -0.0086511800000000 ]  - [   0.0119312700000000,  0.0047610400000000, -0.0326930700000000 ]  - [   0.0118713700000000, -0.0270734200000000,  0.0104293900000000 ]  - [   0.0114974800000000, -0.0110538600000000, -0.0112444400000000 ]  - [  -0.0014085100000000, -0.0094018700000000,  0.0093434600000000 ]  - [  -0.0014616500000000, -0.0126782100000000,  0.0132249100000000 ]  - [   0.0030437700000000, -0.0110370800000000,  0.0112749600000000 ]  - [  -0.0016403700000000,  0.0088349900000000,  0.0113491600000000 ]  - [  -0.0016869500000000,  0.0132716600000000,  0.0111774100000000 ]  - [   0.0027277600000000,  0.0110380400000000,  0.0112651400000000 ]  - [  -0.0008435700000000,  0.0101487100000000, -0.0100626800000000 ]  - [  -0.0008757800000000,  0.0119330000000000, -0.0124889500000000 ]  - [   0.0018216700000000,  0.0110354600000000, -0.0112723900000000 ]  - [  -0.0051696800000000, -0.0109928400000000, -0.0112674100000000 ]  - [   0.0026078000000000, -0.0107114400000000, -0.0111107700000000 ]  - [   0.0026090500000000, -0.0113406800000000, -0.0114199900000000 ]  - [  -0.0020493800000000, -0.0110170900000000,  0.0112648300000000 ]  - [   0.0010611700000000, -0.0114204600000000,  0.0116491700000000 ]  - [   0.0010732200000000, -0.0106489100000000,  0.0108928500000000 ]  - [  -0.0060449000000000, -0.0008967400000000, -0.0000213500000000 ]  - [   0.0040972200000000, -0.0003906600000000,  0.0016680900000000 ]  - [   0.0041053600000000, -0.0013833000000000, -0.0016458800000000 ]  - [   0.0002171700000000,  0.0005770600000000,  0.0023146600000000 ]  - [   0.0006420900000000, -0.0013676400000000,  0.0003780900000000 ]  - [   0.0006471300000000,  0.0022684600000000,  0.0040047400000000 ]  - [  -0.0061927500000000,  0.0006555300000000, -0.0021894600000000 ]  - [   0.0005125700000000, -0.0025780000000000, -0.0023885800000000 ]  - [   0.0005129300000000,  0.0034737600000000, -0.0020235800000000 ]  - [  -0.0001805800000000, -0.0023838900000000, -0.0041294400000000 ]  - [  -0.0001858200000000,  0.0014733700000000, -0.0002312500000000 ]  - [   0.0006880500000000, -0.0004536600000000, -0.0021910300000000 ]  - [   0.0155034000000000,  0.0080403500000000,  0.0217798100000000 ]  - [   0.0154950700000000, -0.0063318600000000, -0.0220445500000000 ]  - [   0.0085371400000000,  0.0008715800000000, -0.0000183900000000 ]  - [   0.0011869500000000, -0.0079155800000000, -0.0085544400000000 ]  - [   0.0011438500000000,  0.0071245400000000,  0.0131594500000000 ]  - [   0.0014425900000000, -0.0004469800000000,  0.0022182800000000 ]  - [  -0.0008497600000000, -0.0016551600000000, -0.0006069300000000 ]  - [  -0.0008753000000000, -0.0001018900000000,  0.0006160000000000 ]  - [   0.0016908300000000, -0.0008830200000000,  0.0000038500000000 ]  - [  -0.0001863900000000, -0.0001958000000000,  0.0031929100000000 ]  - [  -0.0001986900000000,  0.0010850200000000,  0.0011897300000000 ]  - [   0.0005697500000000,  0.0004546700000000,  0.0021934700000000 ]  - [   0.0037864000000000, -0.0153633300000000, -0.0002917000000000 ]  - [   0.0037658700000000,  0.0165068600000000, -0.0041804300000000 ]  - [   0.0017465600000000,  0.0004795900000000, -0.0022049000000000 ]  - [  -0.0005510700000000, -0.0004363600000000, -0.0021895100000000 ]  - [   0.0002850000000000, -0.0008583400000000, -0.0021617400000000 ]  - [   0.0002884500000000, -0.0000476900000000, -0.0022271800000000 ]  - [  -0.0027530300000000,  0.0008997700000000, -0.0000002000000000 ]  - [   0.0014118200000000,  0.0010043800000000, -0.0003467900000000 ]  - [   0.0014159200000000,  0.0007696700000000,  0.0003403000000000 ]  - [  -0.0003575000000000, -0.0002853300000000,  0.0021593400000000 ]  - [   0.0010116800000000, -0.0034205000000000,  0.0028358800000000 ]  - [   0.0010126300000000,  0.0024898700000000,  0.0015700600000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0233354300000000,  0.0123053800000000 ]  - [   0.0029472400000000, -0.0076132500000000,  0.0041686300000000 ]  - [  -0.0029472400000000, -0.0076132500000000,  0.0041686300000000 ]  - [   0.0000000000000000,  0.0093034000000000, -0.0085881100000000 ]  - [   0.0008993800000000,  0.0082747400000000, -0.0063726300000000 ]  - [  -0.0008993800000000,  0.0082747400000000, -0.0063726300000000 ]  - [   0.0000000000000000,  0.0285319300000000, -0.0000534200000000 ]  - [   0.0049573500000000,  0.0105518500000000,  0.0032169600000000 ]  - [  -0.0049573500000000,  0.0105518500000000,  0.0032169600000000 ]  - [  -0.0008644600000000,  0.0140633300000000, -0.0017688600000000 ]  - [   0.0008644600000000,  0.0140633300000000, -0.0017688600000000 ]  - [   0.0000000000000000,  0.0095900800000000, -0.0015189900000000 ]  - [  -0.0025808900000000, -0.0069961200000000,  0.0070707400000000 ]  - [   0.0025808900000000, -0.0069961200000000,  0.0070707400000000 ]  - [   0.0000000000000000, -0.0084167200000000,  0.0071597300000000 ]  - [   0.0046424400000000,  0.0114888600000000, -0.0052925200000000 ]  - [  -0.0046424400000000,  0.0114888600000000, -0.0052925200000000 ]  - [   0.0000000000000000, -0.0104228100000000, -0.0088122200000000 ]  - [  -0.0001912500000000, -0.0133376600000000,  0.0040416500000000 ]  - [   0.0001912500000000, -0.0133376600000000,  0.0040416500000000 ]  - [   0.0000000000000000, -0.0095107800000000,  0.0009510500000000 ]  - [  -0.0009727400000000,  0.0088031300000000, -0.0062205100000000 ]  - [   0.0009727400000000,  0.0088031300000000, -0.0062205100000000 ]  - [   0.0000000000000000,  0.0086249700000000, -0.0065755700000000 ]  - [  -0.0006257800000000,  0.0019648600000000,  0.0035284000000000 ]  - [   0.0006257800000000,  0.0019648600000000,  0.0035284000000000 ]  - [   0.0000000000000000,  0.0075099500000000,  0.0063375800000000 ]  - [   0.0000000000000000,  0.0042099500000000,  0.0030245600000000 ]  - [   0.0005207600000000,  0.0085893300000000, -0.0007814400000000 ]  - [  -0.0005207600000000,  0.0085893300000000, -0.0007814400000000 ]  - [   0.0000000000000000, -0.0128027500000000,  0.0062373900000000 ]  - [   0.0004603400000000, -0.0087513200000000,  0.0069161300000000 ]  - [  -0.0004603400000000, -0.0087513200000000,  0.0069161300000000 ]  - [   0.0000000000000000, -0.0215271800000000, -0.0065958000000000 ]  - [   0.0008738300000000, -0.0092440500000000, -0.0064446500000000 ]  - [  -0.0008738300000000, -0.0092440500000000, -0.0064446500000000 ]  - [   0.0000000000000000, -0.1164447900000000,  0.0005177800000000 ]  - [   0.0116700300000000,  0.0048848600000000,  0.0089714600000000 ]  - [  -0.0116700300000000,  0.0048848600000000,  0.0089714600000000 ]  - [   0.0000000000000000,  0.0061748100000000, -0.0067990300000000 ]  - [  -0.0013239400000000,  0.0112333400000000, -0.0119607900000000 ]  - [   0.0013239400000000,  0.0112333400000000, -0.0119607900000000 ]  - [   0.0158897600000000, -0.0146929400000000, -0.0174017500000000 ]  - [  -0.0158897600000000, -0.0146929400000000, -0.0174017500000000 ]  - [   0.0000000000000000, -0.0124852900000000, -0.0094091300000000 ]  - [   0.0016384800000000, -0.0114215100000000,  0.0118406900000000 ]  - [  -0.0016384800000000, -0.0114215100000000,  0.0118406900000000 ]  - [   0.0000000000000000, -0.0112761100000000,  0.0115066000000000 ]  - [   0.0022022100000000,  0.0133282400000000,  0.0112900800000000 ]  - [  -0.0022022100000000,  0.0133282400000000,  0.0112900800000000 ]  - [   0.0000000000000000,  0.0115324400000000,  0.0111354300000000 ]  - [   0.0008884800000000,  0.0116846600000000, -0.0121181700000000 ]  - [  -0.0008884800000000,  0.0116846600000000, -0.0121181700000000 ]  - [   0.0000000000000000,  0.0111767900000000, -0.0116433000000000 ]  - [   0.0000000000000000, -0.0054662500000000, -0.0110915800000000 ]  - [   0.0003180400000000, -0.0099980800000000, -0.0109986000000000 ]  - [  -0.0003180400000000, -0.0099980800000000, -0.0109986000000000 ]  - [   0.0000000000000000, -0.0099818400000000,  0.0105146000000000 ]  - [  -0.0003855500000000, -0.0111702700000000,  0.0113980400000000 ]  - [   0.0003855500000000, -0.0111702700000000,  0.0113980400000000 ]  - [   0.0000000000000000, -0.0030536200000000, -0.0022788000000000 ]  - [  -0.0013257400000000, -0.0015440600000000,  0.0000083900000000 ]  - [   0.0013257400000000, -0.0015440600000000,  0.0000083900000000 ]  - [   0.0000000000000000,  0.0066168200000000,  0.0081524000000000 ]  - [  -0.0001277400000000,  0.0001235600000000,  0.0016400200000000 ]  - [   0.0001277400000000,  0.0001235600000000,  0.0016400200000000 ]  - [   0.0000000000000000,  0.0369569900000000,  0.0020069800000000 ]  - [  -0.0003019600000000,  0.0001139500000000, -0.0020327900000000 ]  - [   0.0003019600000000,  0.0001139500000000, -0.0020327900000000 ]  - [   0.0003549000000000, -0.0013089000000000, -0.0016384500000000 ]  - [  -0.0003549000000000, -0.0013089000000000, -0.0016384500000000 ]  - [   0.0000000000000000, -0.0004745300000000, -0.0019800600000000 ]  - [   0.0071123000000000, -0.0039807200000000,  0.0011831200000000 ]  - [  -0.0071123000000000, -0.0039807200000000,  0.0011831200000000 ]  - [   0.0000000000000000,  0.0004664100000000, -0.0021651200000000 ]  - [  -0.0034507700000000,  0.0009786900000000,  0.0082977900000000 ]  - [   0.0034507700000000,  0.0009786900000000,  0.0082977900000000 ]  - [   0.0000000000000000, -0.0001081500000000,  0.0034828800000000 ]  - [   0.0009208900000000, -0.0002229600000000,  0.0004125300000000 ]  - [  -0.0009208900000000, -0.0002229600000000,  0.0004125300000000 ]  - [   0.0000000000000000, -0.0007406800000000,  0.0002591800000000 ]  - [   0.0001985700000000, -0.0001729200000000,  0.0009849700000000 ]  - [  -0.0001985700000000, -0.0001729200000000,  0.0009849700000000 ]  - [   0.0000000000000000,  0.0002743900000000,  0.0018996700000000 ]  - [  -0.0062118600000000,  0.0107180300000000, -0.0030831900000000 ]  - [   0.0062118600000000,  0.0107180300000000, -0.0030831900000000 ]  - [   0.0000000000000000,  0.0016858100000000, -0.0024294800000000 ]  - [   0.0000000000000000,  0.0006662700000000, -0.0024559800000000 ]  - [  -0.0001285300000000, -0.0001204400000000, -0.0021599900000000 ]  - [   0.0001285300000000, -0.0001204400000000, -0.0021599900000000 ]  - [   0.0000000000000000,  0.0032190600000000, -0.0001380600000000 ]  - [   0.0001349500000000,  0.0013959700000000, -0.0003272000000000 ]  - [  -0.0001349500000000,  0.0013959700000000, -0.0003272000000000 ]  - [   0.0000000000000000,  0.0188528500000000, -0.0006804700000000 ]  - [  -0.0003175800000000, -0.0006306000000000,  0.0024938800000000 ]  - [   0.0003175800000000, -0.0006306000000000,  0.0024938800000000 ]- atom:   37  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0417453000000000, -0.0135442600000000 ]  - [  -0.0029269100000000, -0.0102485600000000, -0.0041843900000000 ]  - [   0.0029269100000000, -0.0102485600000000, -0.0041843900000000 ]  - [   0.0000000000000000,  0.0080943300000000, -0.0046448300000000 ]  - [  -0.0009004800000000,  0.0091324300000000, -0.0068527100000000 ]  - [   0.0009004800000000,  0.0091324300000000, -0.0068527100000000 ]  - [   0.0000000000000000, -0.0127124200000000,  0.0150634000000000 ]  - [  -0.0049612600000000,  0.0068412600000000,  0.0100215400000000 ]  - [   0.0049612600000000,  0.0068412600000000,  0.0100215400000000 ]  - [   0.0008803500000000,  0.0038003400000000,  0.0017686300000000 ]  - [  -0.0008803500000000,  0.0038003400000000,  0.0017686300000000 ]  - [   0.0000000000000000,  0.0082606100000000,  0.0015301100000000 ]  - [   0.0025853800000000, -0.0104014500000000,  0.0061262800000000 ]  - [  -0.0025853800000000, -0.0104014500000000,  0.0061262800000000 ]  - [   0.0000000000000000, -0.0089902300000000,  0.0060530100000000 ]  - [  -0.0047803200000000, -0.0290881400000000, -0.0079519000000000 ]  - [   0.0047803200000000, -0.0290881400000000, -0.0079519000000000 ]  - [   0.0000000000000000, -0.0069650500000000, -0.0043943200000000 ]  - [   0.0001978600000000, -0.0045046900000000, -0.0040217300000000 ]  - [  -0.0001978600000000, -0.0045046900000000, -0.0040217300000000 ]  - [   0.0000000000000000, -0.0083225100000000, -0.0009482800000000 ]  - [   0.0009798100000000,  0.0086253900000000, -0.0070015200000000 ]  - [  -0.0009798100000000,  0.0086253900000000, -0.0070015200000000 ]  - [   0.0000000000000000,  0.0088012200000000, -0.0066449800000000 ]  - [   0.0006365000000000,  0.0154715500000000,  0.0096874100000000 ]  - [  -0.0006365000000000,  0.0154715500000000,  0.0096874100000000 ]  - [   0.0000000000000000,  0.0099222100000000,  0.0068808100000000 ]  - [   0.0000000000000000,  0.0136835800000000, -0.0030759100000000 ]  - [  -0.0005269900000000,  0.0092498100000000,  0.0007739100000000 ]  - [   0.0005269900000000,  0.0092498100000000,  0.0007739100000000 ]  - [   0.0000000000000000, -0.0046224700000000,  0.0069752700000000 ]  - [  -0.0004639900000000, -0.0086766200000000,  0.0063036700000000 ]  - [   0.0004639900000000, -0.0086766200000000,  0.0063036700000000 ]  - [   0.0000000000000000,  0.0042193700000000, -0.0066405100000000 ]  - [  -0.0008870800000000, -0.0081868200000000, -0.0067732000000000 ]  - [   0.0008870800000000, -0.0081868200000000, -0.0067732000000000 ]  - [   0.0000000000000000,  0.1412041500000000,  0.0215498500000000 ]  - [  -0.0117111300000000,  0.0172447900000000,  0.0135817500000000 ]  - [   0.0117111300000000,  0.0172447900000000,  0.0135817500000000 ]  - [   0.0000000000000000,  0.0159249000000000, -0.0157376800000000 ]  - [   0.0013249500000000,  0.0108338400000000, -0.0105687000000000 ]  - [  -0.0013249500000000,  0.0108338400000000, -0.0105687000000000 ]  - [  -0.0159415000000000, -0.0072698800000000, -0.0051819600000000 ]  - [   0.0159415000000000, -0.0072698800000000, -0.0051819600000000 ]  - [   0.0000000000000000, -0.0095789300000000, -0.0131497700000000 ]  - [  -0.0016391200000000, -0.0106436900000000,  0.0107041200000000 ]  - [   0.0016391200000000, -0.0106436900000000,  0.0107041200000000 ]  - [   0.0000000000000000, -0.0107901600000000,  0.0110333300000000 ]  - [  -0.0022314100000000,  0.0087295300000000,  0.0112441500000000 ]  - [   0.0022314100000000,  0.0087295300000000,  0.0112441500000000 ]  - [   0.0000000000000000,  0.0105296900000000,  0.0113976300000000 ]  - [  -0.0008961700000000,  0.0103836800000000, -0.0104267200000000 ]  - [   0.0008961700000000,  0.0103836800000000, -0.0104267200000000 ]  - [   0.0000000000000000,  0.0108908300000000, -0.0108939000000000 ]  - [   0.0000000000000000, -0.0166336700000000, -0.0114351900000000 ]  - [  -0.0003081400000000, -0.0120695200000000, -0.0115331400000000 ]  - [   0.0003081400000000, -0.0120695200000000, -0.0115331400000000 ]  - [   0.0000000000000000, -0.0120957000000000,  0.0120438500000000 ]  - [   0.0003859000000000, -0.0108954400000000,  0.0111412900000000 ]  - [  -0.0003859000000000, -0.0108954400000000,  0.0111412900000000 ]  - [   0.0000000000000000,  0.0012971700000000,  0.0023069000000000 ]  - [   0.0013312000000000, -0.0002313900000000, -0.0000104900000000 ]  - [  -0.0013312000000000, -0.0002313900000000, -0.0000104900000000 ]  - [   0.0000000000000000, -0.0056472200000000, -0.0037174200000000 ]  - [   0.0001268000000000,  0.0007936500000000,  0.0027587800000000 ]  - [  -0.0001268000000000,  0.0007936500000000,  0.0027587800000000 ]  - [   0.0000000000000000, -0.0367534000000000, -0.0065908400000000 ]  - [   0.0003058000000000,  0.0008097800000000, -0.0023691200000000 ]  - [  -0.0003058000000000,  0.0008097800000000, -0.0023691200000000 ]  - [  -0.0003574700000000,  0.0003914300000000, -0.0027519400000000 ]  - [   0.0003574700000000,  0.0003914300000000, -0.0027519400000000 ]  - [   0.0000000000000000, -0.0004403200000000, -0.0024133200000000 ]  - [  -0.0070402200000000,  0.0058132600000000, -0.0010928600000000 ]  - [   0.0070402200000000,  0.0058132600000000, -0.0010928600000000 ]  - [   0.0000000000000000,  0.0013007500000000,  0.0021772500000000 ]  - [   0.0034198700000000, -0.0018995500000000, -0.0038686900000000 ]  - [  -0.0034198700000000, -0.0018995500000000, -0.0038686900000000 ]  - [   0.0000000000000000, -0.0008117100000000,  0.0009059000000000 ]  - [  -0.0009370700000000, -0.0015539500000000, -0.0004077800000000 ]  - [   0.0009370700000000, -0.0015539500000000, -0.0004077800000000 ]  - [   0.0000000000000000, -0.0010302300000000, -0.0002575100000000 ]  - [  -0.0001977900000000,  0.0010650200000000,  0.0034062000000000 ]  - [   0.0001977900000000,  0.0010650200000000,  0.0034062000000000 ]  - [   0.0000000000000000,  0.0006255900000000,  0.0024951000000000 ]  - [   0.0061526000000000, -0.0097542500000000, -0.0013399000000000 ]  - [  -0.0061526000000000, -0.0097542500000000, -0.0013399000000000 ]  - [   0.0000000000000000, -0.0007921700000000, -0.0019682700000000 ]  - [   0.0000000000000000, -0.0015531800000000, -0.0019237000000000 ]  - [   0.0001294300000000, -0.0007844800000000, -0.0022288500000000 ]  - [  -0.0001294300000000, -0.0007844800000000, -0.0022288500000000 ]  - [   0.0000000000000000, -0.0014554800000000,  0.0001256500000000 ]  - [  -0.0001219600000000,  0.0003775500000000,  0.0003229000000000 ]  - [   0.0001219600000000,  0.0003775500000000,  0.0003229000000000 ]  - [   0.0000000000000000, -0.0199899600000000,  0.0050750600000000 ]  - [   0.0003163500000000, -0.0002670300000000,  0.0019087200000000 ]  - [  -0.0003163500000000, -0.0002670300000000,  0.0019087200000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0037741000000000,  0.0302247500000000 ]  - [   0.0089785300000000, -0.0096974300000000,  0.0050095300000000 ]  - [  -0.0089785300000000, -0.0096974300000000,  0.0050095300000000 ]  - [   0.0000000000000000,  0.0096309400000000, -0.0180034200000000 ]  - [   0.0008112200000000,  0.0078804100000000, -0.0087025600000000 ]  - [  -0.0008112200000000,  0.0078804100000000, -0.0087025600000000 ]  - [   0.0000000000000000,  0.0160863500000000,  0.0308028700000000 ]  - [  -0.0062710500000000,  0.0111757000000000,  0.0080657300000000 ]  - [   0.0062710500000000,  0.0111757000000000,  0.0080657300000000 ]  - [   0.0014412700000000,  0.0069316200000000, -0.0105368500000000 ]  - [  -0.0014412700000000,  0.0069316200000000, -0.0105368500000000 ]  - [   0.0000000000000000,  0.0078131300000000, -0.0038240900000000 ]  - [  -0.0058119900000000, -0.0056518600000000,  0.0009106100000000 ]  - [   0.0058119900000000, -0.0056518600000000,  0.0009106100000000 ]  - [   0.0000000000000000, -0.0080325000000000,  0.0057014400000000 ]  - [  -0.0005421200000000, -0.0090290900000000,  0.0142406400000000 ]  - [   0.0005421200000000, -0.0090290900000000,  0.0142406400000000 ]  - [   0.0000000000000000, -0.0107109900000000, -0.0059089600000000 ]  - [  -0.0006310300000000, -0.0082113200000000,  0.0026493400000000 ]  - [   0.0006310300000000, -0.0082113200000000,  0.0026493400000000 ]  - [   0.0000000000000000, -0.0090597600000000,  0.0014884500000000 ]  - [  -0.0004857000000000,  0.0090584100000000, -0.0080126000000000 ]  - [   0.0004857000000000,  0.0090584100000000, -0.0080126000000000 ]  - [   0.0000000000000000,  0.0085843100000000, -0.0070811800000000 ]  - [   0.0004778800000000,  0.0061360200000000,  0.0077491600000000 ]  - [  -0.0004778800000000,  0.0061360200000000,  0.0077491600000000 ]  - [   0.0000000000000000,  0.0081440400000000,  0.0065365800000000 ]  - [   0.0000000000000000,  0.0106699900000000, -0.0077851700000000 ]  - [  -0.0000884500000000,  0.0093374600000000, -0.0018825200000000 ]  - [   0.0000884500000000,  0.0093374600000000, -0.0018825200000000 ]  - [   0.0000000000000000, -0.0175981300000000,  0.0032017600000000 ]  - [   0.0007662800000000, -0.0092773200000000,  0.0063320400000000 ]  - [  -0.0007662800000000, -0.0092773200000000,  0.0063320400000000 ]  - [   0.0000000000000000, -0.0104234700000000, -0.0003744000000000 ]  - [  -0.0000051000000000, -0.0081738400000000, -0.0057275800000000 ]  - [   0.0000051000000000, -0.0081738400000000, -0.0057275800000000 ]  - [   0.0000000000000000,  0.0022554700000000, -0.1330149200000000 ]  - [   0.0046698200000000,  0.0087734300000000,  0.0067979500000000 ]  - [  -0.0046698200000000,  0.0087734300000000,  0.0067979500000000 ]  - [   0.0000000000000000,  0.0066061500000000,  0.0019401200000000 ]  - [  -0.0026104200000000,  0.0117259100000000, -0.0101480600000000 ]  - [   0.0026104200000000,  0.0117259100000000, -0.0101480600000000 ]  - [  -0.0216485600000000, -0.0171536200000000, -0.0007389700000000 ]  - [   0.0216485600000000, -0.0171536200000000, -0.0007389700000000 ]  - [   0.0000000000000000, -0.0091550900000000, -0.0092085600000000 ]  - [   0.0019264700000000, -0.0115977800000000,  0.0161561800000000 ]  - [  -0.0019264700000000, -0.0115977800000000,  0.0161561800000000 ]  - [   0.0000000000000000, -0.0112675900000000,  0.0132685800000000 ]  - [  -0.0000848300000000,  0.0110518000000000,  0.0101357300000000 ]  - [   0.0000848300000000,  0.0110518000000000,  0.0101357300000000 ]  - [   0.0000000000000000,  0.0109003600000000,  0.0108127900000000 ]  - [   0.0012033200000000,  0.0118717200000000, -0.0115002800000000 ]  - [  -0.0012033200000000,  0.0118717200000000, -0.0115002800000000 ]  - [   0.0000000000000000,  0.0114065300000000, -0.0115539300000000 ]  - [   0.0000000000000000, -0.0108724900000000, -0.0112487200000000 ]  - [   0.0001558000000000, -0.0107713300000000, -0.0110499500000000 ]  - [  -0.0001558000000000, -0.0107713300000000, -0.0110499500000000 ]  - [   0.0000000000000000, -0.0102808600000000,  0.0143968300000000 ]  - [  -0.0003750600000000, -0.0111598800000000,  0.0119537300000000 ]  - [   0.0003750600000000, -0.0111598800000000,  0.0119537300000000 ]  - [   0.0000000000000000, -0.0009450400000000,  0.0069791800000000 ]  - [   0.0011787700000000, -0.0007203800000000,  0.0025377100000000 ]  - [  -0.0011787700000000, -0.0007203800000000,  0.0025377100000000 ]  - [   0.0000000000000000,  0.0203761900000000,  0.0202933900000000 ]  - [  -0.0005277400000000,  0.0009893500000000,  0.0024226700000000 ]  - [   0.0005277400000000,  0.0009893500000000,  0.0024226700000000 ]  - [   0.0000000000000000,  0.0100209500000000, -0.0170580600000000 ]  - [  -0.0003541500000000,  0.0003743400000000, -0.0047053600000000 ]  - [   0.0003541500000000,  0.0003743400000000, -0.0047053600000000 ]  - [   0.0001816100000000, -0.0000623800000000,  0.0010084600000000 ]  - [  -0.0001816100000000, -0.0000623800000000,  0.0010084600000000 ]  - [   0.0000000000000000, -0.0000768600000000, -0.0009980300000000 ]  - [   0.0271143400000000,  0.0045172200000000,  0.0108761000000000 ]  - [  -0.0271143400000000,  0.0045172200000000,  0.0108761000000000 ]  - [   0.0000000000000000, -0.0004667900000000, -0.0010788100000000 ]  - [  -0.0032925700000000,  0.0021667300000000,  0.0041640300000000 ]  - [   0.0032925700000000,  0.0021667300000000,  0.0041640300000000 ]  - [   0.0000000000000000,  0.0000284500000000,  0.0023634700000000 ]  - [  -0.0000943400000000, -0.0011077800000000,  0.0007701700000000 ]  - [   0.0000943400000000, -0.0011077800000000,  0.0007701700000000 ]  - [   0.0000000000000000, -0.0009646100000000,  0.0004825100000000 ]  - [   0.0005547300000000, -0.0014249500000000,  0.0023227800000000 ]  - [  -0.0005547300000000, -0.0014249500000000,  0.0023227800000000 ]  - [   0.0000000000000000, -0.0001366700000000,  0.0020082800000000 ]  - [   0.0005252900000000,  0.0011713400000000, -0.0048175600000000 ]  - [  -0.0005252900000000,  0.0011713400000000, -0.0048175600000000 ]  - [   0.0000000000000000,  0.0014571500000000, -0.0026933900000000 ]  - [   0.0000000000000000,  0.0026956900000000,  0.0021888100000000 ]  - [  -0.0000687900000000,  0.0000660000000000, -0.0015475100000000 ]  - [   0.0000687900000000,  0.0000660000000000, -0.0015475100000000 ]  - [   0.0000000000000000,  0.0010276400000000, -0.0012186000000000 ]  - [  -0.0002610200000000,  0.0008014800000000, -0.0005634800000000 ]  - [   0.0002610200000000,  0.0008014800000000, -0.0005634800000000 ]  - [   0.0000000000000000, -0.0198256200000000,  0.0056336700000000 ]  - [   0.0005651200000000, -0.0020463500000000,  0.0021941100000000 ]  - [  -0.0005651200000000, -0.0020463500000000,  0.0021941100000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0159524400000000, -0.0327691900000000 ]  - [  -0.0090369800000000, -0.0081727900000000, -0.0050760100000000 ]  - [   0.0090369800000000, -0.0081727900000000, -0.0050760100000000 ]  - [   0.0000000000000000,  0.0077614700000000,  0.0048788300000000 ]  - [  -0.0008294200000000,  0.0095494800000000, -0.0045120800000000 ]  - [   0.0008294200000000,  0.0095494800000000, -0.0045120800000000 ]  - [   0.0000000000000000,  0.0000204800000000, -0.0168521800000000 ]  - [   0.0062541400000000,  0.0061953400000000,  0.0051815700000000 ]  - [  -0.0062541400000000,  0.0061953400000000,  0.0051815700000000 ]  - [  -0.0014250200000000,  0.0108764300000000,  0.0106106200000000 ]  - [   0.0014250200000000,  0.0108764300000000,  0.0106106200000000 ]  - [   0.0000000000000000,  0.0100245800000000,  0.0038613400000000 ]  - [   0.0058902800000000, -0.0117980100000000,  0.0123201100000000 ]  - [  -0.0058902800000000, -0.0117980100000000,  0.0123201100000000 ]  - [   0.0000000000000000, -0.0093928100000000,  0.0075174600000000 ]  - [   0.0003855300000000, -0.0083989100000000, -0.0275584200000000 ]  - [  -0.0003855300000000, -0.0083989100000000, -0.0275584200000000 ]  - [   0.0000000000000000, -0.0066847700000000, -0.0073052700000000 ]  - [   0.0006309900000000, -0.0096039300000000, -0.0027180900000000 ]  - [  -0.0006309900000000, -0.0096039300000000, -0.0027180900000000 ]  - [   0.0000000000000000, -0.0087782400000000, -0.0015111800000000 ]  - [   0.0004997100000000,  0.0083537100000000, -0.0052024400000000 ]  - [  -0.0004997100000000,  0.0083537100000000, -0.0052024400000000 ]  - [   0.0000000000000000,  0.0088314800000000, -0.0061364700000000 ]  - [  -0.0004859000000000,  0.0113392500000000,  0.0054946800000000 ]  - [   0.0004859000000000,  0.0113392500000000,  0.0054946800000000 ]  - [   0.0000000000000000,  0.0092835100000000,  0.0066848700000000 ]  - [   0.0000000000000000,  0.0072050400000000,  0.0078272200000000 ]  - [   0.0000853900000000,  0.0085108700000000,  0.0019031700000000 ]  - [  -0.0000853900000000,  0.0085108700000000,  0.0019031700000000 ]  - [   0.0000000000000000,  0.0003128700000000,  0.0100502400000000 ]  - [  -0.0007754200000000, -0.0081329400000000,  0.0068850500000000 ]  - [   0.0007754200000000, -0.0081329400000000,  0.0068850500000000 ]  - [   0.0000000000000000, -0.0069801800000000, -0.0128224800000000 ]  - [   0.0000093700000000, -0.0092368300000000, -0.0074946800000000 ]  - [  -0.0000093700000000, -0.0092368300000000, -0.0074946800000000 ]  - [   0.0000000000000000,  0.0233175800000000,  0.1577375700000000 ]  - [  -0.0048126400000000,  0.0133863400000000,  0.0157964000000000 ]  - [   0.0048126400000000,  0.0133863400000000,  0.0157964000000000 ]  - [   0.0000000000000000,  0.0155442100000000, -0.0246572600000000 ]  - [   0.0026371400000000,  0.0103344300000000, -0.0123896300000000 ]  - [  -0.0026371400000000,  0.0103344300000000, -0.0123896300000000 ]  - [   0.0214715200000000, -0.0049344300000000, -0.0218330800000000 ]  - [  -0.0214715200000000, -0.0049344300000000, -0.0218330800000000 ]  - [   0.0000000000000000, -0.0128943900000000, -0.0133546000000000 ]  - [  -0.0019578200000000, -0.0104627300000000,  0.0063557000000000 ]  - [   0.0019578200000000, -0.0104627300000000,  0.0063557000000000 ]  - [   0.0000000000000000, -0.0107950800000000,  0.0092596700000000 ]  - [   0.0000838900000000,  0.0110070200000000,  0.0124092500000000 ]  - [  -0.0000838900000000,  0.0110070200000000,  0.0124092500000000 ]  - [   0.0000000000000000,  0.0111629000000000,  0.0117278100000000 ]  - [  -0.0012272200000000,  0.0101802100000000, -0.0110255900000000 ]  - [   0.0012272200000000,  0.0101802100000000, -0.0110255900000000 ]  - [   0.0000000000000000,  0.0106567000000000, -0.0109756500000000 ]  - [   0.0000000000000000, -0.0112164200000000, -0.0113122400000000 ]  - [  -0.0001626900000000, -0.0113061700000000, -0.0114928000000000 ]  - [   0.0001626900000000, -0.0113061700000000, -0.0114928000000000 ]  - [   0.0000000000000000, -0.0118092500000000,  0.0081289600000000 ]  - [   0.0003784300000000, -0.0109033000000000,  0.0105781700000000 ]  - [  -0.0003784300000000, -0.0109033000000000,  0.0105781700000000 ]  - [   0.0000000000000000, -0.0008286400000000, -0.0069355900000000 ]  - [  -0.0011706800000000, -0.0010508700000000, -0.0025495300000000 ]  - [   0.0011706800000000, -0.0010508700000000, -0.0025495300000000 ]  - [   0.0000000000000000, -0.0198017400000000, -0.0162326000000000 ]  - [   0.0005298700000000, -0.0000846400000000,  0.0019751100000000 ]  - [  -0.0005298700000000, -0.0000846400000000,  0.0019751100000000 ]  - [   0.0000000000000000, -0.0089456300000000,  0.0127749600000000 ]  - [   0.0003552300000000,  0.0005347500000000,  0.0003178800000000 ]  - [  -0.0003552300000000,  0.0005347500000000,  0.0003178800000000 ]  - [  -0.0001867200000000, -0.0008412000000000, -0.0054250000000000 ]  - [   0.0001867200000000, -0.0008412000000000, -0.0054250000000000 ]  - [   0.0000000000000000, -0.0008282800000000, -0.0034037600000000 ]  - [  -0.0274598500000000, -0.0027469800000000, -0.0108762700000000 ]  - [   0.0274598500000000, -0.0027469800000000, -0.0108762700000000 ]  - [   0.0000000000000000,  0.0022588300000000,  0.0011033400000000 ]  - [   0.0032728700000000, -0.0030872200000000,  0.0001844500000000 ]  - [  -0.0032728700000000, -0.0030872200000000,  0.0001844500000000 ]  - [   0.0000000000000000, -0.0009405100000000,  0.0020124300000000 ]  - [   0.0000821300000000, -0.0006698300000000, -0.0007826600000000 ]  - [  -0.0000821300000000, -0.0006698300000000, -0.0007826600000000 ]  - [   0.0000000000000000, -0.0008071800000000, -0.0004902000000000 ]  - [  -0.0005577900000000,  0.0023523400000000,  0.0020866600000000 ]  - [   0.0005577900000000,  0.0023523400000000,  0.0020866600000000 ]  - [   0.0000000000000000,  0.0010521100000000,  0.0023940000000000 ]  - [  -0.0004944600000000, -0.0003577200000000,  0.0004382400000000 ]  - [   0.0004944600000000, -0.0003577200000000,  0.0004382400000000 ]  - [   0.0000000000000000, -0.0005671300000000, -0.0017004200000000 ]  - [   0.0000000000000000, -0.0036320200000000, -0.0066361200000000 ]  - [   0.0000708300000000, -0.0009868100000000, -0.0028489800000000 ]  - [  -0.0000708300000000, -0.0009868100000000, -0.0028489800000000 ]  - [   0.0000000000000000,  0.0007301900000000,  0.0012393000000000 ]  - [   0.0002633400000000,  0.0009658600000000,  0.0005729600000000 ]  - [  -0.0002633400000000,  0.0009658600000000,  0.0005729600000000 ]  - [   0.0000000000000000,  0.0187771200000000, -0.0011586400000000 ]  - [  -0.0005659100000000,  0.0011470800000000,  0.0022031400000000 ]  - [   0.0005659100000000,  0.0011470800000000,  0.0022031400000000 ]- atom:   61  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0028930800000000, -0.0088878600000000,  0.0000000000000000 ]  - [  -0.0015075100000000, -0.0090854100000000,  0.0000000000000000 ]  - [  -0.0015269500000000, -0.0087683400000000,  0.0000000000000000 ]  - [   0.0290243100000000,  0.0085748000000000, -0.0062469900000000 ]  - [  -0.0094270700000000,  0.0099443200000000, -0.0091826500000000 ]  - [  -0.0094507200000000,  0.0074916000000000, -0.0040725200000000 ]  - [   0.0290243100000000,  0.0085748000000000,  0.0062469900000000 ]  - [  -0.0094270700000000,  0.0099443200000000,  0.0091826500000000 ]  - [  -0.0094507200000000,  0.0074916000000000,  0.0040725200000000 ]  - [   0.0251052600000000, -0.0084282600000000,  0.0000000000000000 ]  - [   0.0294971500000000,  0.0277362100000000,  0.0000000000000000 ]  - [  -0.0170346000000000,  0.0089265400000000,  0.0000000000000000 ]  - [   0.0030970300000000, -0.0056854200000000,  0.0135620900000000 ]  - [   0.0031612000000000, -0.0117101000000000, -0.0003889400000000 ]  - [  -0.0048418200000000, -0.0087070500000000,  0.0066011400000000 ]  - [   0.0030970300000000, -0.0056854200000000, -0.0135620900000000 ]  - [   0.0031612000000000, -0.0117101000000000,  0.0003889400000000 ]  - [  -0.0048418200000000, -0.0087070500000000, -0.0066011400000000 ]  - [   0.0006289800000000, -0.0072193300000000,  0.0000000000000000 ]  - [   0.0006478500000000, -0.0106421700000000,  0.0000000000000000 ]  - [  -0.0013277500000000, -0.0089238200000000,  0.0000000000000000 ]  - [   0.0012876900000000,  0.0151659800000000, -0.0052766900000000 ]  - [   0.0013129300000000,  0.0021806700000000, -0.0079651600000000 ]  - [  -0.0022853000000000,  0.0087011800000000, -0.0066123600000000 ]  - [   0.0012876900000000,  0.0151659800000000,  0.0052766900000000 ]  - [   0.0013129300000000,  0.0021806700000000,  0.0079651600000000 ]  - [  -0.0022853000000000,  0.0087011800000000,  0.0066123600000000 ]  - [   0.0017792800000000,  0.0088773400000000,  0.0000000000000000 ]  - [  -0.0008590400000000,  0.0101251600000000,  0.0000000000000000 ]  - [  -0.0008721300000000,  0.0077272200000000,  0.0000000000000000 ]  - [   0.0022003300000000, -0.0087641000000000,  0.0066166100000000 ]  - [  -0.0010944800000000, -0.0071957300000000,  0.0061124700000000 ]  - [  -0.0011105400000000, -0.0102139400000000,  0.0071025200000000 ]  - [   0.0022003300000000, -0.0087641000000000, -0.0066166100000000 ]  - [  -0.0010944800000000, -0.0071957300000000, -0.0061124700000000 ]  - [  -0.0011105400000000, -0.0102139400000000, -0.0071025200000000 ]  - [  -0.0060493600000000,  0.0110033600000000,  0.0112959300000000 ]  - [   0.0040959500000000,  0.0123662000000000,  0.0100939300000000 ]  - [   0.0041094800000000,  0.0097062700000000,  0.0124399200000000 ]  - [  -0.0060493600000000,  0.0110033600000000, -0.0112959300000000 ]  - [   0.0040959500000000,  0.0123662000000000, -0.0100939300000000 ]  - [   0.0041094800000000,  0.0097062700000000, -0.0124399200000000 ]  - [   0.0154957100000000, -0.0040336000000000,  0.0158589000000000 ]  - [   0.0155031000000000, -0.0181872700000000, -0.0387220600000000 ]  - [   0.0085349800000000, -0.0110454100000000, -0.0112858200000000 ]  - [   0.0154957100000000, -0.0040336000000000, -0.0158589000000000 ]  - [   0.0155031000000000, -0.0181872700000000,  0.0387220600000000 ]  - [   0.0085349800000000, -0.0110454100000000,  0.0112858200000000 ]  - [  -0.0008477900000000,  0.0101129000000000,  0.0113532000000000 ]  - [  -0.0008757000000000,  0.0119717300000000,  0.0111809000000000 ]  - [   0.0016876400000000,  0.0110344300000000,  0.0112685700000000 ]  - [  -0.0008477900000000,  0.0101129000000000, -0.0113532000000000 ]  - [  -0.0008757000000000,  0.0119717300000000, -0.0111809000000000 ]  - [   0.0016876400000000,  0.0110344300000000, -0.0112685700000000 ]  - [  -0.0027569600000000, -0.0110127500000000, -0.0112646200000000 ]  - [   0.0014141400000000, -0.0109035500000000, -0.0115305000000000 ]  - [   0.0014157600000000, -0.0111581500000000, -0.0110092000000000 ]  - [  -0.0027569600000000, -0.0110127500000000,  0.0112646200000000 ]  - [   0.0014141400000000, -0.0109035500000000,  0.0115305000000000 ]  - [   0.0014157600000000, -0.0111581500000000,  0.0110092000000000 ]  - [  -0.2007928200000000, -0.0019775000000000,  0.0000000000000000 ]  - [   0.0242356000000000, -0.0093943900000000,  0.0000000000000000 ]  - [   0.0239870200000000,  0.0075064700000000,  0.0000000000000000 ]  - [  -0.0010961200000000,  0.0005135200000000,  0.0021359700000000 ]  - [   0.0004960200000000, -0.0005901500000000,  0.0030072400000000 ]  - [   0.0004968400000000,  0.0014889600000000,  0.0013955800000000 ]  - [  -0.0010961200000000,  0.0005135200000000, -0.0021359700000000 ]  - [   0.0004960200000000, -0.0005901500000000, -0.0030072400000000 ]  - [   0.0004968400000000,  0.0014889600000000, -0.0013955800000000 ]  - [   0.0013916800000000, -0.0084845700000000, -0.0106528100000000 ]  - [   0.0013621500000000,  0.0077027700000000,  0.0064025900000000 ]  - [   0.0008956800000000, -0.0004469000000000, -0.0021877600000000 ]  - [  -0.0011657400000000,  0.0015020000000000,  0.0000000000000000 ]  - [  -0.0012064200000000,  0.0002582000000000,  0.0000000000000000 ]  - [   0.0027205000000000,  0.0008854700000000,  0.0000000000000000 ]  - [   0.0013916800000000, -0.0084845700000000,  0.0106528100000000 ]  - [   0.0013621500000000,  0.0077027700000000, -0.0064025900000000 ]  - [   0.0008956800000000, -0.0004469000000000,  0.0021877600000000 ]  - [  -0.0007000100000000, -0.0013507400000000,  0.0000000000000000 ]  - [  -0.0007181500000000, -0.0004104800000000,  0.0000000000000000 ]  - [   0.0014624100000000, -0.0008848200000000,  0.0000000000000000 ]  - [  -0.0001834900000000, -0.0020155500000000,  0.0007717100000000 ]  - [  -0.0001873500000000,  0.0029328000000000,  0.0036411700000000 ]  - [   0.0005902900000000,  0.0004569000000000,  0.0021992100000000 ]  - [  -0.0001834900000000, -0.0020155500000000, -0.0007717100000000 ]  - [  -0.0001873500000000,  0.0029328000000000, -0.0036411700000000 ]  - [   0.0005902900000000,  0.0004569000000000, -0.0021992100000000 ]  - [  -0.0014042800000000, -0.0003926800000000, -0.0022177700000000 ]  - [   0.0006813200000000, -0.0021556400000000, -0.0021667700000000 ]  - [   0.0006849900000000,  0.0012349100000000, -0.0022279800000000 ]  - [  -0.0015045600000000,  0.0008973700000000,  0.0000000000000000 ]  - [   0.0007991500000000,  0.0007263100000000,  0.0000000000000000 ]  - [   0.0008029300000000,  0.0010433100000000,  0.0000000000000000 ]  - [  -0.0014042800000000, -0.0003926800000000,  0.0022177700000000 ]  - [   0.0006813200000000, -0.0021556400000000,  0.0021667700000000 ]  - [   0.0006849900000000,  0.0012349100000000,  0.0022279800000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0053913500000000,  0.0000000000000000 ]  - [   0.0002440600000000, -0.0090600800000000,  0.0000000000000000 ]  - [  -0.0002440600000000, -0.0090600800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0167842800000000,  0.0014563100000000 ]  - [   0.0025604600000000,  0.0087076900000000, -0.0075015700000000 ]  - [  -0.0025604600000000,  0.0087076900000000, -0.0075015700000000 ]  - [   0.0000000000000000,  0.0167842800000000, -0.0014563100000000 ]  - [   0.0025604600000000,  0.0087076900000000,  0.0075015700000000 ]  - [  -0.0025604600000000,  0.0087076900000000,  0.0075015700000000 ]  - [   0.0001036400000000,  0.0260282900000000,  0.0000000000000000 ]  - [  -0.0001036400000000,  0.0260282900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0081921300000000,  0.0000000000000000 ]  - [  -0.0001879400000000, -0.0054796100000000,  0.0041287400000000 ]  - [   0.0001879400000000, -0.0054796100000000,  0.0041287400000000 ]  - [   0.0000000000000000, -0.0085853100000000,  0.0058472500000000 ]  - [  -0.0001879400000000, -0.0054796100000000, -0.0041287400000000 ]  - [   0.0001879400000000, -0.0054796100000000, -0.0041287400000000 ]  - [   0.0000000000000000, -0.0085853100000000, -0.0058472500000000 ]  - [  -0.0005036800000000, -0.0095159600000000,  0.0000000000000000 ]  - [   0.0005036800000000, -0.0095159600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0090395300000000,  0.0000000000000000 ]  - [  -0.0003874000000000,  0.0049852600000000, -0.0080004600000000 ]  - [   0.0003874000000000,  0.0049852600000000, -0.0080004600000000 ]  - [   0.0000000000000000,  0.0082697600000000, -0.0068875000000000 ]  - [  -0.0003874000000000,  0.0049852600000000,  0.0080004600000000 ]  - [   0.0003874000000000,  0.0049852600000000,  0.0080004600000000 ]  - [   0.0000000000000000,  0.0082697600000000,  0.0068875000000000 ]  - [   0.0000000000000000,  0.0041043200000000,  0.0000000000000000 ]  - [   0.0002648200000000,  0.0086107500000000,  0.0000000000000000 ]  - [  -0.0002648200000000,  0.0086107500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0125530700000000,  0.0077851400000000 ]  - [   0.0003600800000000, -0.0088880600000000,  0.0065332300000000 ]  - [  -0.0003600800000000, -0.0088880600000000,  0.0065332300000000 ]  - [   0.0000000000000000, -0.0125530700000000, -0.0077851400000000 ]  - [   0.0003600800000000, -0.0088880600000000, -0.0065332300000000 ]  - [  -0.0003600800000000, -0.0088880600000000, -0.0065332300000000 ]  - [   0.0000000000000000,  0.0088590100000000,  0.0112046400000000 ]  - [  -0.0004930800000000,  0.0103739600000000,  0.0114346200000000 ]  - [   0.0004930800000000,  0.0103739600000000,  0.0114346200000000 ]  - [   0.0000000000000000,  0.0088590100000000, -0.0112046400000000 ]  - [  -0.0004930800000000,  0.0103739600000000, -0.0114346200000000 ]  - [   0.0004930800000000,  0.0103739600000000, -0.0114346200000000 ]  - [   0.0072276900000000, -0.0159109100000000, -0.0075982000000000 ]  - [  -0.0072276900000000, -0.0159109100000000, -0.0075982000000000 ]  - [   0.0000000000000000, -0.0114538200000000, -0.0126293900000000 ]  - [   0.0072276900000000, -0.0159109100000000,  0.0075982000000000 ]  - [  -0.0072276900000000, -0.0159109100000000,  0.0075982000000000 ]  - [   0.0000000000000000, -0.0114538200000000,  0.0126293900000000 ]  - [   0.0007710600000000,  0.0116980500000000,  0.0110463700000000 ]  - [  -0.0007710600000000,  0.0116980500000000,  0.0110463700000000 ]  - [   0.0000000000000000,  0.0111799500000000,  0.0111945600000000 ]  - [   0.0007710600000000,  0.0116980500000000, -0.0110463700000000 ]  - [  -0.0007710600000000,  0.0116980500000000, -0.0110463700000000 ]  - [   0.0000000000000000,  0.0111799500000000, -0.0111945600000000 ]  - [   0.0000000000000000, -0.0086980700000000, -0.0111204800000000 ]  - [   0.0001226600000000, -0.0105232900000000, -0.0113523700000000 ]  - [  -0.0001226600000000, -0.0105232900000000, -0.0113523700000000 ]  - [   0.0000000000000000, -0.0086980700000000,  0.0111204800000000 ]  - [   0.0001226600000000, -0.0105232900000000,  0.0113523700000000 ]  - [  -0.0001226600000000, -0.0105232900000000,  0.0113523700000000 ]  - [   0.0000000000000000, -0.0489956200000000,  0.0000000000000000 ]  - [   0.0084457600000000, -0.0033395300000000,  0.0000000000000000 ]  - [  -0.0084457600000000, -0.0033395300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0038871200000000, -0.0023168800000000 ]  - [  -0.0000892500000000,  0.0003913400000000,  0.0023415100000000 ]  - [   0.0000892500000000,  0.0003913400000000,  0.0023415100000000 ]  - [   0.0000000000000000,  0.0038871200000000,  0.0023168800000000 ]  - [  -0.0000892500000000,  0.0003913400000000, -0.0023415100000000 ]  - [   0.0000892500000000,  0.0003913400000000, -0.0023415100000000 ]  - [  -0.0039624300000000,  0.0028349300000000,  0.0033278100000000 ]  - [   0.0039624300000000,  0.0028349300000000,  0.0033278100000000 ]  - [   0.0000000000000000, -0.0001548300000000, -0.0015360300000000 ]  - [   0.0006153400000000,  0.0004336800000000,  0.0000000000000000 ]  - [  -0.0006153400000000,  0.0004336800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0009639300000000,  0.0000000000000000 ]  - [  -0.0039624300000000,  0.0028349300000000, -0.0033278100000000 ]  - [   0.0039624300000000,  0.0028349300000000, -0.0033278100000000 ]  - [   0.0000000000000000, -0.0001548300000000,  0.0015360300000000 ]  - [   0.0004698500000000, -0.0002914300000000,  0.0000000000000000 ]  - [  -0.0004698500000000, -0.0002914300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0008065100000000,  0.0000000000000000 ]  - [   0.0002624500000000,  0.0004866000000000,  0.0028173100000000 ]  - [  -0.0002624500000000,  0.0004866000000000,  0.0028173100000000 ]  - [   0.0000000000000000,  0.0004918000000000,  0.0023417300000000 ]  - [   0.0002624500000000,  0.0004866000000000, -0.0028173100000000 ]  - [  -0.0002624500000000,  0.0004866000000000, -0.0028173100000000 ]  - [   0.0000000000000000,  0.0004918000000000, -0.0023417300000000 ]  - [   0.0000000000000000,  0.0059356100000000, -0.0051772600000000 ]  - [  -0.0002313100000000, -0.0002415600000000, -0.0021178200000000 ]  - [   0.0002313100000000, -0.0002415600000000, -0.0021178200000000 ]  - [   0.0000000000000000,  0.0017919200000000,  0.0000000000000000 ]  - [  -0.0001623700000000,  0.0008934000000000,  0.0000000000000000 ]  - [   0.0001623700000000,  0.0008934000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0059356100000000,  0.0051772600000000 ]  - [  -0.0002313100000000, -0.0002415600000000,  0.0021178200000000 ]  - [   0.0002313100000000, -0.0002415600000000,  0.0021178200000000 ]- atom:   61  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0124656500000000,  0.0000000000000000 ]  - [  -0.0002463500000000, -0.0087936600000000,  0.0000000000000000 ]  - [   0.0002463500000000, -0.0087936600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0004989100000000, -0.0143805500000000 ]  - [  -0.0025480600000000,  0.0087033000000000, -0.0057188000000000 ]  - [   0.0025480600000000,  0.0087033000000000, -0.0057188000000000 ]  - [   0.0000000000000000,  0.0004989100000000,  0.0143805500000000 ]  - [  -0.0025480600000000,  0.0087033000000000,  0.0057188000000000 ]  - [   0.0025480600000000,  0.0087033000000000,  0.0057188000000000 ]  - [  -0.0001918500000000, -0.0083222900000000,  0.0000000000000000 ]  - [   0.0001918500000000, -0.0083222900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0096767800000000,  0.0000000000000000 ]  - [   0.0002059600000000, -0.0118851800000000,  0.0090928800000000 ]  - [  -0.0002059600000000, -0.0118851800000000,  0.0090928800000000 ]  - [   0.0000000000000000, -0.0088142000000000,  0.0073840100000000 ]  - [   0.0002059600000000, -0.0118851800000000, -0.0090928800000000 ]  - [  -0.0002059600000000, -0.0118851800000000, -0.0090928800000000 ]  - [   0.0000000000000000, -0.0088142000000000, -0.0073840100000000 ]  - [   0.0005071300000000, -0.0083343300000000,  0.0000000000000000 ]  - [  -0.0005071300000000, -0.0083343300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0088158700000000,  0.0000000000000000 ]  - [   0.0003958600000000,  0.0124178100000000, -0.0052289700000000 ]  - [  -0.0003958600000000,  0.0124178100000000, -0.0052289700000000 ]  - [   0.0000000000000000,  0.0091512400000000, -0.0063286200000000 ]  - [   0.0003958600000000,  0.0124178100000000,  0.0052289700000000 ]  - [  -0.0003958600000000,  0.0124178100000000,  0.0052289700000000 ]  - [   0.0000000000000000,  0.0091512400000000,  0.0063286200000000 ]  - [   0.0000000000000000,  0.0138043500000000,  0.0000000000000000 ]  - [  -0.0002710600000000,  0.0092363600000000,  0.0000000000000000 ]  - [   0.0002710600000000,  0.0092363600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0048576600000000,  0.0054042200000000 ]  - [  -0.0003643700000000, -0.0085361300000000,  0.0066878400000000 ]  - [   0.0003643700000000, -0.0085361300000000,  0.0066878400000000 ]  - [   0.0000000000000000, -0.0048576600000000, -0.0054042200000000 ]  - [  -0.0003643700000000, -0.0085361300000000, -0.0066878400000000 ]  - [   0.0003643700000000, -0.0085361300000000, -0.0066878400000000 ]  - [   0.0000000000000000,  0.0132091300000000,  0.0113166700000000 ]  - [   0.0004966100000000,  0.0116876100000000,  0.0111043900000000 ]  - [  -0.0004966100000000,  0.0116876100000000,  0.0111043900000000 ]  - [   0.0000000000000000,  0.0132091300000000, -0.0113166700000000 ]  - [   0.0004966100000000,  0.0116876100000000, -0.0111043900000000 ]  - [  -0.0004966100000000,  0.0116876100000000, -0.0111043900000000 ]  - [  -0.0071441600000000, -0.0061160000000000, -0.0148586600000000 ]  - [   0.0071441600000000, -0.0061160000000000, -0.0148586600000000 ]  - [   0.0000000000000000, -0.0106217300000000, -0.0099013200000000 ]  - [  -0.0071441600000000, -0.0061160000000000,  0.0148586600000000 ]  - [   0.0071441600000000, -0.0061160000000000,  0.0148586600000000 ]  - [   0.0000000000000000, -0.0106217300000000,  0.0099013200000000 ]  - [  -0.0007795900000000,  0.0103696000000000,  0.0114840300000000 ]  - [   0.0007795900000000,  0.0103696000000000,  0.0114840300000000 ]  - [   0.0000000000000000,  0.0108890400000000,  0.0113464500000000 ]  - [  -0.0007795900000000,  0.0103696000000000, -0.0114840300000000 ]  - [   0.0007795900000000,  0.0103696000000000, -0.0114840300000000 ]  - [   0.0000000000000000,  0.0108890400000000, -0.0113464500000000 ]  - [   0.0000000000000000, -0.0133733500000000, -0.0114199000000000 ]  - [  -0.0001116500000000, -0.0115419900000000, -0.0111843300000000 ]  - [   0.0001116500000000, -0.0115419900000000, -0.0111843300000000 ]  - [   0.0000000000000000, -0.0133733500000000,  0.0114199000000000 ]  - [  -0.0001116500000000, -0.0115419900000000,  0.0111843300000000 ]  - [   0.0001116500000000, -0.0115419900000000,  0.0111843300000000 ]  - [   0.0000000000000000,  0.0475221400000000,  0.0000000000000000 ]  - [  -0.0084578600000000,  0.0015964600000000,  0.0000000000000000 ]  - [   0.0084578600000000,  0.0015964600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0029911200000000,  0.0067107700000000 ]  - [   0.0000894600000000,  0.0005279700000000,  0.0020529400000000 ]  - [  -0.0000894600000000,  0.0005279700000000,  0.0020529400000000 ]  - [   0.0000000000000000, -0.0029911200000000, -0.0067107700000000 ]  - [   0.0000894600000000,  0.0005279700000000, -0.0020529400000000 ]  - [  -0.0000894600000000,  0.0005279700000000, -0.0020529400000000 ]  - [   0.0039080300000000, -0.0037138600000000, -0.0076737500000000 ]  - [  -0.0039080300000000, -0.0037138600000000, -0.0076737500000000 ]  - [   0.0000000000000000, -0.0007616100000000, -0.0028622700000000 ]  - [  -0.0006244600000000,  0.0013385300000000,  0.0000000000000000 ]  - [   0.0006244600000000,  0.0013385300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0008081700000000,  0.0000000000000000 ]  - [   0.0039080300000000, -0.0037138600000000,  0.0076737500000000 ]  - [  -0.0039080300000000, -0.0037138600000000,  0.0076737500000000 ]  - [   0.0000000000000000, -0.0007616100000000,  0.0028622700000000 ]  - [  -0.0004743400000000, -0.0014825700000000,  0.0000000000000000 ]  - [   0.0004743400000000, -0.0014825700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0009670900000000,  0.0000000000000000 ]  - [  -0.0002649100000000,  0.0004083300000000,  0.0015824200000000 ]  - [   0.0002649100000000,  0.0004083300000000,  0.0015824200000000 ]  - [   0.0000000000000000,  0.0004087900000000,  0.0020521400000000 ]  - [  -0.0002649100000000,  0.0004083300000000, -0.0015824200000000 ]  - [   0.0002649100000000,  0.0004083300000000, -0.0015824200000000 ]  - [   0.0000000000000000,  0.0004087900000000, -0.0020521400000000 ]  - [   0.0000000000000000, -0.0069565000000000,  0.0008439000000000 ]  - [   0.0002324800000000, -0.0006553300000000, -0.0022762800000000 ]  - [  -0.0002324800000000, -0.0006553300000000, -0.0022762800000000 ]  - [   0.0000000000000000, -0.0000266100000000,  0.0000000000000000 ]  - [   0.0001601700000000,  0.0008802000000000,  0.0000000000000000 ]  - [  -0.0001601700000000,  0.0008802000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0069565000000000, -0.0008439000000000 ]  - [   0.0002324800000000, -0.0006553300000000,  0.0022762800000000 ]  - [  -0.0002324800000000, -0.0006553300000000,  0.0022762800000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0089509900000000, -0.0134762300000000 ]  - [  -0.0000075500000000, -0.0089199400000000, -0.0052053000000000 ]  - [   0.0000075500000000, -0.0089199400000000, -0.0052053000000000 ]  - [   0.0000000000000000,  0.0151258200000000, -0.0130961400000000 ]  - [  -0.0050545700000000,  0.0093283600000000, -0.0058818800000000 ]  - [   0.0050545700000000,  0.0093283600000000, -0.0058818800000000 ]  - [   0.0000000000000000,  0.0015530200000000, -0.0010556400000000 ]  - [   0.0050487500000000,  0.0080698400000000,  0.0073172600000000 ]  - [  -0.0050487500000000,  0.0080698400000000,  0.0073172600000000 ]  - [  -0.0000972300000000,  0.0089341400000000,  0.0183767000000000 ]  - [   0.0000972300000000,  0.0089341400000000,  0.0183767000000000 ]  - [   0.0000000000000000,  0.0089285200000000,  0.0044784700000000 ]  - [   0.0015479800000000, -0.0129163200000000,  0.0029659400000000 ]  - [  -0.0015479800000000, -0.0129163200000000,  0.0029659400000000 ]  - [   0.0000000000000000, -0.0104801100000000,  0.0057004200000000 ]  - [  -0.0015114500000000, -0.0045192000000000, -0.0103133600000000 ]  - [   0.0015114500000000, -0.0045192000000000, -0.0103133600000000 ]  - [   0.0000000000000000, -0.0069358600000000, -0.0075303300000000 ]  - [   0.0000036100000000, -0.0089208600000000, -0.0033047800000000 ]  - [  -0.0000036100000000, -0.0089208600000000, -0.0033047800000000 ]  - [   0.0000000000000000, -0.0089204600000000, -0.0018254400000000 ]  - [   0.0003790500000000,  0.0066480200000000, -0.0063359700000000 ]  - [  -0.0003790500000000,  0.0066480200000000, -0.0063359700000000 ]  - [   0.0000000000000000,  0.0082817500000000, -0.0063489800000000 ]  - [  -0.0003751400000000,  0.0108050900000000,  0.0068654900000000 ]  - [   0.0003751400000000,  0.0108050900000000,  0.0068654900000000 ]  - [   0.0000000000000000,  0.0091402900000000,  0.0068651700000000 ]  - [   0.0000000000000000,  0.0089338200000000,  0.0053974200000000 ]  - [  -0.0000010500000000,  0.0089226300000000,  0.0025022400000000 ]  - [   0.0000010500000000,  0.0089226300000000,  0.0025022400000000 ]  - [   0.0000000000000000, -0.0035568200000000,  0.0064604400000000 ]  - [  -0.0003760900000000, -0.0079740800000000,  0.0061380700000000 ]  - [   0.0003760900000000, -0.0079740800000000,  0.0061380700000000 ]  - [   0.0000000000000000, -0.0137874400000000, -0.0067911500000000 ]  - [   0.0003720000000000, -0.0094417100000000, -0.0070823800000000 ]  - [  -0.0003720000000000, -0.0094417100000000, -0.0070823800000000 ]  - [   0.0000000000000000,  0.0087742200000000,  0.0181867400000000 ]  - [  -0.0016522000000000,  0.0110432000000000,  0.0138136500000000 ]  - [   0.0016522000000000,  0.0110432000000000,  0.0138136500000000 ]  - [   0.0000000000000000,  0.0133602200000000, -0.0042728400000000 ]  - [   0.0016638300000000,  0.0110237100000000, -0.0087275600000000 ]  - [  -0.0016638300000000,  0.0110237100000000, -0.0087275600000000 ]  - [   0.0218228000000000, -0.0099034600000000, -0.0003795000000000 ]  - [  -0.0218228000000000, -0.0099034600000000, -0.0003795000000000 ]  - [   0.0000000000000000, -0.0131980300000000, -0.0123491300000000 ]  - [  -0.0219989000000000, -0.0121795800000000,  0.0221325800000000 ]  - [   0.0219989000000000, -0.0121795800000000,  0.0221325800000000 ]  - [   0.0000000000000000, -0.0088575600000000,  0.0101679700000000 ]  - [   0.0006052100000000,  0.0114409100000000,  0.0120463500000000 ]  - [  -0.0006052100000000,  0.0114409100000000,  0.0120463500000000 ]  - [   0.0000000000000000,  0.0112899600000000,  0.0117545400000000 ]  - [  -0.0006200100000000,  0.0106184600000000, -0.0104950700000000 ]  - [   0.0006200100000000,  0.0106184600000000, -0.0104950700000000 ]  - [   0.0000000000000000,  0.0107746800000000, -0.0107827300000000 ]  - [   0.0000000000000000, -0.0111756400000000, -0.0124964300000000 ]  - [  -0.0003445600000000, -0.0113611400000000, -0.0118347500000000 ]  - [   0.0003445600000000, -0.0113611400000000, -0.0118347500000000 ]  - [   0.0000000000000000, -0.0109139500000000,  0.0100373500000000 ]  - [   0.0003445700000000, -0.0107100800000000,  0.0106999200000000 ]  - [  -0.0003445700000000, -0.0107100800000000,  0.0106999200000000 ]  - [   0.0000000000000000, -0.0000498600000000, -0.0935037400000000 ]  - [  -0.0000675800000000, -0.0008672000000000, -0.0019893800000000 ]  - [   0.0000675800000000, -0.0008672000000000, -0.0019893800000000 ]  - [   0.0000000000000000, -0.0063572700000000,  0.0161749200000000 ]  - [   0.0002040400000000,  0.0001796100000000,  0.0034869500000000 ]  - [  -0.0002040400000000,  0.0001796100000000,  0.0034869500000000 ]  - [   0.0000000000000000,  0.0071495300000000,  0.0115872200000000 ]  - [  -0.0002039100000000,  0.0007281100000000, -0.0009022400000000 ]  - [   0.0002039100000000,  0.0007281100000000, -0.0009022400000000 ]  - [  -0.0014231300000000,  0.0013574100000000, -0.0020376600000000 ]  - [   0.0014231300000000,  0.0013574100000000, -0.0020376600000000 ]  - [   0.0000000000000000, -0.0000881500000000, -0.0030670200000000 ]  - [  -0.0000130800000000,  0.0008895500000000,  0.0034106500000000 ]  - [   0.0000130800000000,  0.0008895500000000,  0.0034106500000000 ]  - [   0.0000000000000000,  0.0008871300000000,  0.0019142900000000 ]  - [   0.0014428700000000, -0.0023028300000000,  0.0024184600000000 ]  - [  -0.0014428700000000, -0.0023028300000000,  0.0024184600000000 ]  - [   0.0000000000000000, -0.0008227500000000,  0.0013341600000000 ]  - [  -0.0000048500000000, -0.0008878300000000, -0.0009075900000000 ]  - [   0.0000048500000000, -0.0008878300000000, -0.0009075900000000 ]  - [   0.0000000000000000, -0.0008854700000000, -0.0006021300000000 ]  - [  -0.0001992000000000,  0.0026088100000000,  0.0032165200000000 ]  - [   0.0001992000000000,  0.0026088100000000,  0.0032165200000000 ]  - [   0.0000000000000000,  0.0013961600000000,  0.0025963900000000 ]  - [   0.0001957800000000, -0.0017021900000000, -0.0011684800000000 ]  - [  -0.0001957800000000, -0.0017021900000000, -0.0011684800000000 ]  - [   0.0000000000000000, -0.0004895700000000, -0.0017982500000000 ]  - [   0.0000000000000000, -0.0059160500000000, -0.0030452100000000 ]  - [   0.0002243200000000, -0.0019744400000000, -0.0028289700000000 ]  - [  -0.0002243200000000, -0.0019744400000000, -0.0028289700000000 ]  - [   0.0000000000000000,  0.0008807900000000,  0.0014809000000000 ]  - [   0.0000032800000000,  0.0008858600000000,  0.0006951100000000 ]  - [  -0.0000032800000000,  0.0008858600000000,  0.0006951100000000 ]  - [   0.0000000000000000,  0.0049749600000000,  0.0013835200000000 ]  - [  -0.0002242600000000,  0.0010647300000000,  0.0015697100000000 ]  - [   0.0002242600000000,  0.0010647300000000,  0.0015697100000000 ]- atom:   64  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0111408200000000, -0.0091657700000000, -0.0000743600000000 ]  - [  -0.0025110800000000, -0.0096440800000000, -0.0007329900000000 ]  - [  -0.0024896300000000, -0.0082090900000000,  0.0007243200000000 ]  - [   0.0181651900000000,  0.0085848100000000, -0.0064326300000000 ]  - [  -0.0022431200000000,  0.0080705800000000, -0.0059606700000000 ]  - [  -0.0022254000000000,  0.0093382800000000, -0.0072538700000000 ]  - [   0.0006187400000000,  0.0087019900000000,  0.0066080200000000 ]  - [  -0.0004320500000000,  0.0086015000000000,  0.0063268900000000 ]  - [  -0.0004429200000000,  0.0088146500000000,  0.0068887600000000 ]  - [   0.0001535900000000,  0.0091649000000000, -0.0013514200000000 ]  - [   0.0001897000000000,  0.0086728800000000,  0.0013767500000000 ]  - [  -0.0006490100000000,  0.0089218300000000,  0.0000010900000000 ]  - [   0.0005362300000000, -0.0076851900000000,  0.0062459100000000 ]  - [   0.0005706400000000, -0.0097508600000000,  0.0069704300000000 ]  - [  -0.0009299200000000, -0.0087099100000000,  0.0066092000000000 ]  - [   0.0003519900000000, -0.0086960200000000, -0.0056014600000000 ]  - [   0.0003942200000000, -0.0087137800000000, -0.0076330900000000 ]  - [  -0.0008980600000000, -0.0087084000000000, -0.0066095000000000 ]  - [   0.0005671100000000, -0.0094588300000000,  0.0024139000000000 ]  - [   0.0005788600000000, -0.0083848900000000, -0.0024348400000000 ]  - [  -0.0008864700000000, -0.0089229600000000, -0.0000014400000000 ]  - [  -0.0001339800000000,  0.0070759400000000, -0.0079978500000000 ]  - [  -0.0000715700000000,  0.0103480500000000, -0.0051987000000000 ]  - [  -0.0012895900000000,  0.0087083600000000, -0.0066083200000000 ]  - [   0.0002717300000000,  0.0088816100000000,  0.0067425700000000 ]  - [   0.0002840500000000,  0.0085328800000000,  0.0064706900000000 ]  - [  -0.0004980200000000,  0.0087075500000000,  0.0066079800000000 ]  - [   0.0004483400000000,  0.0089246000000000, -0.0000312200000000 ]  - [  -0.0002989600000000,  0.0090721200000000,  0.0005121600000000 ]  - [  -0.0003066300000000,  0.0087793200000000, -0.0005060000000000 ]  - [   0.0092069100000000, -0.0084457500000000,  0.0067028700000000 ]  - [  -0.0030998300000000, -0.0080552500000000,  0.0070530300000000 ]  - [  -0.0030840200000000, -0.0093484200000000,  0.0061716300000000 ]  - [   0.0008922200000000, -0.0087170700000000, -0.0066119700000000 ]  - [  -0.0006216100000000, -0.0083657200000000, -0.0068966300000000 ]  - [  -0.0006245100000000, -0.0090466700000000, -0.0063276800000000 ]  - [   0.0002223300000000,  0.0110225200000000,  0.0112197600000000 ]  - [   0.0006386300000000,  0.0111621800000000,  0.0118023400000000 ]  - [   0.0006441400000000,  0.0109049300000000,  0.0107424900000000 ]  - [  -0.0061923600000000,  0.0109566000000000, -0.0112628500000000 ]  - [   0.0005078900000000,  0.0113397700000000, -0.0116247200000000 ]  - [   0.0005156700000000,  0.0107306400000000, -0.0109094000000000 ]  - [  -0.0001739200000000, -0.0106790000000000, -0.0110830600000000 ]  - [  -0.0001931700000000, -0.0113873300000000, -0.0114559900000000 ]  - [   0.0006875000000000, -0.0110329600000000, -0.0112684800000000 ]  - [   0.0011481600000000, -0.0144358100000000,  0.0145202800000000 ]  - [   0.0011856400000000, -0.0075656100000000,  0.0079562100000000 ]  - [   0.0014390700000000, -0.0110288400000000,  0.0112663900000000 ]  - [  -0.0001872500000000,  0.0108348500000000,  0.0107179600000000 ]  - [  -0.0001960700000000,  0.0112343400000000,  0.0118253400000000 ]  - [   0.0005667100000000,  0.0110347900000000,  0.0112716500000000 ]  - [   0.0037591700000000,  0.0171700400000000, -0.0107678900000000 ]  - [   0.0037958900000000,  0.0048037900000000, -0.0117842500000000 ]  - [   0.0017431900000000,  0.0110320000000000, -0.0112698800000000 ]  - [  -0.0005560700000000, -0.0110278100000000, -0.0112601200000000 ]  - [   0.0002849100000000, -0.0111618100000000, -0.0113390700000000 ]  - [   0.0002924200000000, -0.0109061000000000, -0.0111985100000000 ]  - [  -0.0003589000000000, -0.0109742300000000,  0.0113198000000000 ]  - [   0.0010092500000000, -0.0113501300000000,  0.0106999600000000 ]  - [   0.0010154400000000, -0.0107200800000000,  0.0118300700000000 ]  - [  -0.0010954000000000, -0.0009058100000000,  0.0000400800000000 ]  - [   0.0004962800000000, -0.0007940700000000, -0.0002064500000000 ]  - [   0.0004963100000000, -0.0009725600000000,  0.0002003000000000 ]  - [  -0.0274948800000000,  0.0005318100000000,  0.0019522900000000 ]  - [   0.0008353400000000,  0.0006246900000000,  0.0019344600000000 ]  - [   0.0008285100000000,  0.0002855900000000,  0.0024573200000000 ]  - [  -0.0043250100000000,  0.0004590400000000, -0.0022351600000000 ]  - [   0.0002914100000000,  0.0003690800000000, -0.0018117000000000 ]  - [   0.0002898700000000,  0.0005402100000000, -0.0025776300000000 ]  - [   0.0002731500000000, -0.0003490500000000, -0.0020889700000000 ]  - [   0.0002665400000000, -0.0005564700000000, -0.0023036100000000 ]  - [   0.0001493400000000, -0.0004548500000000, -0.0021980300000000 ]  - [   0.0013599400000000, -0.0030164700000000, -0.0014117500000000 ]  - [   0.0013926000000000,  0.0048552900000000,  0.0014555400000000 ]  - [   0.0008979300000000,  0.0008850900000000,  0.0000022200000000 ]  - [   0.0000684800000000, -0.0007308400000000,  0.0023932300000000 ]  - [   0.0000636200000000, -0.0001733900000000,  0.0019993100000000 ]  - [   0.0001015500000000, -0.0004552100000000,  0.0021991500000000 ]  - [  -0.0001780000000000, -0.0011494300000000,  0.0001955900000000 ]  - [  -0.0001931100000000, -0.0006212200000000, -0.0001982200000000 ]  - [   0.0005910300000000, -0.0008837400000000, -0.0000007000000000 ]  - [  -0.0002680300000000,  0.0007540000000000,  0.0018584100000000 ]  - [  -0.0002752000000000,  0.0001509200000000,  0.0025326500000000 ]  - [   0.0002008800000000,  0.0004563700000000,  0.0021957600000000 ]  - [  -0.0001116500000000,  0.0005791100000000, -0.0025589800000000 ]  - [  -0.0001144700000000,  0.0003263300000000, -0.0018340600000000 ]  - [   0.0001428300000000,  0.0004537200000000, -0.0021975500000000 ]  - [  -0.0077830100000000, -0.0004203800000000, -0.0021084300000000 ]  - [   0.0002310800000000, -0.0006204600000000, -0.0025124800000000 ]  - [   0.0002312900000000, -0.0002953600000000, -0.0018836100000000 ]  - [  -0.0014021200000000,  0.0008922500000000, -0.0000017200000000 ]  - [   0.0006811300000000,  0.0006519800000000,  0.0002259700000000 ]  - [   0.0006833800000000,  0.0011160300000000, -0.0002220000000000 ]  - [   0.0002739900000000, -0.0004539900000000,  0.0022010400000000 ]  - [   0.0000808100000000, -0.0004634000000000,  0.0021734800000000 ]  - [   0.0000812900000000, -0.0004447100000000,  0.0022246900000000 ]- atom:   64  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0353400400000000, -0.0041364300000000 ]  - [  -0.0036518500000000, -0.0059826100000000, -0.0003342400000000 ]  - [   0.0036518500000000, -0.0059826100000000, -0.0003342400000000 ]  - [   0.0000000000000000,  0.0557141800000000, -0.0170954000000000 ]  - [  -0.0027878900000000,  0.0132725100000000, -0.0066884200000000 ]  - [   0.0027878900000000,  0.0132725100000000, -0.0066884200000000 ]  - [   0.0000000000000000,  0.0175303600000000,  0.0031481300000000 ]  - [  -0.0011026900000000,  0.0116619000000000,  0.0062711200000000 ]  - [   0.0011026900000000,  0.0116619000000000,  0.0062711200000000 ]  - [   0.0023780400000000,  0.0057933800000000,  0.0002945700000000 ]  - [  -0.0023780400000000,  0.0057933800000000,  0.0002945700000000 ]  - [   0.0000000000000000,  0.0072473400000000,  0.0000985300000000 ]  - [   0.0095037300000000, -0.0157586100000000,  0.0087418100000000 ]  - [  -0.0095037300000000, -0.0157586100000000,  0.0087418100000000 ]  - [   0.0000000000000000, -0.0122544900000000,  0.0070919000000000 ]  - [   0.0059002400000000, -0.0136795700000000, -0.0085222100000000 ]  - [  -0.0059002400000000, -0.0136795700000000, -0.0085222100000000 ]  - [   0.0000000000000000, -0.0112549000000000, -0.0069569100000000 ]  - [  -0.0031525600000000, -0.0141932300000000,  0.0075039600000000 ]  - [   0.0031525600000000, -0.0141932300000000,  0.0075039600000000 ]  - [   0.0000000000000000, -0.0110602700000000,  0.0019864100000000 ]  - [  -0.0080914000000000, -0.0008959900000000, -0.0067348800000000 ]  - [   0.0080914000000000, -0.0008959900000000, -0.0067348800000000 ]  - [   0.0000000000000000,  0.0048104200000000, -0.0065964000000000 ]  - [  -0.0008926700000000,  0.0044685500000000,  0.0062861800000000 ]  - [   0.0008926700000000,  0.0044685500000000,  0.0062861800000000 ]  - [   0.0000000000000000,  0.0065193100000000,  0.0064104700000000 ]  - [   0.0000000000000000,  0.0103526300000000, -0.0129187600000000 ]  - [   0.0013225700000000,  0.0108057800000000, -0.0023336600000000 ]  - [  -0.0013225700000000,  0.0108057800000000, -0.0023336600000000 ]  - [   0.0000000000000000,  0.0202202300000000,  0.0048076000000000 ]  - [   0.0064763700000000, -0.0041746200000000,  0.0056314000000000 ]  - [  -0.0064763700000000, -0.0041746200000000,  0.0056314000000000 ]  - [   0.0000000000000000, -0.0025829200000000, -0.0053107200000000 ]  - [   0.0007351700000000, -0.0060657300000000, -0.0061071500000000 ]  - [  -0.0007351700000000, -0.0060657300000000, -0.0061071500000000 ]  - [   0.0000000000000000,  0.0172005100000000,  0.0314107300000000 ]  - [   0.0018083100000000,  0.0106989600000000,  0.0118047900000000 ]  - [  -0.0018083100000000,  0.0106989600000000,  0.0118047900000000 ]  - [   0.0000000000000000,  0.0483102200000000, -0.0208396400000000 ]  - [   0.0030299100000000,  0.0106764900000000, -0.0111906500000000 ]  - [  -0.0030299100000000,  0.0106764900000000, -0.0111906500000000 ]  - [  -0.0019118300000000, -0.0118850400000000, -0.0108737700000000 ]  - [   0.0019118300000000, -0.0118850400000000, -0.0108737700000000 ]  - [   0.0000000000000000, -0.0110510500000000, -0.0108909200000000 ]  - [  -0.0074398700000000, -0.0096594000000000,  0.0086593200000000 ]  - [   0.0074398700000000, -0.0096594000000000,  0.0086593200000000 ]  - [   0.0000000000000000, -0.0106920600000000,  0.0107858100000000 ]  - [   0.0006424200000000,  0.0104275200000000,  0.0093933000000000 ]  - [  -0.0006424200000000,  0.0104275200000000,  0.0093933000000000 ]  - [   0.0000000000000000,  0.0108589900000000,  0.0106790200000000 ]  - [   0.0157804300000000,  0.0212332700000000, -0.0120204900000000 ]  - [  -0.0157804300000000,  0.0212332700000000, -0.0120204900000000 ]  - [   0.0000000000000000,  0.0122642500000000, -0.0122732300000000 ]  - [   0.0000000000000000, -0.0099237600000000, -0.0081184800000000 ]  - [  -0.0004038000000000, -0.0107039900000000, -0.0107444200000000 ]  - [   0.0004038000000000, -0.0107039900000000, -0.0107444200000000 ]  - [   0.0000000000000000,  0.0082181000000000,  0.0304016500000000 ]  - [  -0.0029360700000000, -0.0112108200000000,  0.0128533900000000 ]  - [   0.0029360700000000, -0.0112108200000000,  0.0128533900000000 ]  - [   0.0000000000000000,  0.0025387300000000, -0.0066856100000000 ]  - [   0.0010273000000000, -0.0009536300000000, -0.0002698500000000 ]  - [  -0.0010273000000000, -0.0009536300000000, -0.0002698500000000 ]  - [   0.0000000000000000, -0.1986426900000000, -0.0249127700000000 ]  - [  -0.0001804400000000, -0.0036511200000000,  0.0016846600000000 ]  - [   0.0001804400000000, -0.0036511200000000,  0.0016846600000000 ]  - [   0.0000000000000000, -0.0116050100000000,  0.0014354600000000 ]  - [   0.0000814900000000, -0.0019427000000000, -0.0017206600000000 ]  - [  -0.0000814900000000, -0.0019427000000000, -0.0017206600000000 ]  - [   0.0000962000000000,  0.0068687000000000, -0.0025215500000000 ]  - [  -0.0000962000000000,  0.0068687000000000, -0.0025215500000000 ]  - [   0.0000000000000000,  0.0024599700000000, -0.0021299400000000 ]  - [  -0.0080903300000000,  0.0041347500000000,  0.0018287000000000 ]  - [   0.0080903300000000,  0.0041347500000000,  0.0018287000000000 ]  - [   0.0000000000000000,  0.0011887300000000,  0.0003666300000000 ]  - [  -0.0002803800000000,  0.0034204100000000,  0.0022798200000000 ]  - [   0.0002803800000000,  0.0034204100000000,  0.0022798200000000 ]  - [   0.0000000000000000,  0.0013341500000000,  0.0020584900000000 ]  - [   0.0024630600000000, -0.0008416700000000,  0.0021410500000000 ]  - [  -0.0024630600000000, -0.0008416700000000,  0.0021410500000000 ]  - [   0.0000000000000000, -0.0008405200000000,  0.0009351700000000 ]  - [  -0.0003124000000000,  0.0076875800000000,  0.0017082400000000 ]  - [   0.0003124000000000,  0.0076875800000000,  0.0017082400000000 ]  - [   0.0000000000000000,  0.0032976200000000,  0.0021415800000000 ]  - [  -0.0001234300000000,  0.0047951700000000, -0.0039682500000000 ]  - [   0.0001234300000000,  0.0047951700000000, -0.0039682500000000 ]  - [   0.0000000000000000,  0.0026456900000000, -0.0028288700000000 ]  - [   0.0000000000000000, -0.0072750100000000,  0.0214301000000000 ]  - [  -0.0001636700000000, -0.0037163100000000, -0.0018077900000000 ]  - [   0.0001636700000000, -0.0037163100000000, -0.0018077900000000 ]  - [   0.0000000000000000,  0.0072745400000000, -0.0053862200000000 ]  - [  -0.0016772800000000,  0.0010934700000000, -0.0015067800000000 ]  - [   0.0016772800000000,  0.0010934700000000, -0.0015067800000000 ]  - [   0.0000000000000000, -0.0059334300000000,  0.0065264200000000 ]  - [  -0.0000096600000000, -0.0028283400000000,  0.0029455500000000 ]  - [   0.0000096600000000, -0.0028283400000000,  0.0029455500000000 ]- atom:   64  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0507139900000000,  0.0063669400000000 ]  - [   0.0036968900000000, -0.0118666700000000,  0.0003382400000000 ]  - [  -0.0036968900000000, -0.0118666700000000,  0.0003382400000000 ]  - [   0.0000000000000000, -0.0376618700000000,  0.0019082700000000 ]  - [   0.0028729100000000,  0.0041063700000000, -0.0065366200000000 ]  - [  -0.0028729100000000,  0.0041063700000000, -0.0065366200000000 ]  - [   0.0000000000000000, -0.0001089500000000,  0.0101246700000000 ]  - [   0.0011273800000000,  0.0057283200000000,  0.0069495900000000 ]  - [  -0.0011273800000000,  0.0057283200000000,  0.0069495900000000 ]  - [  -0.0024292900000000,  0.0121412500000000, -0.0003210500000000 ]  - [   0.0024292900000000,  0.0121412500000000, -0.0003210500000000 ]  - [   0.0000000000000000,  0.0106236600000000, -0.0001035500000000 ]  - [  -0.0093884700000000, -0.0015038100000000,  0.0045071800000000 ]  - [   0.0093884700000000, -0.0015038100000000,  0.0045071800000000 ]  - [   0.0000000000000000, -0.0051126600000000,  0.0061439000000000 ]  - [  -0.0059278700000000, -0.0036786500000000, -0.0047066100000000 ]  - [   0.0059278700000000, -0.0036786500000000, -0.0047066100000000 ]  - [   0.0000000000000000, -0.0061337700000000, -0.0062654200000000 ]  - [   0.0031948600000000, -0.0036174000000000, -0.0076259100000000 ]  - [  -0.0031948600000000, -0.0036174000000000, -0.0076259100000000 ]  - [   0.0000000000000000, -0.0067597500000000, -0.0020149900000000 ]  - [   0.0081883900000000,  0.0183915500000000, -0.0064785300000000 ]  - [  -0.0081883900000000,  0.0183915500000000, -0.0064785300000000 ]  - [   0.0000000000000000,  0.0126542400000000, -0.0066254200000000 ]  - [   0.0008946600000000,  0.0129836300000000,  0.0069339400000000 ]  - [  -0.0008946600000000,  0.0129836300000000,  0.0069339400000000 ]  - [   0.0000000000000000,  0.0109243900000000,  0.0068103200000000 ]  - [   0.0000000000000000,  0.0073531500000000,  0.0129955300000000 ]  - [  -0.0013295100000000,  0.0070113000000000,  0.0023631400000000 ]  - [   0.0013295100000000,  0.0070113000000000,  0.0023631400000000 ]  - [   0.0000000000000000, -0.0415632300000000,  0.0070903200000000 ]  - [  -0.0065533600000000, -0.0133250600000000,  0.0076086300000000 ]  - [   0.0065533600000000, -0.0133250600000000,  0.0076086300000000 ]  - [   0.0000000000000000, -0.0150090500000000, -0.0079041900000000 ]  - [  -0.0007314600000000, -0.0113875300000000, -0.0071215300000000 ]  - [   0.0007314600000000, -0.0113875300000000, -0.0071215300000000 ]  - [   0.0000000000000000,  0.0049287800000000, -0.0087664800000000 ]  - [  -0.0018186400000000,  0.0113662400000000,  0.0107328800000000 ]  - [   0.0018186400000000,  0.0113662400000000,  0.0107328800000000 ]  - [   0.0000000000000000, -0.0254070300000000, -0.0018676900000000 ]  - [  -0.0030217200000000,  0.0113656100000000, -0.0113536000000000 ]  - [   0.0030217200000000,  0.0113656100000000, -0.0113536000000000 ]  - [   0.0019508300000000, -0.0101852900000000, -0.0116545300000000 ]  - [  -0.0019508300000000, -0.0101852900000000, -0.0116545300000000 ]  - [   0.0000000000000000, -0.0110137200000000, -0.0116437300000000 ]  - [   0.0075969500000000, -0.0125363400000000,  0.0139172400000000 ]  - [  -0.0075969500000000, -0.0125363400000000,  0.0139172400000000 ]  - [   0.0000000000000000, -0.0113961200000000,  0.0117484800000000 ]  - [  -0.0006390100000000,  0.0116623000000000,  0.0131702900000000 ]  - [   0.0006390100000000,  0.0116623000000000,  0.0131702900000000 ]  - [   0.0000000000000000,  0.0112102500000000,  0.0118709200000000 ]  - [  -0.0160853400000000,  0.0007595000000000, -0.0104893800000000 ]  - [   0.0160853400000000,  0.0007595000000000, -0.0104893800000000 ]  - [   0.0000000000000000,  0.0097873300000000, -0.0102513400000000 ]  - [   0.0000000000000000, -0.0121403000000000, -0.0144411600000000 ]  - [   0.0004038800000000, -0.0113655300000000, -0.0118002900000000 ]  - [  -0.0004038800000000, -0.0113655300000000, -0.0118002900000000 ]  - [   0.0000000000000000, -0.0306223900000000, -0.0082062300000000 ]  - [   0.0029738100000000, -0.0108441100000000,  0.0096594500000000 ]  - [  -0.0029738100000000, -0.0108441100000000,  0.0096594500000000 ]  - [   0.0000000000000000, -0.0043391900000000,  0.0068211200000000 ]  - [  -0.0010450500000000, -0.0008169500000000,  0.0002777800000000 ]  - [   0.0010450500000000, -0.0008169500000000,  0.0002777800000000 ]  - [   0.0000000000000000,  0.1999795800000000,  0.0308358900000000 ]  - [   0.0001645900000000,  0.0046053200000000,  0.0027131700000000 ]  - [  -0.0001645900000000,  0.0046053200000000,  0.0027131700000000 ]  - [   0.0000000000000000,  0.0125025600000000, -0.0061029200000000 ]  - [  -0.0000870900000000,  0.0028748600000000, -0.0026829700000000 ]  - [   0.0000870900000000,  0.0028748600000000, -0.0026829700000000 ]  - [  -0.0001089100000000, -0.0078755600000000, -0.0018967200000000 ]  - [   0.0001089100000000, -0.0078755600000000, -0.0018967200000000 ]  - [   0.0000000000000000, -0.0034040700000000, -0.0022746800000000 ]  - [   0.0080946400000000, -0.0024146900000000, -0.0018333200000000 ]  - [  -0.0080946400000000, -0.0024146900000000, -0.0018333200000000 ]  - [   0.0000000000000000,  0.0005772400000000, -0.0003624000000000 ]  - [   0.0002813900000000, -0.0043698500000000,  0.0021370900000000 ]  - [  -0.0002813900000000, -0.0043698500000000,  0.0021370900000000 ]  - [   0.0000000000000000, -0.0022677000000000,  0.0023373700000000 ]  - [  -0.0024797500000000, -0.0009184500000000, -0.0021719900000000 ]  - [   0.0024797500000000, -0.0009184500000000, -0.0021719900000000 ]  - [   0.0000000000000000, -0.0009263100000000, -0.0009502400000000 ]  - [   0.0002931000000000, -0.0068325200000000,  0.0026949000000000 ]  - [  -0.0002931000000000, -0.0068325200000000,  0.0026949000000000 ]  - [   0.0000000000000000, -0.0024202500000000,  0.0022557300000000 ]  - [   0.0001241300000000, -0.0039372900000000, -0.0003971600000000 ]  - [  -0.0001241300000000, -0.0039372900000000, -0.0003971600000000 ]  - [   0.0000000000000000, -0.0017642700000000, -0.0015560700000000 ]  - [   0.0000000000000000,  0.0067359000000000, -0.0259447900000000 ]  - [   0.0001610700000000,  0.0028544500000000, -0.0025877200000000 ]  - [  -0.0001610700000000,  0.0028544500000000, -0.0025877200000000 ]  - [   0.0000000000000000, -0.0056212400000000,  0.0055086800000000 ]  - [   0.0017065700000000,  0.0006776700000000,  0.0015314600000000 ]  - [  -0.0017065700000000,  0.0006776700000000,  0.0015314600000000 ]  - [   0.0000000000000000,  0.0051033600000000, -0.0021791500000000 ]  - [   0.0000081700000000,  0.0019500500000000,  0.0014441200000000 ]  - [  -0.0000081700000000,  0.0019500500000000,  0.0014441200000000 ]- atom:   64  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0098939900000000,  0.0013455700000000 ]  - [  -0.0044194600000000, -0.0085763200000000,  0.0022426600000000 ]  - [   0.0044194600000000, -0.0085763200000000,  0.0022426600000000 ]  - [   0.0000000000000000, -0.0004948600000000,  0.0470238200000000 ]  - [   0.0038725300000000,  0.0084847300000000, -0.0053369900000000 ]  - [  -0.0038725300000000,  0.0084847300000000, -0.0053369900000000 ]  - [   0.0000000000000000,  0.0079342400000000, -0.0068137000000000 ]  - [  -0.0008383300000000,  0.0095284400000000,  0.0052631300000000 ]  - [   0.0008383300000000,  0.0095284400000000,  0.0052631300000000 ]  - [  -0.0027228500000000,  0.0109319600000000, -0.0057837800000000 ]  - [   0.0027228500000000,  0.0109319600000000, -0.0057837800000000 ]  - [   0.0000000000000000,  0.0090275000000000, -0.0020723100000000 ]  - [  -0.0001578700000000, -0.0077966000000000,  0.0117958800000000 ]  - [   0.0001578700000000, -0.0077966000000000,  0.0117958800000000 ]  - [   0.0000000000000000, -0.0083149700000000,  0.0075068800000000 ]  - [   0.0060160500000000, -0.0116456300000000, -0.0095110700000000 ]  - [  -0.0060160500000000, -0.0116456300000000, -0.0095110700000000 ]  - [   0.0000000000000000, -0.0095460800000000, -0.0070569400000000 ]  - [   0.0012398900000000, -0.0087941200000000,  0.0031889500000000 ]  - [  -0.0012398900000000, -0.0087941200000000,  0.0031889500000000 ]  - [   0.0000000000000000, -0.0091177000000000,  0.0011581800000000 ]  - [  -0.0017957600000000,  0.0085483900000000, -0.0059995500000000 ]  - [   0.0017957600000000,  0.0085483900000000, -0.0059995500000000 ]  - [   0.0000000000000000,  0.0084467600000000, -0.0066131300000000 ]  - [  -0.0003592700000000,  0.0079925200000000,  0.0052083000000000 ]  - [   0.0003592700000000,  0.0079925200000000,  0.0052083000000000 ]  - [   0.0000000000000000,  0.0084065700000000,  0.0062339000000000 ]  - [   0.0000000000000000,  0.0019326600000000, -0.0127934300000000 ]  - [   0.0008787900000000,  0.0090020100000000, -0.0014733600000000 ]  - [  -0.0008787900000000,  0.0090020100000000, -0.0014733600000000 ]  - [   0.0000000000000000,  0.0151581200000000,  0.0272619400000000 ]  - [   0.0005814800000000, -0.0082932700000000,  0.0074666200000000 ]  - [  -0.0005814800000000, -0.0082932700000000,  0.0074666200000000 ]  - [   0.0000000000000000,  0.0017504600000000, -0.0126219800000000 ]  - [  -0.0006747000000000, -0.0078637400000000, -0.0069572000000000 ]  - [   0.0006747000000000, -0.0078637400000000, -0.0069572000000000 ]  - [   0.0000000000000000,  0.0169948600000000,  0.0295784800000000 ]  - [   0.0018253300000000,  0.0104740600000000,  0.0114886600000000 ]  - [  -0.0018253300000000,  0.0104740600000000,  0.0114886600000000 ]  - [   0.0000000000000000,  0.0066838900000000, -0.0261797300000000 ]  - [  -0.0001833700000000,  0.0108710100000000, -0.0137830300000000 ]  - [   0.0001833700000000,  0.0108710100000000, -0.0137830300000000 ]  - [  -0.0019659900000000, -0.0104753600000000, -0.0080487200000000 ]  - [   0.0019659900000000, -0.0104753600000000, -0.0080487200000000 ]  - [   0.0000000000000000, -0.0108157600000000, -0.0100633700000000 ]  - [   0.0107846500000000, -0.0171050300000000,  0.0132785900000000 ]  - [  -0.0107846500000000, -0.0171050300000000,  0.0132785900000000 ]  - [   0.0000000000000000, -0.0123179200000000,  0.0114441800000000 ]  - [  -0.0010047700000000,  0.0098212500000000,  0.0113743300000000 ]  - [   0.0010047700000000,  0.0098212500000000,  0.0113743300000000 ]  - [   0.0000000000000000,  0.0107322600000000,  0.0110707700000000 ]  - [   0.0019993900000000,  0.0119672300000000, -0.0139004200000000 ]  - [  -0.0019993900000000,  0.0119672300000000, -0.0139004200000000 ]  - [   0.0000000000000000,  0.0112692300000000, -0.0117697300000000 ]  - [   0.0000000000000000, -0.0113090500000000, -0.0068670400000000 ]  - [   0.0000364700000000, -0.0109980000000000, -0.0106135600000000 ]  - [  -0.0000364700000000, -0.0109980000000000, -0.0106135600000000 ]  - [   0.0000000000000000, -0.0080726000000000,  0.0147701000000000 ]  - [  -0.0006481900000000, -0.0113278600000000,  0.0112743300000000 ]  - [   0.0006481900000000, -0.0113278600000000,  0.0112743300000000 ]  - [   0.0000000000000000, -0.0053724000000000,  0.0138123800000000 ]  - [  -0.0008008000000000, -0.0007438300000000,  0.0012946800000000 ]  - [   0.0008008000000000, -0.0007438300000000,  0.0012946800000000 ]  - [   0.0000000000000000, -0.0286433900000000, -0.1549037200000000 ]  - [   0.0002578800000000, -0.0000769600000000,  0.0006604000000000 ]  - [  -0.0002578800000000, -0.0000769600000000,  0.0006604000000000 ]  - [   0.0000000000000000, -0.0033654100000000,  0.0332431200000000 ]  - [   0.0003809100000000, -0.0000345500000000, -0.0019321200000000 ]  - [  -0.0003809100000000, -0.0000345500000000, -0.0019321200000000 ]  - [   0.0001145700000000, -0.0007348300000000, -0.0022898400000000 ]  - [  -0.0001145700000000, -0.0007348300000000, -0.0022898400000000 ]  - [   0.0000000000000000, -0.0003735100000000, -0.0020007700000000 ]  - [  -0.0085757400000000,  0.0063919700000000,  0.0001771900000000 ]  - [   0.0085757400000000,  0.0063919700000000,  0.0001771900000000 ]  - [   0.0000000000000000,  0.0015510500000000, -0.0008701800000000 ]  - [  -0.0001959900000000, -0.0005153100000000,  0.0048581700000000 ]  - [   0.0001959900000000, -0.0005153100000000,  0.0048581700000000 ]  - [   0.0000000000000000, -0.0003082800000000,  0.0027895600000000 ]  - [   0.0014294500000000, -0.0002772100000000,  0.0010340300000000 ]  - [  -0.0014294500000000, -0.0002772100000000,  0.0010340300000000 ]  - [   0.0000000000000000, -0.0007408200000000,  0.0004043800000000 ]  - [   0.0003406400000000, -0.0000231700000000,  0.0011970800000000 ]  - [  -0.0003406400000000, -0.0000231700000000,  0.0011970800000000 ]  - [   0.0000000000000000,  0.0004040400000000,  0.0018999100000000 ]  - [  -0.0003693000000000,  0.0022539300000000, -0.0022889100000000 ]  - [   0.0003693000000000,  0.0022539300000000, -0.0022889100000000 ]  - [   0.0000000000000000,  0.0010966800000000, -0.0023697500000000 ]  - [   0.0000000000000000,  0.0229190400000000,  0.0372576000000000 ]  - [  -0.0003150300000000, -0.0000736300000000, -0.0021857900000000 ]  - [   0.0003150300000000, -0.0000736300000000, -0.0021857900000000 ]  - [   0.0000000000000000, -0.0021319900000000, -0.0008278100000000 ]  - [   0.0000311200000000,  0.0009655800000000, -0.0006405600000000 ]  - [  -0.0000311200000000,  0.0009655800000000, -0.0006405600000000 ]  - [   0.0000000000000000, -0.0048250400000000,  0.0092669100000000 ]  - [   0.0000252600000000, -0.0012094500000000,  0.0028198700000000 ]  - [  -0.0000252600000000, -0.0012094500000000,  0.0028198700000000 ]- atom:   64  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0067337800000000, -0.0005326300000000 ]  - [   0.0043988100000000, -0.0092448000000000, -0.0022171400000000 ]  - [  -0.0043988100000000, -0.0092448000000000, -0.0022171400000000 ]  - [   0.0000000000000000,  0.0205087400000000, -0.0639968800000000 ]  - [  -0.0038929500000000,  0.0089637100000000, -0.0079039400000000 ]  - [   0.0038929500000000,  0.0089637100000000, -0.0079039400000000 ]  - [   0.0000000000000000,  0.0094654900000000,  0.0200589900000000 ]  - [   0.0008229500000000,  0.0079049700000000,  0.0079576200000000 ]  - [  -0.0008229500000000,  0.0079049700000000,  0.0079576200000000 ]  - [   0.0027538700000000,  0.0068767000000000,  0.0057605500000000 ]  - [  -0.0027538700000000,  0.0068767000000000,  0.0057605500000000 ]  - [   0.0000000000000000,  0.0088049300000000,  0.0020663600000000 ]  - [   0.0001288400000000, -0.0096778000000000,  0.0014276000000000 ]  - [  -0.0001288400000000, -0.0096778000000000,  0.0014276000000000 ]  - [   0.0000000000000000, -0.0091217700000000,  0.0057111300000000 ]  - [  -0.0059768900000000, -0.0058017000000000, -0.0037006800000000 ]  - [   0.0059768900000000, -0.0058017000000000, -0.0037006800000000 ]  - [   0.0000000000000000, -0.0078863100000000, -0.0061627200000000 ]  - [  -0.0012393900000000, -0.0090869100000000, -0.0030934300000000 ]  - [   0.0012393900000000, -0.0090869100000000, -0.0030934300000000 ]  - [   0.0000000000000000, -0.0087405700000000, -0.0011319800000000 ]  - [   0.0017377800000000,  0.0088029900000000, -0.0072429500000000 ]  - [  -0.0017377800000000,  0.0088029900000000, -0.0072429500000000 ]  - [   0.0000000000000000,  0.0089443600000000, -0.0066099600000000 ]  - [   0.0003740100000000,  0.0094027500000000,  0.0080113400000000 ]  - [  -0.0003740100000000,  0.0094027500000000,  0.0080113400000000 ]  - [   0.0000000000000000,  0.0089978200000000,  0.0069817400000000 ]  - [   0.0000000000000000,  0.0160837000000000,  0.0127723000000000 ]  - [  -0.0008837400000000,  0.0088550500000000,  0.0014405300000000 ]  - [   0.0008837400000000,  0.0088550500000000,  0.0014405300000000 ]  - [   0.0000000000000000, -0.0336129400000000, -0.0142172500000000 ]  - [  -0.0005179500000000, -0.0090997100000000,  0.0057393800000000 ]  - [   0.0005179500000000, -0.0090997100000000,  0.0057393800000000 ]  - [   0.0000000000000000, -0.0190832000000000, -0.0005523000000000 ]  - [   0.0006756900000000, -0.0095383800000000, -0.0062511800000000 ]  - [  -0.0006756900000000, -0.0095383800000000, -0.0062511800000000 ]  - [   0.0000000000000000,  0.0051208800000000, -0.0069489600000000 ]  - [  -0.0018118600000000,  0.0115911100000000,  0.0110413600000000 ]  - [   0.0018118600000000,  0.0115911100000000,  0.0110413600000000 ]  - [   0.0000000000000000,  0.0152788800000000,  0.0036560900000000 ]  - [   0.0001871800000000,  0.0112051500000000, -0.0087586500000000 ]  - [  -0.0001871800000000,  0.0112051500000000, -0.0087586500000000 ]  - [   0.0019302900000000, -0.0115890000000000, -0.0144817400000000 ]  - [  -0.0019302900000000, -0.0115890000000000, -0.0144817400000000 ]  - [   0.0000000000000000, -0.0112492200000000, -0.0124696300000000 ]  - [  -0.0109211100000000, -0.0049376900000000,  0.0092987500000000 ]  - [   0.0109211100000000, -0.0049376900000000,  0.0092987500000000 ]  - [   0.0000000000000000, -0.0097431300000000,  0.0110964300000000 ]  - [   0.0009947700000000,  0.0122411500000000,  0.0111377000000000 ]  - [  -0.0009947700000000,  0.0122411500000000,  0.0111377000000000 ]  - [   0.0000000000000000,  0.0113287600000000,  0.0114561100000000 ]  - [  -0.0018825600000000,  0.0102221300000000, -0.0086440900000000 ]  - [   0.0018825600000000,  0.0102221300000000, -0.0086440900000000 ]  - [   0.0000000000000000,  0.0108096000000000, -0.0107780500000000 ]  - [   0.0000000000000000, -0.0107745200000000, -0.0156895900000000 ]  - [  -0.0000283400000000, -0.0110668000000000, -0.0119158800000000 ]  - [   0.0000283400000000, -0.0110668000000000, -0.0119158800000000 ]  - [   0.0000000000000000, -0.0138301600000000,  0.0079783000000000 ]  - [   0.0006249000000000, -0.0107408100000000,  0.0112850100000000 ]  - [  -0.0006249000000000, -0.0107408100000000,  0.0112850100000000 ]  - [   0.0000000000000000,  0.0036503800000000, -0.0139465300000000 ]  - [   0.0008098500000000, -0.0010285300000000, -0.0012925400000000 ]  - [  -0.0008098500000000, -0.0010285300000000, -0.0012925400000000 ]  - [   0.0000000000000000,  0.0270290300000000,  0.1621996700000000 ]  - [  -0.0002693400000000,  0.0009531800000000,  0.0037309700000000 ]  - [   0.0002693400000000,  0.0009531800000000,  0.0037309700000000 ]  - [   0.0000000000000000,  0.0041779300000000, -0.0369957700000000 ]  - [  -0.0003808600000000,  0.0009309700000000, -0.0024682800000000 ]  - [   0.0003808600000000,  0.0009309700000000, -0.0024682800000000 ]  - [  -0.0001075100000000, -0.0001126500000000, -0.0020911100000000 ]  - [   0.0001075100000000, -0.0001126500000000, -0.0020911100000000 ]  - [   0.0000000000000000, -0.0005137600000000, -0.0023873400000000 ]  - [   0.0084753300000000, -0.0046081700000000, -0.0002012800000000 ]  - [  -0.0084753300000000, -0.0046081700000000, -0.0002012800000000 ]  - [   0.0000000000000000,  0.0002243200000000,  0.0008630000000000 ]  - [   0.0001954000000000, -0.0003756300000000, -0.0004581800000000 ]  - [  -0.0001954000000000, -0.0003756300000000, -0.0004581800000000 ]  - [   0.0000000000000000, -0.0005884500000000,  0.0016048500000000 ]  - [  -0.0014416900000000, -0.0015093300000000, -0.0010157200000000 ]  - [   0.0014416900000000, -0.0015093300000000, -0.0010157200000000 ]  - [   0.0000000000000000, -0.0010319800000000, -0.0003943300000000 ]  - [  -0.0003385700000000,  0.0009663100000000,  0.0031850800000000 ]  - [   0.0003385700000000,  0.0009663100000000,  0.0031850800000000 ]  - [   0.0000000000000000,  0.0005180400000000,  0.0024941800000000 ]  - [   0.0003639600000000, -0.0013146800000000, -0.0021276700000000 ]  - [  -0.0003639600000000, -0.0013146800000000, -0.0021276700000000 ]  - [   0.0000000000000000, -0.0001721500000000, -0.0020360900000000 ]  - [   0.0000000000000000, -0.0244675800000000, -0.0423912900000000 ]  - [   0.0003145300000000, -0.0008576100000000, -0.0021950600000000 ]  - [  -0.0003145300000000, -0.0008576100000000, -0.0021950600000000 ]  - [   0.0000000000000000,  0.0038825400000000,  0.0008304000000000 ]  - [  -0.0000374900000000,  0.0008084100000000,  0.0006228700000000 ]  - [   0.0000374900000000,  0.0008084100000000,  0.0006228700000000 ]  - [   0.0000000000000000,  0.0038823600000000, -0.0048625800000000 ]  - [  -0.0000241100000000,  0.0002865000000000,  0.0015879200000000 ]  - [   0.0000241100000000,  0.0002865000000000,  0.0015879200000000 ]