# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d8ad1035-181f-4946-9fde-b8a0b9496c7e/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 Rb2NbCuS4 / Fddd (70) / materials id 15221](https://mdr.nims.go.jp/datasets/af8bd2d2-5bd6-4a7b-ad59-e3ea19cf3fed)

## 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: "Fddd"  number: 70  Hall_symbol: "F 2 2 -1d"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     6.731691750000000,    11.822080039999999 ] # a  - [     2.761551940000000,     0.000000000000000,    11.822080039999999 ] # b  - [     2.761551940000000,     6.731691750000000,     0.000000000000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.295089510000000,  0.595878770000000,  0.899690330000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.209341390000000,  0.899690330000000,  0.595878770000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.899690330000000,  0.209341390000000,  0.295089510000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.595878770000000,  0.295089510000000,  0.209341390000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.654121230000000,  0.954910490000000,  0.040658610000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.040658610000000,  0.350309670000000,  0.654121230000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.350309670000000,  0.040658610000000,  0.954910490000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.954910490000000,  0.654121230000000,  0.350309670000000 ]    mass: 32.065000  - symbol: Cu # 9    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 63.546000  - symbol: Cu # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000  - symbol: Rb # 11    coordinates: [  0.678214240000000,  0.678214240000000,  0.321785760000000 ]    mass: 85.467800  - symbol: Rb # 12    coordinates: [  0.321785760000000,  0.321785760000000,  0.678214240000000 ]    mass: 85.467800  - symbol: Rb # 13    coordinates: [  0.571785760000000,  0.571785760000000,  0.928214240000000 ]    mass: 85.467800  - symbol: Rb # 14    coordinates: [  0.928214240000000,  0.928214240000000,  0.571785760000000 ]    mass: 85.467800  - symbol: Nb # 15    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 92.906380  - symbol: Nb # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 92.906380  reciprocal_lattice: # without 2pi  - [    -0.181057612119365,     0.074275534081013,     0.042293741736501 ] # a*  - [     0.181057612119365,    -0.074275534081013,     0.042293741736501 ] # b*  - [     0.181057612119365,     0.074275534081013,    -0.042293741736501 ] # c*unit_cell:  lattice:  - [     5.523103880000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.463383500000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    23.644160079999999 ] # c  points:  - symbol: S  # 1    coordinates: [  0.747784550000000,  0.597389920000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.747784550000000,  0.402610080000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.252215450000000,  0.597389920000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.252215450000000,  0.402610080000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.497784550000000,  0.347389920000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.002215450000000,  0.347389920000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.497784550000000,  0.152610080000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.002215450000000,  0.152610080000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.747784550000000,  0.097389920000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 10    coordinates: [  0.747784550000000,  0.902610080000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 11    coordinates: [  0.252215450000000,  0.097389920000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 12    coordinates: [  0.252215450000000,  0.902610080000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 13    coordinates: [  0.497784550000000,  0.847389920000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 14    coordinates: [  0.002215450000000,  0.847389920000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 15    coordinates: [  0.497784550000000,  0.652610080000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 16    coordinates: [  0.002215450000000,  0.652610080000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 17    coordinates: [  0.247784550000000,  0.597389920000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 18    coordinates: [  0.247784550000000,  0.402610080000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 19    coordinates: [  0.752215450000000,  0.597389920000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 20    coordinates: [  0.752215450000000,  0.402610080000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 21    coordinates: [  0.997784550000000,  0.347389920000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 22    coordinates: [  0.502215450000000,  0.347389920000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 23    coordinates: [  0.997784550000000,  0.152610080000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 24    coordinates: [  0.502215450000000,  0.152610080000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 25    coordinates: [  0.247784550000000,  0.097389920000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 26    coordinates: [  0.247784550000000,  0.902610080000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 27    coordinates: [  0.752215450000000,  0.097389920000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 28    coordinates: [  0.752215450000000,  0.902610080000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 29    coordinates: [  0.997784550000000,  0.847389920000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 30    coordinates: [  0.502215450000000,  0.847389920000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 31    coordinates: [  0.997784550000000,  0.652610080000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 32    coordinates: [  0.502215450000000,  0.652610080000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 8  - symbol: Cu # 33    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 34    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 34  - symbol: Cu # 35    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 34  - symbol: Cu # 37    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 34  - symbol: Cu # 39    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 40    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 34  - symbol: Rb # 41    coordinates: [  0.500000000000000,  0.500000000000000,  0.678214240000000 ]    mass: 85.467800    reduced_to: 41  - symbol: Rb # 42    coordinates: [  0.000000000000000,  0.500000000000000,  0.821785760000000 ]    mass: 85.467800    reduced_to: 42  - symbol: Rb # 43    coordinates: [  0.250000000000000,  0.250000000000000,  0.571785760000000 ]    mass: 85.467800    reduced_to: 43  - symbol: Rb # 44    coordinates: [  0.750000000000000,  0.250000000000000,  0.428214240000000 ]    mass: 85.467800    reduced_to: 44  - symbol: Rb # 45    coordinates: [  0.500000000000000,  0.000000000000000,  0.178214240000000 ]    mass: 85.467800    reduced_to: 41  - symbol: Rb # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.321785760000000 ]    mass: 85.467800    reduced_to: 42  - symbol: Rb # 47    coordinates: [  0.250000000000000,  0.750000000000000,  0.071785760000000 ]    mass: 85.467800    reduced_to: 43  - symbol: Rb # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.928214240000000 ]    mass: 85.467800    reduced_to: 44  - symbol: Rb # 49    coordinates: [  0.000000000000000,  0.500000000000000,  0.178214240000000 ]    mass: 85.467800    reduced_to: 41  - symbol: Rb # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.321785760000000 ]    mass: 85.467800    reduced_to: 42  - symbol: Rb # 51    coordinates: [  0.750000000000000,  0.250000000000000,  0.071785760000000 ]    mass: 85.467800    reduced_to: 43  - symbol: Rb # 52    coordinates: [  0.250000000000000,  0.250000000000000,  0.928214240000000 ]    mass: 85.467800    reduced_to: 44  - symbol: Rb # 53    coordinates: [  0.000000000000000,  0.000000000000000,  0.678214240000000 ]    mass: 85.467800    reduced_to: 41  - symbol: Rb # 54    coordinates: [  0.500000000000000,  0.000000000000000,  0.821785760000000 ]    mass: 85.467800    reduced_to: 42  - symbol: Rb # 55    coordinates: [  0.750000000000000,  0.750000000000000,  0.571785760000000 ]    mass: 85.467800    reduced_to: 43  - symbol: Rb # 56    coordinates: [  0.250000000000000,  0.750000000000000,  0.428214240000000 ]    mass: 85.467800    reduced_to: 44  - symbol: Nb # 57    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 92.906380    reduced_to: 57  - symbol: Nb # 58    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 92.906380    reduced_to: 58  - symbol: Nb # 59    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 92.906380    reduced_to: 57  - symbol: Nb # 60    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 92.906380    reduced_to: 58  - symbol: Nb # 61    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 92.906380    reduced_to: 57  - symbol: Nb # 62    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 92.906380    reduced_to: 58  - symbol: Nb # 63    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 92.906380    reduced_to: 57  - symbol: Nb # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 92.906380    reduced_to: 58supercell:  lattice:  - [    11.046207760000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.463383500000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    23.644160079999999 ] # c  points:  - symbol: S  # 1    coordinates: [  0.373892275000000,  0.597389920000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.873892275000000,  0.597389920000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.373892275000000,  0.402610080000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.873892275000000,  0.402610080000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 5    coordinates: [  0.126107725000000,  0.597389920000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.626107725000000,  0.597389920000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 7    coordinates: [  0.126107725000000,  0.402610080000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.626107725000000,  0.402610080000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 9    coordinates: [  0.248892275000000,  0.347389920000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.748892275000000,  0.347389920000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 11    coordinates: [  0.001107725000000,  0.347389920000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.501107725000000,  0.347389920000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 13    coordinates: [  0.248892275000000,  0.152610080000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.748892275000000,  0.152610080000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 15    coordinates: [  0.001107725000000,  0.152610080000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.501107725000000,  0.152610080000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 17    coordinates: [  0.373892275000000,  0.097389920000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 18    coordinates: [  0.873892275000000,  0.097389920000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 19    coordinates: [  0.373892275000000,  0.902610080000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 20    coordinates: [  0.873892275000000,  0.902610080000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 21    coordinates: [  0.126107725000000,  0.097389920000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 22    coordinates: [  0.626107725000000,  0.097389920000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 23    coordinates: [  0.126107725000000,  0.902610080000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 24    coordinates: [  0.626107725000000,  0.902610080000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 25    coordinates: [  0.248892275000000,  0.847389920000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 26    coordinates: [  0.748892275000000,  0.847389920000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 27    coordinates: [  0.001107725000000,  0.847389920000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 28    coordinates: [  0.501107725000000,  0.847389920000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 29    coordinates: [  0.248892275000000,  0.652610080000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 30    coordinates: [  0.748892275000000,  0.652610080000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 31    coordinates: [  0.001107725000000,  0.652610080000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 32    coordinates: [  0.501107725000000,  0.652610080000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 33    coordinates: [  0.123892275000000,  0.597389920000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 34    coordinates: [  0.623892275000000,  0.597389920000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 35    coordinates: [  0.123892275000000,  0.402610080000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 36    coordinates: [  0.623892275000000,  0.402610080000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 37    coordinates: [  0.376107725000000,  0.597389920000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 38    coordinates: [  0.876107725000000,  0.597389920000000,  0.054515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 39    coordinates: [  0.376107725000000,  0.402610080000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 40    coordinates: [  0.876107725000000,  0.402610080000000,  0.945484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 41    coordinates: [  0.498892275000000,  0.347389920000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 42    coordinates: [  0.998892275000000,  0.347389920000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 43    coordinates: [  0.251107725000000,  0.347389920000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 44    coordinates: [  0.751107725000000,  0.347389920000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 45    coordinates: [  0.498892275000000,  0.152610080000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 46    coordinates: [  0.998892275000000,  0.152610080000000,  0.195484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 47    coordinates: [  0.251107725000000,  0.152610080000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 48    coordinates: [  0.751107725000000,  0.152610080000000,  0.304515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 49    coordinates: [  0.123892275000000,  0.097389920000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 50    coordinates: [  0.623892275000000,  0.097389920000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 51    coordinates: [  0.123892275000000,  0.902610080000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 52    coordinates: [  0.623892275000000,  0.902610080000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 53    coordinates: [  0.376107725000000,  0.097389920000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 54    coordinates: [  0.876107725000000,  0.097389920000000,  0.554515860000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 55    coordinates: [  0.376107725000000,  0.902610080000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 56    coordinates: [  0.876107725000000,  0.902610080000000,  0.445484140000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 57    coordinates: [  0.498892275000000,  0.847389920000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 58    coordinates: [  0.998892275000000,  0.847389920000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 59    coordinates: [  0.251107725000000,  0.847389920000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 60    coordinates: [  0.751107725000000,  0.847389920000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 61    coordinates: [  0.498892275000000,  0.652610080000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 62    coordinates: [  0.998892275000000,  0.652610080000000,  0.695484140000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 63    coordinates: [  0.251107725000000,  0.652610080000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 64    coordinates: [  0.751107725000000,  0.652610080000000,  0.804515860000000 ]    mass: 32.065000    reduced_to: 15  - symbol: Cu # 65    coordinates: [  0.375000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 66    coordinates: [  0.875000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 69    coordinates: [  0.375000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 70    coordinates: [  0.875000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 71    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 72    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 73    coordinates: [  0.125000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 74    coordinates: [  0.625000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 75    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 76    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 77    coordinates: [  0.125000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 78    coordinates: [  0.625000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 65  - symbol: Cu # 79    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Cu # 80    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 67  - symbol: Rb # 81    coordinates: [  0.250000000000000,  0.500000000000000,  0.678214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 82    coordinates: [  0.750000000000000,  0.500000000000000,  0.678214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.821785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.821785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 85    coordinates: [  0.125000000000000,  0.250000000000000,  0.571785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 86    coordinates: [  0.625000000000000,  0.250000000000000,  0.571785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 87    coordinates: [  0.375000000000000,  0.250000000000000,  0.428214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 88    coordinates: [  0.875000000000000,  0.250000000000000,  0.428214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 89    coordinates: [  0.250000000000000,  0.000000000000000,  0.178214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 90    coordinates: [  0.750000000000000,  0.000000000000000,  0.178214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.321785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 92    coordinates: [  0.500000000000000,  0.000000000000000,  0.321785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 93    coordinates: [  0.125000000000000,  0.750000000000000,  0.071785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 94    coordinates: [  0.625000000000000,  0.750000000000000,  0.071785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 95    coordinates: [  0.375000000000000,  0.750000000000000,  0.928214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 96    coordinates: [  0.875000000000000,  0.750000000000000,  0.928214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 97    coordinates: [  0.000000000000000,  0.500000000000000,  0.178214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 98    coordinates: [  0.500000000000000,  0.500000000000000,  0.178214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 99    coordinates: [  0.250000000000000,  0.500000000000000,  0.321785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 100    coordinates: [  0.750000000000000,  0.500000000000000,  0.321785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 101    coordinates: [  0.375000000000000,  0.250000000000000,  0.071785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 102    coordinates: [  0.875000000000000,  0.250000000000000,  0.071785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 103    coordinates: [  0.125000000000000,  0.250000000000000,  0.928214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 104    coordinates: [  0.625000000000000,  0.250000000000000,  0.928214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 105    coordinates: [  0.000000000000000,  0.000000000000000,  0.678214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 106    coordinates: [  0.500000000000000,  0.000000000000000,  0.678214240000000 ]    mass: 85.467800    reduced_to: 81  - symbol: Rb # 107    coordinates: [  0.250000000000000,  0.000000000000000,  0.821785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 108    coordinates: [  0.750000000000000,  0.000000000000000,  0.821785760000000 ]    mass: 85.467800    reduced_to: 83  - symbol: Rb # 109    coordinates: [  0.375000000000000,  0.750000000000000,  0.571785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 110    coordinates: [  0.875000000000000,  0.750000000000000,  0.571785760000000 ]    mass: 85.467800    reduced_to: 85  - symbol: Rb # 111    coordinates: [  0.125000000000000,  0.750000000000000,  0.428214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Rb # 112    coordinates: [  0.625000000000000,  0.750000000000000,  0.428214240000000 ]    mass: 85.467800    reduced_to: 87  - symbol: Nb # 113    coordinates: [  0.125000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 114    coordinates: [  0.625000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 115    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 116    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 117    coordinates: [  0.125000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 118    coordinates: [  0.625000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 119    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 120    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 121    coordinates: [  0.375000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 122    coordinates: [  0.875000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 123    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 124    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 125    coordinates: [  0.375000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 126    coordinates: [  0.875000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 92.906380    reduced_to: 113  - symbol: Nb # 127    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 92.906380    reduced_to: 115  - symbol: Nb # 128    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 92.906380    reduced_to: 115displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0842954800000000, -0.0332255300000000,  0.0328206400000000 ]  - [   0.0004466400000000,  0.0008282200000000, -0.0001366200000000 ]  - [  -0.0083246900000000, -0.0002417300000000,  0.0000141500000000 ]  - [   0.0007580400000000, -0.0010647200000000,  0.0004275600000000 ]  - [   0.0045787100000000, -0.0020085600000000, -0.0044645500000000 ]  - [   0.0056128600000000, -0.0003770800000000,  0.0029017700000000 ]  - [   0.0040274300000000,  0.0038521600000000,  0.0024723800000000 ]  - [   0.0047231500000000, -0.0033917800000000,  0.0008017000000000 ]  - [  -0.0002538800000000,  0.0004842300000000, -0.0001925600000000 ]  - [  -0.0002847500000000,  0.0004157700000000, -0.0001738400000000 ]  - [   0.0002985700000000,  0.0005311800000000,  0.0000704600000000 ]  - [   0.0001656100000000,  0.0005684000000000,  0.0000177800000000 ]  - [  -0.0002867700000000, -0.0004406000000000,  0.0001368600000000 ]  - [  -0.0002760300000000, -0.0004394100000000,  0.0001850900000000 ]  - [   0.0002694800000000, -0.0004303900000000, -0.0001966500000000 ]  - [   0.0002671300000000, -0.0004275900000000, -0.0001910300000000 ]  - [  -0.0002521200000000,  0.0004943100000000,  0.0001140700000000 ]  - [  -0.0002578700000000,  0.0005027000000000,  0.0001046900000000 ]  - [  -0.0002871400000000, -0.0004310300000000, -0.0002050400000000 ]  - [  -0.0002761000000000, -0.0004476200000000, -0.0001852700000000 ]  - [   0.0002661500000000,  0.0004767800000000, -0.0001533100000000 ]  - [   0.0002666800000000,  0.0004636500000000, -0.0001761700000000 ]  - [   0.0002591100000000, -0.0004941000000000,  0.0001083800000000 ]  - [   0.0002562800000000, -0.0004817100000000,  0.0001172600000000 ]  - [  -0.0003736500000000,  0.0004570700000000, -0.0000993700000000 ]  - [  -0.0000366700000000,  0.0006620000000000,  0.0000122100000000 ]  - [   0.0002994200000000,  0.0004447800000000,  0.0001600700000000 ]  - [   0.0001684400000000,  0.0006789500000000, -0.0000284100000000 ]  - [  -0.0003299100000000, -0.0004735100000000,  0.0001748800000000 ]  - [  -0.0000723700000000, -0.0006665900000000, -0.0000275600000000 ]  - [   0.0002751500000000, -0.0006198800000000,  0.0001036500000000 ]  - [   0.0007730000000000,  0.0001445100000000, -0.0014593300000000 ]  - [  -0.0002532100000000,  0.0004850900000000,  0.0001168200000000 ]  - [  -0.0002600200000000,  0.0004884700000000,  0.0001099600000000 ]  - [  -0.0002617100000000, -0.0004673700000000, -0.0001626500000000 ]  - [  -0.0002684700000000, -0.0004705800000000, -0.0001702300000000 ]  - [   0.0002680400000000,  0.0004391800000000, -0.0001964900000000 ]  - [   0.0002932600000000,  0.0004373200000000, -0.0001953300000000 ]  - [   0.0002490800000000, -0.0004949500000000,  0.0001121500000000 ]  - [   0.0002591100000000, -0.0004997200000000,  0.0001061800000000 ]  - [  -0.0003743300000000,  0.0003058400000000, -0.0002490100000000 ]  - [  -0.0000286600000000,  0.0006721300000000,  0.0001656000000000 ]  - [   0.0001929300000000,  0.0005226500000000,  0.0001568400000000 ]  - [   0.0003397500000000,  0.0003831400000000,  0.0002020000000000 ]  - [  -0.0002891000000000, -0.0004528400000000,  0.0001398200000000 ]  - [  -0.0002694700000000, -0.0004062900000000,  0.0001964000000000 ]  - [   0.0001814900000000, -0.0004902400000000, -0.0000416900000000 ]  - [   0.0003733200000000, -0.0003568600000000, -0.0002534200000000 ]  - [  -0.0002042200000000,  0.0006927000000000,  0.0001046700000000 ]  - [  -0.0002073000000000,  0.0005656300000000,  0.0001084000000000 ]  - [  -0.0001994400000000, -0.0007932900000000, -0.0000431300000000 ]  - [  -0.0002039200000000, -0.0004410100000000, -0.0000676200000000 ]  - [   0.0001165800000000,  0.0008263200000000,  0.0000903700000000 ]  - [   0.0003788200000000,  0.0004541500000000, -0.0001478200000000 ]  - [   0.0004206000000000,  0.0002212200000000,  0.0005318500000000 ]  - [   0.0007093800000000, -0.0003194300000000,  0.0002541400000000 ]  - [  -0.0002567500000000,  0.0004615400000000, -0.0001660800000000 ]  - [  -0.0002848000000000,  0.0004249000000000, -0.0001952100000000 ]  - [   0.0002003100000000,  0.0004699000000000,  0.0001850100000000 ]  - [   0.0003401300000000,  0.0004094400000000,  0.0002396600000000 ]  - [  -0.0003310600000000, -0.0004763000000000,  0.0002114000000000 ]  - [  -0.0000717300000000, -0.0006391300000000, -0.0000675700000000 ]  - [   0.0002252500000000, -0.0005246400000000, -0.0001568100000000 ]  - [   0.0003158300000000, -0.0004132900000000, -0.0001964400000000 ]  - [  -0.0000070200000000, -0.0000158400000000, -0.0000001900000000 ]  - [  -0.0000187200000000, -0.0000133700000000,  0.0000200400000000 ]  - [   0.0003304600000000,  0.0001348700000000, -0.0001762900000000 ]  - [   0.0066128000000000, -0.0072588100000000,  0.0070548700000000 ]  - [   0.0000639000000000, -0.0001215900000000,  0.0000529900000000 ]  - [  -0.0000063100000000,  0.0000689400000000, -0.0000023800000000 ]  - [  -0.0000035400000000, -0.0000045600000000,  0.0000112100000000 ]  - [  -0.0000030100000000, -0.0000039500000000,  0.0000118900000000 ]  - [   0.0000148100000000, -0.0000223000000000, -0.0000254800000000 ]  - [  -0.0000070000000000,  0.0000142800000000,  0.0000167300000000 ]  - [   0.0000035200000000,  0.0000048500000000,  0.0000113800000000 ]  - [   0.0000030300000000,  0.0000035200000000,  0.0000118200000000 ]  - [   0.0000177700000000,  0.0000351600000000,  0.0000195100000000 ]  - [   0.0000075000000000, -0.0000027000000000,  0.0000047700000000 ]  - [   0.0000454100000000, -0.0000477400000000, -0.0001535300000000 ]  - [  -0.0000013300000000, -0.0000201400000000,  0.0000425600000000 ]  - [   0.0001418900000000, -0.0000810100000000,  0.0004387700000000 ]  - [  -0.0000579500000000,  0.0000729900000000, -0.0002049100000000 ]  - [  -0.0000081000000000, -0.0000010100000000,  0.0000899100000000 ]  - [   0.0000088100000000,  0.0000139100000000,  0.0000757300000000 ]  - [  -0.0001320600000000, -0.0004439800000000,  0.0004005500000000 ]  - [   0.0002192900000000, -0.0001369600000000, -0.0001431400000000 ]  - [   0.0004775400000000, -0.0001168900000000, -0.0002787600000000 ]  - [  -0.0005126700000000, -0.0002041500000000, -0.0000842100000000 ]  - [   0.0000385000000000, -0.0000535200000000, -0.0000045600000000 ]  - [  -0.0000399700000000, -0.0000974200000000,  0.0000293900000000 ]  - [  -0.0000478800000000, -0.0000459100000000, -0.0000417500000000 ]  - [   0.0000387000000000, -0.0001435500000000,  0.0000702500000000 ]  - [   0.0000000500000000, -0.0000013400000000,  0.0000815600000000 ]  - [   0.0000005000000000,  0.0000029900000000,  0.0001294300000000 ]  - [   0.0000016000000000,  0.0000011000000000,  0.0000108000000000 ]  - [  -0.0000008700000000, -0.0000008100000000,  0.0000166500000000 ]  - [  -0.0000265400000000,  0.0000618300000000, -0.0000326800000000 ]  - [   0.0000285200000000,  0.0000943000000000,  0.0000553400000000 ]  - [   0.0014877200000000,  0.0009404200000000,  0.0005546400000000 ]  - [  -0.0003266200000000,  0.0001341700000000,  0.0001342500000000 ]  - [   0.0000028300000000, -0.0000009100000000,  0.0000505500000000 ]  - [  -0.0000019300000000,  0.0000005400000000,  0.0000397900000000 ]  - [  -0.0000008900000000,  0.0000002900000000,  0.0000167300000000 ]  - [   0.0000003000000000, -0.0000005500000000,  0.0000132500000000 ]  - [  -0.0000017200000000, -0.0000046800000000, -0.0000314800000000 ]  - [  -0.0000015700000000, -0.0000322400000000, -0.0001122900000000 ]  - [   0.0000064300000000, -0.0000108500000000,  0.0000653600000000 ]  - [  -0.0000066700000000, -0.0000035400000000,  0.0000728200000000 ]  - [   0.0010208500000000, -0.0000491400000000, -0.0007496000000000 ]  - [  -0.0006456100000000,  0.0001433000000000,  0.0000590700000000 ]  - [   0.0029225000000000, -0.0014637100000000, -0.0002488800000000 ]  - [   0.0011421200000000,  0.0009512700000000, -0.0001562800000000 ]  - [   0.0000382400000000, -0.0000555300000000,  0.0000423900000000 ]  - [   0.0001060400000000, -0.0000476300000000,  0.0000438400000000 ]  - [   0.0606723300000000,  0.0428822300000000, -0.0421427400000000 ]  - [  -0.0015094200000000, -0.0008519700000000,  0.0014175900000000 ]  - [   0.0001665800000000,  0.0001300500000000, -0.0001479200000000 ]  - [  -0.0006081000000000, -0.0003846600000000,  0.0001185600000000 ]  - [   0.0000311000000000, -0.0000228800000000,  0.0000350300000000 ]  - [  -0.0000017700000000, -0.0000128200000000,  0.0000375400000000 ]  - [   0.0002486800000000,  0.0000718500000000,  0.0000235000000000 ]  - [  -0.0002860200000000, -0.0001890400000000, -0.0000582700000000 ]  - [  -0.0000166900000000,  0.0000212600000000,  0.0000345600000000 ]  - [  -0.0000129500000000,  0.0000137900000000,  0.0000384100000000 ]  - [   0.0000558400000000, -0.0000020500000000, -0.0000113600000000 ]  - [  -0.0002129700000000,  0.0001351400000000,  0.0000570200000000 ]  - [  -0.0003819100000000,  0.0000524700000000, -0.0000427800000000 ]  - [  -0.0002724700000000, -0.0003723600000000, -0.0004372200000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0841279900000000,  0.0358759300000000, -0.0342890500000000 ]  - [  -0.0009840400000000,  0.0001108800000000,  0.0004380900000000 ]  - [   0.0079211600000000, -0.0006806700000000, -0.0003374600000000 ]  - [  -0.0012918600000000,  0.0001244600000000, -0.0007274000000000 ]  - [  -0.0040676800000000,  0.0029406600000000,  0.0041975600000000 ]  - [  -0.0050460900000000,  0.0013128200000000, -0.0031601400000000 ]  - [  -0.0035112500000000, -0.0048257100000000, -0.0021624100000000 ]  - [  -0.0041597900000000,  0.0024108200000000, -0.0005001800000000 ]  - [  -0.0002742300000000,  0.0004484300000000, -0.0001142700000000 ]  - [  -0.0002444500000000,  0.0005173400000000, -0.0001323900000000 ]  - [   0.0002306400000000,  0.0004016400000000,  0.0002370900000000 ]  - [   0.0003621000000000,  0.0003651000000000,  0.0002887500000000 ]  - [  -0.0002414100000000, -0.0004920800000000,  0.0001694200000000 ]  - [  -0.0002533600000000, -0.0004935300000000,  0.0001214700000000 ]  - [   0.0002594300000000, -0.0005028700000000, -0.0001106900000000 ]  - [   0.0002613700000000, -0.0005056800000000, -0.0001162000000000 ]  - [  -0.0002733300000000,  0.0004392800000000,  0.0001927300000000 ]  - [  -0.0002797000000000,  0.0004391900000000,  0.0001938400000000 ]  - [  -0.0002382400000000, -0.0005023400000000, -0.0001022500000000 ]  - [  -0.0002618300000000, -0.0004942900000000, -0.0001135300000000 ]  - [   0.0002713000000000,  0.0004657400000000, -0.0001441900000000 ]  - [   0.0002589800000000,  0.0004696000000000, -0.0001301000000000 ]  - [   0.0002780500000000, -0.0004482600000000,  0.0001887000000000 ]  - [   0.0002696100000000, -0.0004514700000000,  0.0001888700000000 ]  - [  -0.0001548900000000,  0.0004788200000000, -0.0002033100000000 ]  - [  -0.0004927300000000,  0.0002735000000000, -0.0003161200000000 ]  - [   0.0002303600000000,  0.0004906100000000,  0.0001446400000000 ]  - [   0.0003612800000000,  0.0002569300000000,  0.0003334100000000 ]  - [  -0.0001991000000000, -0.0004634000000000,  0.0001292800000000 ]  - [  -0.0004572200000000, -0.0002693400000000,  0.0003314000000000 ]  - [   0.0002554100000000, -0.0003175900000000, -0.0004062800000000 ]  - [  -0.0002437100000000, -0.0010762900000000,  0.0011474100000000 ]  - [  -0.0002769700000000,  0.0004513600000000,  0.0001870900000000 ]  - [  -0.0002733800000000,  0.0004520700000000,  0.0001895400000000 ]  - [  -0.0002682100000000, -0.0004691800000000, -0.0001413300000000 ]  - [  -0.0002650900000000, -0.0004697400000000, -0.0001297000000000 ]  - [   0.0002615300000000,  0.0004983500000000, -0.0001055800000000 ]  - [   0.0002412400000000,  0.0005018000000000, -0.0001049300000000 ]  - [   0.0002801300000000, -0.0004426500000000,  0.0001896400000000 ]  - [   0.0002748700000000, -0.0004393300000000,  0.0001937300000000 ]  - [  -0.0001570600000000,  0.0006296700000000, -0.0000550800000000 ]  - [  -0.0004942900000000,  0.0002606800000000, -0.0004728500000000 ]  - [   0.0003310000000000,  0.0004101200000000,  0.0001523800000000 ]  - [   0.0001907300000000,  0.0005507700000000,  0.0001044100000000 ]  - [  -0.0002422100000000, -0.0004805600000000,  0.0001657800000000 ]  - [  -0.0002546700000000, -0.0005256000000000,  0.0001111900000000 ]  - [   0.0003430300000000, -0.0004410800000000, -0.0002672800000000 ]  - [   0.0001574200000000, -0.0005766700000000, -0.0000533600000000 ]  - [  -0.0003264400000000,  0.0002426700000000,  0.0001995400000000 ]  - [  -0.0003262900000000,  0.0003716100000000,  0.0001943500000000 ]  - [  -0.0003296500000000, -0.0001440900000000, -0.0002603700000000 ]  - [  -0.0003305900000000, -0.0004955300000000, -0.0002346200000000 ]  - [   0.0004143900000000,  0.0001099800000000, -0.0003931400000000 ]  - [   0.0001542800000000,  0.0004837400000000, -0.0001534800000000 ]  - [   0.0001082900000000, -0.0011601100000000, -0.0002277300000000 ]  - [  -0.0001751000000000, -0.0006162900000000,  0.0000488800000000 ]  - [  -0.0002739300000000,  0.0004723700000000, -0.0001389600000000 ]  - [  -0.0002443500000000,  0.0005119800000000, -0.0001074100000000 ]  - [   0.0003301700000000,  0.0004654100000000,  0.0001195900000000 ]  - [   0.0001891700000000,  0.0005259500000000,  0.0000651900000000 ]  - [  -0.0001994300000000, -0.0004581300000000,  0.0000924000000000 ]  - [  -0.0004578800000000, -0.0002973000000000,  0.0003704200000000 ]  - [   0.0003053700000000, -0.0004104700000000, -0.0001483100000000 ]  - [   0.0002134600000000, -0.0005219600000000, -0.0001087000000000 ]  - [   0.0000064400000000,  0.0000158900000000,  0.0000002300000000 ]  - [   0.0000192400000000,  0.0000133500000000, -0.0000203000000000 ]  - [  -0.0003262300000000, -0.0001403600000000,  0.0001812400000000 ]  - [  -0.0062298300000000,  0.0067151900000000, -0.0065144900000000 ]  - [  -0.0000634700000000,  0.0001213100000000, -0.0000535800000000 ]  - [   0.0000058200000000, -0.0000682700000000,  0.0000024600000000 ]  - [   0.0000031500000000,  0.0000047800000000, -0.0000112600000000 ]  - [   0.0000030300000000,  0.0000042700000000, -0.0000117500000000 ]  - [  -0.0000149100000000,  0.0000220300000000,  0.0000254400000000 ]  - [   0.0000071800000000, -0.0000148200000000, -0.0000172700000000 ]  - [  -0.0000040700000000, -0.0000050700000000, -0.0000110800000000 ]  - [  -0.0000018600000000, -0.0000035400000000, -0.0000118400000000 ]  - [  -0.0000171300000000, -0.0000353400000000, -0.0000195100000000 ]  - [  -0.0000083200000000,  0.0000026400000000, -0.0000045100000000 ]  - [  -0.0000453700000000,  0.0000471600000000,  0.0001534000000000 ]  - [   0.0000014900000000,  0.0000197000000000, -0.0000429400000000 ]  - [  -0.0001428300000000,  0.0000817000000000, -0.0005001600000000 ]  - [   0.0000586400000000, -0.0000733200000000,  0.0001433300000000 ]  - [   0.0000078000000000,  0.0000008800000000, -0.0000289200000000 ]  - [  -0.0000088500000000, -0.0000139800000000, -0.0000144800000000 ]  - [   0.0001314600000000,  0.0004455800000000, -0.0003417700000000 ]  - [  -0.0002190200000000,  0.0001367400000000,  0.0002046100000000 ]  - [  -0.0004777700000000,  0.0001128900000000,  0.0002185100000000 ]  - [   0.0005142100000000,  0.0002036000000000,  0.0000239200000000 ]  - [  -0.0000385800000000,  0.0000538900000000, -0.0000565100000000 ]  - [   0.0000394200000000,  0.0000960100000000, -0.0000904600000000 ]  - [   0.0000475600000000,  0.0000458200000000,  0.0001031700000000 ]  - [  -0.0000376600000000,  0.0001421300000000, -0.0000088100000000 ]  - [  -0.0000006600000000,  0.0000002300000000, -0.0000201300000000 ]  - [  -0.0000002000000000, -0.0000020100000000, -0.0000678300000000 ]  - [  -0.0000014900000000, -0.0000008000000000, -0.0000718400000000 ]  - [   0.0000009400000000,  0.0000004300000000, -0.0000783700000000 ]  - [   0.0000261500000000, -0.0000617600000000, -0.0000288700000000 ]  - [  -0.0000276500000000, -0.0000933900000000, -0.0001169500000000 ]  - [  -0.0014897300000000, -0.0009499300000000, -0.0005121800000000 ]  - [   0.0003252500000000, -0.0001322600000000, -0.0000731800000000 ]  - [  -0.0000027200000000,  0.0000004400000000,  0.0000096500000000 ]  - [   0.0000020700000000, -0.0000000500000000,  0.0000212300000000 ]  - [   0.0000003400000000,  0.0000007400000000, -0.0000779300000000 ]  - [  -0.0000000500000000, -0.0000004900000000, -0.0000742500000000 ]  - [   0.0000013700000000,  0.0000046800000000, -0.0000298800000000 ]  - [   0.0000016900000000,  0.0000325900000000,  0.0000509100000000 ]  - [  -0.0000063800000000,  0.0000104700000000, -0.0000043700000000 ]  - [   0.0000068600000000,  0.0000040300000000, -0.0000117700000000 ]  - [  -0.0010155800000000,  0.0000522100000000,  0.0008141500000000 ]  - [   0.0006465600000000, -0.0001431900000000,  0.0000019400000000 ]  - [  -0.0030147900000000,  0.0015457300000000,  0.0001749200000000 ]  - [  -0.0010634500000000, -0.0008797900000000,  0.0000772000000000 ]  - [  -0.0000375300000000,  0.0000559300000000, -0.0000424200000000 ]  - [  -0.0001063400000000,  0.0000472100000000, -0.0000438500000000 ]  - [  -0.0615980700000000, -0.0441243800000000,  0.0433623800000000 ]  - [   0.0015474600000000,  0.0008571600000000, -0.0014209200000000 ]  - [  -0.0001678400000000, -0.0001295500000000,  0.0001468900000000 ]  - [   0.0006057900000000,  0.0003837800000000, -0.0001202600000000 ]  - [  -0.0000242800000000,  0.0000228200000000, -0.0000351300000000 ]  - [  -0.0000048100000000,  0.0000126600000000, -0.0000375500000000 ]  - [  -0.0002507500000000, -0.0000733600000000, -0.0000238500000000 ]  - [   0.0002867800000000,  0.0001884500000000,  0.0000576100000000 ]  - [   0.0000172600000000, -0.0000211100000000, -0.0000345000000000 ]  - [   0.0000116300000000, -0.0000138800000000, -0.0000382300000000 ]  - [  -0.0000539900000000,  0.0000024300000000,  0.0000117900000000 ]  - [   0.0002104500000000, -0.0001354900000000, -0.0000574100000000 ]  - [   0.0003826900000000, -0.0000527600000000,  0.0000405200000000 ]  - [   0.0002712000000000,  0.0003732600000000,  0.0004377800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0344122100000000, -0.0793638700000000,  0.0599463600000000 ]  - [   0.0001026100000000,  0.0002580200000000,  0.0002901000000000 ]  - [  -0.0005079000000000,  0.0066078500000000, -0.0088224000000000 ]  - [   0.0003392800000000, -0.0010645000000000,  0.0000943900000000 ]  - [   0.0027178300000000, -0.0094292700000000, -0.0016965700000000 ]  - [   0.0011124100000000, -0.0019395000000000, -0.0004608400000000 ]  - [   0.0045793500000000,  0.0032997700000000,  0.0021962300000000 ]  - [  -0.0026383100000000,  0.0006970300000000,  0.0005067500000000 ]  - [  -0.0002589200000000,  0.0004551600000000, -0.0002497700000000 ]  - [  -0.0002902900000000,  0.0003958000000000, -0.0002558700000000 ]  - [   0.0002698500000000,  0.0005961200000000, -0.0000404300000000 ]  - [   0.0000416700000000,  0.0006948800000000, -0.0001469400000000 ]  - [  -0.0002669700000000, -0.0003908400000000,  0.0000768000000000 ]  - [  -0.0003032400000000, -0.0003602400000000,  0.0002368200000000 ]  - [   0.0002839400000000, -0.0003584300000000, -0.0002714200000000 ]  - [   0.0002906500000000, -0.0003440200000000, -0.0002706900000000 ]  - [  -0.0002249400000000,  0.0005235900000000,  0.0000705500000000 ]  - [  -0.0002118000000000,  0.0005155700000000,  0.0000773100000000 ]  - [  -0.0002883500000000, -0.0003894500000000, -0.0002631300000000 ]  - [  -0.0002668300000000, -0.0003853500000000, -0.0002640400000000 ]  - [   0.0002379700000000,  0.0004473400000000, -0.0002061700000000 ]  - [   0.0002551100000000,  0.0004545900000000, -0.0002020900000000 ]  - [   0.0002205500000000, -0.0004848800000000,  0.0000958400000000 ]  - [   0.0002370400000000, -0.0004907800000000,  0.0000882400000000 ]  - [  -0.0004164000000000,  0.0004211500000000, -0.0005152000000000 ]  - [  -0.0000423000000000,  0.0006533200000000, -0.0000215700000000 ]  - [   0.0001886600000000,  0.0005991000000000,  0.0000021000000000 ]  - [   0.0001503100000000,  0.0006966200000000, -0.0000740400000000 ]  - [  -0.0002455000000000, -0.0005910800000000,  0.0000343600000000 ]  - [  -0.0000814100000000, -0.0007032800000000, -0.0000802300000000 ]  - [   0.0001024200000000, -0.0005580100000000, -0.0002243300000000 ]  - [   0.0008650200000000, -0.0000407000000000, -0.0011881000000000 ]  - [  -0.0002300400000000,  0.0004864300000000,  0.0000916600000000 ]  - [  -0.0002343400000000,  0.0004919900000000,  0.0000850800000000 ]  - [  -0.0002483700000000, -0.0004497700000000, -0.0002027600000000 ]  - [  -0.0002518600000000, -0.0004550000000000, -0.0002023300000000 ]  - [   0.0002744500000000,  0.0003876200000000, -0.0002634800000000 ]  - [   0.0002865000000000,  0.0003907500000000, -0.0002574200000000 ]  - [   0.0002184100000000, -0.0005177700000000,  0.0000741300000000 ]  - [   0.0002243200000000, -0.0005246900000000,  0.0000652100000000 ]  - [  -0.0002643100000000,  0.0004236700000000, -0.0000919700000000 ]  - [  -0.0000604500000000,  0.0006545000000000,  0.0002080300000000 ]  - [   0.0002525500000000,  0.0004208100000000,  0.0001463500000000 ]  - [   0.0003133300000000,  0.0003821900000000,  0.0002097400000000 ]  - [  -0.0002787500000000, -0.0003911400000000,  0.0001773300000000 ]  - [  -0.0002826800000000, -0.0003638300000000,  0.0002068600000000 ]  - [   0.0002274100000000, -0.0003849700000000, -0.0000704900000000 ]  - [   0.0003642600000000, -0.0003192100000000, -0.0002330400000000 ]  - [  -0.0001592400000000,  0.0008375200000000,  0.0000947400000000 ]  - [  -0.0000174400000000,  0.0008302500000000, -0.0000207500000000 ]  - [  -0.0002856000000000, -0.0006407100000000,  0.0000620500000000 ]  - [   0.0000819800000000, -0.0006361700000000,  0.0000585200000000 ]  - [  -0.0001048600000000,  0.0012085400000000,  0.0003906700000000 ]  - [   0.0002606900000000,  0.0007664700000000,  0.0000780700000000 ]  - [   0.0009474700000000,  0.0017489900000000,  0.0010933600000000 ]  - [   0.0003948800000000,  0.0000736400000000,  0.0005997900000000 ]  - [  -0.0002369100000000,  0.0004603200000000, -0.0001757700000000 ]  - [  -0.0002998800000000,  0.0003942800000000, -0.0002297300000000 ]  - [   0.0001877000000000,  0.0004144300000000,  0.0003843100000000 ]  - [   0.0003412700000000,  0.0003865700000000,  0.0002441800000000 ]  - [  -0.0002502000000000, -0.0005953200000000,  0.0002248200000000 ]  - [  -0.0000497300000000, -0.0006986400000000, -0.0001510100000000 ]  - [   0.0001904700000000, -0.0005630400000000, -0.0001689700000000 ]  - [   0.0003117600000000, -0.0004400100000000, -0.0002169300000000 ]  - [  -0.0000298900000000, -0.0000340000000000,  0.0000428900000000 ]  - [  -0.0000363300000000, -0.0000382900000000,  0.0000347700000000 ]  - [   0.0007699800000000,  0.0001246500000000,  0.0003682500000000 ]  - [  -0.0096626300000000,  0.0153668400000000, -0.0104478400000000 ]  - [   0.0000418900000000, -0.0000707800000000,  0.0001488900000000 ]  - [   0.0000170100000000, -0.0000027400000000,  0.0000311700000000 ]  - [  -0.0000054000000000, -0.0000100200000000,  0.0000253400000000 ]  - [  -0.0000047400000000, -0.0000101500000000,  0.0000257700000000 ]  - [   0.0000248100000000, -0.0000353700000000, -0.0000361900000000 ]  - [   0.0000168800000000, -0.0000169400000000, -0.0000051900000000 ]  - [   0.0000055900000000,  0.0000101600000000,  0.0000255300000000 ]  - [   0.0000043400000000,  0.0000095000000000,  0.0000256500000000 ]  - [   0.0000470500000000,  0.0000708700000000,  0.0000217500000000 ]  - [   0.0000156500000000, -0.0000038300000000,  0.0000118100000000 ]  - [   0.0001272800000000, -0.0001213500000000, -0.0002770700000000 ]  - [   0.0000642300000000, -0.0001196800000000, -0.0000300400000000 ]  - [   0.0000318100000000,  0.0002337400000000,  0.0007091000000000 ]  - [  -0.0000165800000000,  0.0000785300000000,  0.0000422700000000 ]  - [  -0.0000030100000000,  0.0000301200000000,  0.0001518800000000 ]  - [   0.0000036500000000,  0.0000517600000000,  0.0001375900000000 ]  - [  -0.0004224600000000, -0.0008413300000000,  0.0003191600000000 ]  - [   0.0003382500000000, -0.0005353500000000,  0.0000365200000000 ]  - [   0.0004051200000000, -0.0009272900000000, -0.0004045600000000 ]  - [  -0.0004090400000000, -0.0004396600000000, -0.0002382400000000 ]  - [   0.0000197700000000, -0.0001430900000000,  0.0000702000000000 ]  - [  -0.0000210800000000, -0.0001572100000000,  0.0000716700000000 ]  - [   0.0000123900000000, -0.0002173500000000, -0.0000050400000000 ]  - [  -0.0000144000000000, -0.0002455800000000,  0.0001162300000000 ]  - [   0.0000002200000000,  0.0000003200000000,  0.0001737500000000 ]  - [  -0.0000001300000000,  0.0000018500000000,  0.0001972300000000 ]  - [   0.0000021200000000,  0.0000000900000000,  0.0000533300000000 ]  - [  -0.0000000800000000,  0.0000006000000000,  0.0000619700000000 ]  - [  -0.0000090600000000,  0.0001436200000000,  0.0000303300000000 ]  - [   0.0000083900000000,  0.0001606200000000,  0.0000879700000000 ]  - [   0.0011990300000000,  0.0016900100000000,  0.0007978900000000 ]  - [  -0.0001943500000000,  0.0002573800000000, -0.0001457300000000 ]  - [   0.0000008500000000,  0.0000009600000000,  0.0000743800000000 ]  - [  -0.0000000800000000, -0.0000010000000000,  0.0000629800000000 ]  - [  -0.0000005800000000, -0.0000016200000000,  0.0000838300000000 ]  - [  -0.0000012700000000,  0.0000004100000000,  0.0000825100000000 ]  - [   0.0000058700000000, -0.0000529500000000, -0.0001065400000000 ]  - [  -0.0000121700000000, -0.0001125800000000, -0.0002084200000000 ]  - [   0.0000068000000000, -0.0000492200000000,  0.0001039000000000 ]  - [  -0.0000077500000000, -0.0000359700000000,  0.0001151600000000 ]  - [   0.0004338300000000,  0.0004877800000000, -0.0008349300000000 ]  - [  -0.0004967200000000,  0.0004111700000000, -0.0000312000000000 ]  - [  -0.0005378900000000,  0.0011655300000000, -0.0006705700000000 ]  - [   0.0003611000000000,  0.0007322100000000, -0.0002083300000000 ]  - [   0.0000404000000000, -0.0000907900000000,  0.0001465700000000 ]  - [   0.0002326300000000, -0.0002096400000000,  0.0001192300000000 ]  - [   0.0373875900000000,  0.0591663500000000, -0.0415079800000000 ]  - [  -0.0007872900000000,  0.0015899000000000,  0.0005077700000000 ]  - [   0.0002712000000000,  0.0001515200000000,  0.0002555800000000 ]  - [  -0.0005792500000000, -0.0004550400000000,  0.0002384800000000 ]  - [   0.0000211500000000, -0.0000429700000000,  0.0000795800000000 ]  - [   0.0000242000000000, -0.0000395300000000,  0.0000798200000000 ]  - [   0.0000392900000000, -0.0000256700000000, -0.0000525300000000 ]  - [  -0.0002693100000000, -0.0002177900000000, -0.0000739300000000 ]  - [  -0.0000206300000000,  0.0000420200000000,  0.0000794800000000 ]  - [  -0.0000242800000000,  0.0000387700000000,  0.0000806400000000 ]  - [  -0.0000466700000000,  0.0000906500000000, -0.0000630600000000 ]  - [  -0.0002238300000000,  0.0002049300000000,  0.0001123600000000 ]  - [  -0.0003934800000000, -0.0003798900000000, -0.0002392700000000 ]  - [  -0.0009121100000000, -0.0008286300000000, -0.0011268400000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0347274400000000,  0.0811414300000000, -0.0612806100000000 ]  - [  -0.0005907800000000,  0.0006403200000000,  0.0000540100000000 ]  - [  -0.0000293200000000, -0.0075926100000000,  0.0086127000000000 ]  - [  -0.0008249500000000,  0.0001621500000000, -0.0004346300000000 ]  - [  -0.0022566900000000,  0.0104261400000000,  0.0013602800000000 ]  - [  -0.0006145200000000,  0.0028652700000000,  0.0001344300000000 ]  - [  -0.0041237800000000, -0.0042219200000000, -0.0018471500000000 ]  - [   0.0031256400000000, -0.0016289300000000, -0.0001900100000000 ]  - [  -0.0002369400000000,  0.0004738400000000, -0.0000653500000000 ]  - [  -0.0002155000000000,  0.0005367500000000, -0.0000567300000000 ]  - [   0.0002357000000000,  0.0003371900000000,  0.0003522000000000 ]  - [   0.0004545400000000,  0.0002346500000000,  0.0004618600000000 ]  - [  -0.0002299300000000, -0.0005373100000000,  0.0002394600000000 ]  - [  -0.0002038600000000, -0.0005713500000000,  0.0000758100000000 ]  - [   0.0002237800000000, -0.0005731100000000, -0.0000429400000000 ]  - [   0.0002057600000000, -0.0005839300000000, -0.0000466500000000 ]  - [  -0.0002816000000000,  0.0004190500000000,  0.0002317700000000 ]  - [  -0.0002503900000000,  0.0003938600000000,  0.0002587600000000 ]  - [  -0.0002178500000000, -0.0005536400000000, -0.0000407400000000 ]  - [  -0.0001950700000000, -0.0005240000000000, -0.0000716600000000 ]  - [   0.0002245200000000,  0.0004593900000000, -0.0001303300000000 ]  - [   0.0002499500000000,  0.0004905100000000, -0.0000974600000000 ]  - [   0.0002422100000000, -0.0004231800000000,  0.0002410400000000 ]  - [   0.0002667400000000, -0.0004558100000000,  0.0002110400000000 ]  - [  -0.0000910900000000,  0.0005029900000000,  0.0001937100000000 ]  - [  -0.0004467500000000,  0.0002751000000000, -0.0002952100000000 ]  - [   0.0003086500000000,  0.0003213900000000,  0.0003219100000000 ]  - [   0.0003477900000000,  0.0002380200000000,  0.0003838800000000 ]  - [  -0.0002598600000000, -0.0003371400000000,  0.0002820800000000 ]  - [  -0.0004092400000000, -0.0002244300000000,  0.0003967800000000 ]  - [   0.0003951100000000, -0.0003640100000000, -0.0001005700000000 ]  - [  -0.0003627500000000, -0.0008914000000000,  0.0008724800000000 ]  - [  -0.0002933300000000,  0.0004778400000000,  0.0001901900000000 ]  - [  -0.0002566700000000,  0.0004396900000000,  0.0002289500000000 ]  - [  -0.0002758100000000, -0.0005140900000000, -0.0000804500000000 ]  - [  -0.0002379000000000, -0.0004773300000000, -0.0001102600000000 ]  - [   0.0002545100000000,  0.0005723100000000, -0.0000223400000000 ]  - [   0.0001986000000000,  0.0005461100000000, -0.0000503400000000 ]  - [   0.0003106500000000, -0.0004414800000000,  0.0002117100000000 ]  - [   0.0002612000000000, -0.0004118800000000,  0.0002439000000000 ]  - [  -0.0002579600000000,  0.0005318300000000, -0.0001970200000000 ]  - [  -0.0004727600000000,  0.0003100300000000, -0.0004876900000000 ]  - [   0.0002797000000000,  0.0005427200000000,  0.0001385100000000 ]  - [   0.0002107900000000,  0.0005682800000000,  0.0000846200000000 ]  - [  -0.0002445600000000, -0.0005589700000000,  0.0001171300000000 ]  - [  -0.0002524900000000, -0.0005980600000000,  0.0000761700000000 ]  - [   0.0003078700000000, -0.0005754200000000, -0.0002152700000000 ]  - [   0.0001597800000000, -0.0006310000000000, -0.0000614000000000 ]  - [  -0.0003764500000000,  0.0001247200000000,  0.0001906000000000 ]  - [  -0.0004779700000000,  0.0001127500000000,  0.0003252900000000 ]  - [  -0.0002541100000000, -0.0003136500000000, -0.0003507100000000 ]  - [  -0.0005785100000000, -0.0003047400000000, -0.0003646700000000 ]  - [   0.0006386200000000, -0.0002442300000000, -0.0006728000000000 ]  - [   0.0002379800000000,  0.0001740100000000, -0.0003825900000000 ]  - [  -0.0004067400000000, -0.0026847000000000, -0.0008024800000000 ]  - [   0.0001052200000000, -0.0010081400000000, -0.0002897200000000 ]  - [  -0.0002957000000000,  0.0004991800000000, -0.0001101600000000 ]  - [  -0.0002281500000000,  0.0005517900000000, -0.0000683700000000 ]  - [   0.0003341200000000,  0.0005344400000000, -0.0000846500000000 ]  - [   0.0001971400000000,  0.0005677900000000,  0.0000466000000000 ]  - [  -0.0002809100000000, -0.0003658900000000,  0.0000601800000000 ]  - [  -0.0004769100000000, -0.0002499400000000,  0.0004471600000000 ]  - [   0.0003309300000000, -0.0003888600000000, -0.0001264800000000 ]  - [   0.0002249300000000, -0.0005159800000000, -0.0000716900000000 ]  - [   0.0000297500000000,  0.0000332500000000, -0.0000426900000000 ]  - [   0.0000364600000000,  0.0000380800000000, -0.0000347500000000 ]  - [  -0.0007725000000000, -0.0001252400000000, -0.0003684400000000 ]  - [   0.0100675800000000, -0.0156219600000000,  0.0108400200000000 ]  - [  -0.0000446900000000,  0.0000707700000000, -0.0001486400000000 ]  - [  -0.0000144400000000,  0.0000032600000000, -0.0000310600000000 ]  - [   0.0000063600000000,  0.0000098900000000, -0.0000253300000000 ]  - [   0.0000046200000000,  0.0000103300000000, -0.0000252400000000 ]  - [  -0.0000242100000000,  0.0000347900000000,  0.0000360200000000 ]  - [  -0.0000158600000000,  0.0000158000000000,  0.0000042300000000 ]  - [  -0.0000030000000000, -0.0000103800000000, -0.0000253700000000 ]  - [  -0.0000065800000000, -0.0000096000000000, -0.0000256700000000 ]  - [  -0.0000479500000000, -0.0000701800000000, -0.0000220200000000 ]  - [  -0.0000136400000000,  0.0000036300000000, -0.0000108200000000 ]  - [  -0.0001257100000000,  0.0001194000000000,  0.0002756100000000 ]  - [  -0.0000634300000000,  0.0001183100000000,  0.0000302600000000 ]  - [  -0.0000305500000000, -0.0002340400000000, -0.0007611500000000 ]  - [   0.0000177400000000, -0.0000795500000000, -0.0000900600000000 ]  - [   0.0000020500000000, -0.0000290600000000, -0.0000983600000000 ]  - [  -0.0000048700000000, -0.0000532600000000, -0.0000837000000000 ]  - [   0.0004233300000000,  0.0008411700000000, -0.0002625500000000 ]  - [  -0.0003409700000000,  0.0005267500000000,  0.0000210200000000 ]  - [  -0.0004067800000000,  0.0009232400000000,  0.0003484100000000 ]  - [   0.0004135300000000,  0.0004329800000000,  0.0001826400000000 ]  - [  -0.0000187200000000,  0.0001398400000000, -0.0001226600000000 ]  - [   0.0000218800000000,  0.0001556400000000, -0.0001237700000000 ]  - [  -0.0000132500000000,  0.0002144000000000,  0.0000596100000000 ]  - [   0.0000135600000000,  0.0002422300000000, -0.0000609800000000 ]  - [  -0.0000005600000000,  0.0000029100000000, -0.0001189600000000 ]  - [  -0.0000012100000000, -0.0000046600000000, -0.0001422200000000 ]  - [  -0.0000010400000000,  0.0000001800000000, -0.0001094400000000 ]  - [   0.0000009000000000, -0.0000003500000000, -0.0001165300000000 ]  - [   0.0000079500000000, -0.0001416700000000, -0.0000842200000000 ]  - [  -0.0000088900000000, -0.0001582200000000, -0.0001419400000000 ]  - [  -0.0012043300000000, -0.0016800800000000, -0.0007606400000000 ]  - [   0.0001957000000000, -0.0002536700000000,  0.0001921100000000 ]  - [   0.0000001300000000, -0.0000009600000000, -0.0000192700000000 ]  - [   0.0000009000000000,  0.0000000000000000, -0.0000093400000000 ]  - [   0.0000003700000000, -0.0000021600000000, -0.0001379400000000 ]  - [  -0.0000001800000000,  0.0000020900000000, -0.0001366300000000 ]  - [  -0.0000065900000000,  0.0000514500000000,  0.0000520900000000 ]  - [   0.0000107900000000,  0.0001136000000000,  0.0001533500000000 ]  - [  -0.0000052200000000,  0.0000495000000000, -0.0000516600000000 ]  - [   0.0000084700000000,  0.0000357900000000, -0.0000621700000000 ]  - [  -0.0004344700000000, -0.0004659800000000,  0.0009170700000000 ]  - [   0.0005021300000000, -0.0004057500000000,  0.0000863100000000 ]  - [   0.0004865100000000, -0.0011334400000000,  0.0006062400000000 ]  - [  -0.0003223000000000, -0.0007067400000000,  0.0001445600000000 ]  - [  -0.0000406800000000,  0.0000889600000000, -0.0001462200000000 ]  - [  -0.0002304900000000,  0.0002085800000000, -0.0001190200000000 ]  - [  -0.0385393400000000, -0.0598816200000000,  0.0426533700000000 ]  - [   0.0008414500000000, -0.0015693600000000, -0.0005011500000000 ]  - [  -0.0002694200000000, -0.0001488200000000, -0.0002529700000000 ]  - [   0.0005772800000000,  0.0004506400000000, -0.0002379200000000 ]  - [  -0.0000463800000000,  0.0000424000000000, -0.0000794800000000 ]  - [   0.0000017900000000,  0.0000395100000000, -0.0000796100000000 ]  - [  -0.0000357800000000,  0.0000215500000000,  0.0000521900000000 ]  - [   0.0002607700000000,  0.0002160000000000,  0.0000722100000000 ]  - [   0.0000073600000000, -0.0000432100000000, -0.0000796800000000 ]  - [   0.0000381200000000, -0.0000380200000000, -0.0000816100000000 ]  - [   0.0000392500000000, -0.0000890100000000,  0.0000623300000000 ]  - [   0.0002284000000000, -0.0002038300000000, -0.0001120900000000 ]  - [   0.0003896400000000,  0.0003751600000000,  0.0002401800000000 ]  - [   0.0009071600000000,  0.0008243200000000,  0.0011180300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0336971700000000,  0.0619276500000000, -0.0809244500000000 ]  - [  -0.0005655000000000,  0.0006213100000000, -0.0001400300000000 ]  - [  -0.0004615100000000, -0.0092686600000000,  0.0062840900000000 ]  - [  -0.0008558800000000, -0.0002404600000000, -0.0006908200000000 ]  - [  -0.0040646500000000,  0.0020308100000000,  0.0033458300000000 ]  - [   0.0032925800000000,  0.0008010900000000,  0.0010952700000000 ]  - [  -0.0020499000000000, -0.0025285800000000, -0.0093793400000000 ]  - [  -0.0003840800000000, -0.0008474700000000, -0.0020980800000000 ]  - [  -0.0002454900000000,  0.0004986600000000, -0.0000171000000000 ]  - [  -0.0002149300000000,  0.0005448600000000, -0.0000094200000000 ]  - [   0.0002476300000000,  0.0003241200000000,  0.0003512800000000 ]  - [   0.0004387500000000,  0.0002476200000000,  0.0004295000000000 ]  - [  -0.0002729700000000, -0.0004954900000000,  0.0002581600000000 ]  - [  -0.0002193500000000, -0.0005257300000000,  0.0001177600000000 ]  - [   0.0002111100000000, -0.0005898100000000,  0.0000049400000000 ]  - [   0.0002228900000000, -0.0005877200000000, -0.0000018200000000 ]  - [  -0.0003011600000000,  0.0003948000000000,  0.0002814200000000 ]  - [  -0.0003199200000000,  0.0004129200000000,  0.0002608300000000 ]  - [  -0.0002111600000000, -0.0005846200000000,  0.0000260200000000 ]  - [  -0.0002408100000000, -0.0005983900000000,  0.0000292500000000 ]  - [   0.0002728600000000,  0.0005405300000000, -0.0000258200000000 ]  - [   0.0002401500000000,  0.0005255400000000, -0.0000339100000000 ]  - [   0.0003166300000000, -0.0004300700000000,  0.0002564700000000 ]  - [   0.0002985500000000, -0.0004126100000000,  0.0002736900000000 ]  - [  -0.0001595600000000,  0.0004222900000000,  0.0000425300000000 ]  - [  -0.0005921900000000,  0.0001220900000000, -0.0006070000000000 ]  - [   0.0003433800000000,  0.0002907300000000,  0.0003398400000000 ]  - [   0.0003996200000000,  0.0001748500000000,  0.0004278100000000 ]  - [  -0.0001970200000000, -0.0005566500000000,  0.0002957800000000 ]  - [  -0.0004885600000000, -0.0001740700000000,  0.0004147300000000 ]  - [   0.0005126200000000, -0.0005585700000000, -0.0000060100000000 ]  - [  -0.0010311000000000, -0.0015022000000000,  0.0020316500000000 ]  - [  -0.0002869700000000,  0.0003907100000000,  0.0002972600000000 ]  - [  -0.0002850100000000,  0.0004105000000000,  0.0002813800000000 ]  - [  -0.0002278800000000, -0.0005077000000000, -0.0000550600000000 ]  - [  -0.0002416400000000, -0.0005195500000000, -0.0000393300000000 ]  - [   0.0002019800000000,  0.0005653700000000,  0.0000096900000000 ]  - [   0.0002064900000000,  0.0005770300000000,  0.0000126800000000 ]  - [   0.0002834600000000, -0.0003789900000000,  0.0003000000000000 ]  - [   0.0002948100000000, -0.0003864000000000,  0.0002888200000000 ]  - [  -0.0003006900000000,  0.0008313900000000,  0.0000343600000000 ]  - [  -0.0004094100000000,  0.0003280300000000, -0.0006299600000000 ]  - [   0.0002158500000000,  0.0006806500000000,  0.0002708100000000 ]  - [   0.0001623900000000,  0.0005656800000000,  0.0001060800000000 ]  - [  -0.0002687900000000, -0.0003933700000000,  0.0002598600000000 ]  - [  -0.0002116700000000, -0.0005404300000000,  0.0001297100000000 ]  - [   0.0003613200000000, -0.0003773000000000, -0.0003765000000000 ]  - [   0.0001504900000000, -0.0005497400000000, -0.0001370300000000 ]  - [  -0.0002891600000000,  0.0002821500000000,  0.0000779300000000 ]  - [  -0.0003063800000000,  0.0004254200000000,  0.0000591400000000 ]  - [  -0.0003285100000000, -0.0002451300000000, -0.0004465300000000 ]  - [  -0.0003659100000000, -0.0002691500000000, -0.0004268900000000 ]  - [   0.0004903100000000, -0.0000812400000000, -0.0005827900000000 ]  - [   0.0002589900000000,  0.0002468600000000, -0.0003455500000000 ]  - [  -0.0001319700000000, -0.0013977800000000, -0.0004941200000000 ]  - [   0.0001534600000000, -0.0009204700000000, -0.0003110200000000 ]  - [  -0.0002152300000000,  0.0005636600000000, -0.0000198600000000 ]  - [  -0.0002217100000000,  0.0005661300000000, -0.0000162000000000 ]  - [   0.0002530200000000,  0.0004525900000000,  0.0002686200000000 ]  - [   0.0002000800000000,  0.0005269200000000,  0.0001049200000000 ]  - [  -0.0002301400000000, -0.0003500400000000,  0.0003068400000000 ]  - [  -0.0004231100000000, -0.0002343400000000,  0.0004296000000000 ]  - [   0.0002478000000000, -0.0004710700000000, -0.0000372700000000 ]  - [   0.0002047700000000, -0.0005379700000000, -0.0000253100000000 ]  - [   0.0000238300000000,  0.0000270700000000, -0.0000519300000000 ]  - [   0.0000310900000000,  0.0000335900000000, -0.0000455900000000 ]  - [  -0.0006578700000000,  0.0003740000000000,  0.0001895400000000 ]  - [   0.0098430800000000, -0.0106623100000000,  0.0154358100000000 ]  - [  -0.0000759500000000,  0.0001346300000000, -0.0001596800000000 ]  - [  -0.0000796300000000,  0.0000479000000000, -0.0000660600000000 ]  - [   0.0000062700000000,  0.0000074800000000, -0.0000452500000000 ]  - [   0.0000070900000000,  0.0000085400000000, -0.0000457400000000 ]  - [  -0.0000065900000000,  0.0000088400000000,  0.0000657000000000 ]  - [   0.0000455800000000, -0.0000602100000000, -0.0000551100000000 ]  - [  -0.0000083900000000, -0.0000085900000000, -0.0000462600000000 ]  - [  -0.0000041700000000, -0.0000071400000000, -0.0000458300000000 ]  - [  -0.0000154000000000, -0.0000259900000000, -0.0000457000000000 ]  - [  -0.0000279500000000, -0.0000275100000000, -0.0000384300000000 ]  - [  -0.0000752500000000,  0.0000858900000000,  0.0001575600000000 ]  - [  -0.0000589400000000,  0.0000568800000000,  0.0001051700000000 ]  - [  -0.0000421000000000, -0.0001090600000000, -0.0007534300000000 ]  - [   0.0000109600000000, -0.0000279500000000, -0.0001596100000000 ]  - [   0.0000077900000000, -0.0000042800000000, -0.0001620400000000 ]  - [  -0.0000075600000000, -0.0000113600000000, -0.0001613500000000 ]  - [   0.0004506100000000,  0.0007538500000000, -0.0001991400000000 ]  - [  -0.0003447900000000,  0.0003853900000000,  0.0000809000000000 ]  - [  -0.0003211500000000, -0.0001070900000000,  0.0006338200000000 ]  - [   0.0003492000000000,  0.0003368800000000,  0.0002136000000000 ]  - [  -0.0000368900000000,  0.0001279600000000, -0.0001768500000000 ]  - [   0.0000375900000000,  0.0001646600000000, -0.0001798200000000 ]  - [  -0.0000115100000000,  0.0001985300000000,  0.0002242300000000 ]  - [   0.0000123000000000,  0.0002053500000000,  0.0001883000000000 ]  - [  -0.0000045400000000,  0.0000019300000000, -0.0001943100000000 ]  - [   0.0000013200000000, -0.0000005900000000, -0.0002154500000000 ]  - [  -0.0000022800000000, -0.0000000800000000, -0.0002081800000000 ]  - [  -0.0000009800000000,  0.0000010500000000, -0.0002077000000000 ]  - [  -0.0000591000000000, -0.0001411300000000, -0.0002135600000000 ]  - [   0.0000435000000000, -0.0001533200000000, -0.0002866600000000 ]  - [   0.0003365800000000,  0.0002603000000000,  0.0016322400000000 ]  - [   0.0003138900000000, -0.0002528100000000,  0.0002589500000000 ]  - [   0.0000028000000000, -0.0000017300000000, -0.0001114900000000 ]  - [  -0.0000009500000000, -0.0000021500000000, -0.0000693200000000 ]  - [   0.0000005200000000,  0.0000004200000000, -0.0002068700000000 ]  - [   0.0000025000000000, -0.0000016400000000, -0.0002060700000000 ]  - [   0.0000111200000000,  0.0000132200000000,  0.0000111200000000 ]  - [  -0.0000217300000000,  0.0000007100000000,  0.0000267400000000 ]  - [  -0.0000018000000000,  0.0000074100000000, -0.0001340700000000 ]  - [   0.0000012200000000,  0.0000077400000000, -0.0001281700000000 ]  - [  -0.0006177700000000,  0.0002637900000000,  0.0017897200000000 ]  - [   0.0003327500000000, -0.0003675700000000,  0.0001010300000000 ]  - [  -0.0005842300000000, -0.0001031500000000,  0.0008995600000000 ]  - [   0.0006208500000000,  0.0001756500000000,  0.0003309700000000 ]  - [  -0.0000307100000000,  0.0000762300000000, -0.0001789600000000 ]  - [  -0.0001995300000000,  0.0001765700000000, -0.0001496200000000 ]  - [  -0.0378607100000000, -0.0424079100000000,  0.0592926600000000 ]  - [   0.0006044600000000,  0.0004700500000000,  0.0015428300000000 ]  - [  -0.0002247400000000,  0.0000790100000000, -0.0002444700000000 ]  - [   0.0008508800000000,  0.0005671200000000, -0.0001027700000000 ]  - [  -0.0000262700000000,  0.0000383500000000, -0.0001423100000000 ]  - [  -0.0000319700000000,  0.0000276600000000, -0.0001404100000000 ]  - [  -0.0002683700000000, -0.0003266000000000, -0.0000215700000000 ]  - [   0.0002426300000000,  0.0001683400000000,  0.0000137100000000 ]  - [   0.0000356200000000, -0.0000316100000000, -0.0001421900000000 ]  - [   0.0000221600000000, -0.0000342800000000, -0.0001450700000000 ]  - [  -0.0000057700000000, -0.0000529500000000, -0.0001534900000000 ]  - [   0.0002150700000000, -0.0001588700000000, -0.0001281800000000 ]  - [   0.0003396100000000,  0.0002330000000000,  0.0003076200000000 ]  - [   0.0003534400000000,  0.0003307000000000,  0.0007396000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0334145500000000, -0.0593133300000000,  0.0804232400000000 ]  - [   0.0000266800000000,  0.0003425300000000,  0.0004153200000000 ]  - [  -0.0001149800000000,  0.0081806600000000, -0.0064906900000000 ]  - [   0.0003171700000000, -0.0007266300000000,  0.0004174900000000 ]  - [   0.0045792700000000, -0.0010677800000000, -0.0035976500000000 ]  - [  -0.0027620500000000,  0.0001867800000000, -0.0013419200000000 ]  - [   0.0025675300000000,  0.0015577100000000,  0.0095626200000000 ]  - [   0.0009239500000000, -0.0001308900000000,  0.0023503300000000 ]  - [  -0.0002705800000000,  0.0004472100000000, -0.0002770300000000 ]  - [  -0.0002987500000000,  0.0004019900000000, -0.0002827800000000 ]  - [   0.0002628100000000,  0.0006257700000000, -0.0000619300000000 ]  - [   0.0000734400000000,  0.0007027100000000, -0.0001412900000000 ]  - [  -0.0002429600000000, -0.0004502500000000,  0.0000344200000000 ]  - [  -0.0002933400000000, -0.0004205100000000,  0.0001746700000000 ]  - [   0.0002993700000000, -0.0003596800000000, -0.0002961000000000 ]  - [   0.0002920000000000, -0.0003600800000000, -0.0002910600000000 ]  - [  -0.0002133200000000,  0.0005480100000000,  0.0000136400000000 ]  - [  -0.0002081600000000,  0.0005560100000000,  0.0000100200000000 ]  - [  -0.0003037100000000, -0.0003560600000000, -0.0003229300000000 ]  - [  -0.0002890000000000, -0.0003676500000000, -0.0003036100000000 ]  - [   0.0002564900000000,  0.0004264100000000, -0.0002474700000000 ]  - [   0.0002762800000000,  0.0004148700000000, -0.0002640300000000 ]  - [   0.0002120500000000, -0.0005372400000000,  0.0000130400000000 ]  - [   0.0002177900000000, -0.0005287300000000,  0.0000208200000000 ]  - [  -0.0003513600000000,  0.0005369900000000, -0.0003237400000000 ]  - [   0.0000661600000000,  0.0008350100000000,  0.0003295600000000 ]  - [   0.0001715300000000,  0.0006746700000000, -0.0000656400000000 ]  - [   0.0001218900000000,  0.0007771700000000, -0.0001408400000000 ]  - [  -0.0003153200000000, -0.0004006600000000, -0.0000164600000000 ]  - [  -0.0000377600000000, -0.0007841800000000, -0.0001343200000000 ]  - [  -0.0000017400000000, -0.0004063500000000, -0.0002678000000000 ]  - [   0.0015691700000000,  0.0005626900000000, -0.0023514200000000 ]  - [  -0.0002171400000000,  0.0005392300000000,  0.0000104200000000 ]  - [  -0.0002276100000000,  0.0005541800000000, -0.0000057300000000 ]  - [  -0.0002771500000000, -0.0004214700000000, -0.0002562400000000 ]  - [  -0.0002740000000000, -0.0004428100000000, -0.0002408700000000 ]  - [   0.0002965900000000,  0.0003666800000000, -0.0003158800000000 ]  - [   0.0003146200000000,  0.0003805700000000, -0.0002954800000000 ]  - [   0.0002125100000000, -0.0005570700000000,  0.0000029400000000 ]  - [   0.0002253300000000, -0.0005737700000000, -0.0000096500000000 ]  - [  -0.0002110900000000,  0.0001278200000000, -0.0003126100000000 ]  - [  -0.0000980800000000,  0.0006098700000000,  0.0003312700000000 ]  - [   0.0002942200000000,  0.0002536700000000,  0.0000295400000000 ]  - [   0.0003519400000000,  0.0003945500000000,  0.0001757000000000 ]  - [  -0.0002474000000000, -0.0005669600000000,  0.0000194200000000 ]  - [  -0.0002932700000000, -0.0003996300000000,  0.0001688100000000 ]  - [   0.0001437700000000, -0.0005631700000000,  0.0000776100000000 ]  - [   0.0003640600000000, -0.0004102300000000, -0.0001418700000000 ]  - [  -0.0002158200000000,  0.0006551200000000,  0.0002271200000000 ]  - [  -0.0002093300000000,  0.0005370400000000,  0.0002226400000000 ]  - [  -0.0001741700000000, -0.0006953300000000,  0.0001454800000000 ]  - [  -0.0001476500000000, -0.0006970500000000,  0.0001493700000000 ]  - [   0.0000145900000000,  0.0010180200000000,  0.0002799200000000 ]  - [   0.0002564600000000,  0.0007164000000000,  0.0000661800000000 ]  - [   0.0006369100000000,  0.0004630300000000,  0.0008020500000000 ]  - [   0.0003626700000000, -0.0000397400000000,  0.0005931800000000 ]  - [  -0.0003101200000000,  0.0003976200000000, -0.0002579300000000 ]  - [  -0.0002816400000000,  0.0003858200000000, -0.0002717700000000 ]  - [   0.0002608000000000,  0.0004896500000000,  0.0000264800000000 ]  - [   0.0003177300000000,  0.0004399900000000,  0.0001684800000000 ]  - [  -0.0002931100000000, -0.0006132000000000, -0.0000332900000000 ]  - [  -0.0000804500000000, -0.0007184700000000, -0.0001444600000000 ]  - [   0.0002668900000000, -0.0004708900000000, -0.0002594400000000 ]  - [   0.0003140900000000, -0.0004281400000000, -0.0002507800000000 ]  - [  -0.0000250200000000, -0.0000273000000000,  0.0000520000000000 ]  - [  -0.0000311600000000, -0.0000339000000000,  0.0000456200000000 ]  - [   0.0006552800000000, -0.0003739400000000, -0.0001891800000000 ]  - [  -0.0094515900000000,  0.0102782500000000, -0.0151937500000000 ]  - [   0.0000801800000000, -0.0001351600000000,  0.0001599500000000 ]  - [   0.0000769000000000, -0.0000481600000000,  0.0000669100000000 ]  - [  -0.0000065800000000, -0.0000076400000000,  0.0000456400000000 ]  - [  -0.0000062400000000, -0.0000083600000000,  0.0000461500000000 ]  - [   0.0000067300000000, -0.0000082400000000, -0.0000659600000000 ]  - [  -0.0000459500000000,  0.0000606800000000,  0.0000553100000000 ]  - [   0.0000061900000000,  0.0000085300000000,  0.0000469400000000 ]  - [   0.0000064100000000,  0.0000073200000000,  0.0000463200000000 ]  - [   0.0000189800000000,  0.0000261200000000,  0.0000461800000000 ]  - [   0.0000260400000000,  0.0000273900000000,  0.0000388900000000 ]  - [   0.0000763600000000, -0.0000862900000000, -0.0001581700000000 ]  - [   0.0000592600000000, -0.0000566200000000, -0.0001062900000000 ]  - [   0.0000420300000000,  0.0001081500000000,  0.0006937700000000 ]  - [  -0.0000107100000000,  0.0000265700000000,  0.0001028300000000 ]  - [  -0.0000076500000000,  0.0000036200000000,  0.0002246500000000 ]  - [   0.0000075100000000,  0.0000115000000000,  0.0002234000000000 ]  - [  -0.0004474800000000, -0.0007543100000000,  0.0002587600000000 ]  - [   0.0003446700000000, -0.0003893600000000, -0.0000183800000000 ]  - [   0.0003176100000000,  0.0001064200000000, -0.0006996700000000 ]  - [  -0.0003475400000000, -0.0003387500000000, -0.0002790700000000 ]  - [   0.0000371400000000, -0.0001276400000000,  0.0001168800000000 ]  - [  -0.0000383400000000, -0.0001660800000000,  0.0001198400000000 ]  - [   0.0000115900000000, -0.0001987700000000, -0.0001657800000000 ]  - [  -0.0000118400000000, -0.0002065100000000, -0.0001299800000000 ]  - [   0.0000044900000000, -0.0000031200000000,  0.0002562600000000 ]  - [  -0.0000003400000000,  0.0000016300000000,  0.0002783600000000 ]  - [   0.0000016900000000,  0.0000001500000000,  0.0001491900000000 ]  - [   0.0000005700000000, -0.0000011900000000,  0.0001491100000000 ]  - [   0.0000600000000000,  0.0001412500000000,  0.0001549900000000 ]  - [  -0.0000436900000000,  0.0001540500000000,  0.0002285800000000 ]  - [  -0.0003913600000000, -0.0003106500000000, -0.0016745300000000 ]  - [  -0.0003157300000000,  0.0002542700000000, -0.0002023100000000 ]  - [  -0.0000034200000000,  0.0000015500000000,  0.0001730900000000 ]  - [   0.0000005800000000,  0.0000023600000000,  0.0001306800000000 ]  - [  -0.0000006100000000,  0.0000007600000000,  0.0001482000000000 ]  - [  -0.0000014400000000,  0.0000004000000000,  0.0001472200000000 ]  - [  -0.0000109500000000, -0.0000124400000000, -0.0000718400000000 ]  - [   0.0000217100000000, -0.0000009000000000, -0.0000874400000000 ]  - [   0.0000018100000000, -0.0000077900000000,  0.0001967600000000 ]  - [  -0.0000013200000000, -0.0000069000000000,  0.0001910000000000 ]  - [   0.0006122600000000, -0.0002144400000000, -0.0016677300000000 ]  - [  -0.0003315200000000,  0.0003714700000000, -0.0000401300000000 ]  - [   0.0005915500000000,  0.0001024000000000, -0.0009719100000000 ]  - [  -0.0006317600000000, -0.0001783900000000, -0.0003981700000000 ]  - [   0.0000346700000000, -0.0000764300000000,  0.0001792200000000 ]  - [   0.0002008800000000, -0.0001775000000000,  0.0001503800000000 ]  - [   0.0367478800000000,  0.0412735900000000, -0.0586483400000000 ]  - [  -0.0005670400000000, -0.0004773700000000, -0.0015620500000000 ]  - [   0.0002314500000000, -0.0000801300000000,  0.0002459400000000 ]  - [  -0.0008579200000000, -0.0005665900000000,  0.0000994400000000 ]  - [   0.0000414000000000, -0.0000383400000000,  0.0001436000000000 ]  - [   0.0000160300000000, -0.0000281500000000,  0.0001421300000000 ]  - [   0.0002568300000000,  0.0003298400000000,  0.0000200600000000 ]  - [  -0.0002298400000000, -0.0001668500000000, -0.0000133200000000 ]  - [  -0.0000182800000000,  0.0000315600000000,  0.0001438700000000 ]  - [  -0.0000390600000000,  0.0000341700000000,  0.0001475600000000 ]  - [  -0.0000044200000000,  0.0000541900000000,  0.0001541700000000 ]  - [  -0.0002098600000000,  0.0001594800000000,  0.0001294600000000 ]  - [  -0.0003248600000000, -0.0002322900000000, -0.0003100400000000 ]  - [  -0.0003742600000000, -0.0003295800000000, -0.0007423000000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002848800000000,  0.0004449900000000,  0.0001689600000000 ]  - [  -0.0002917700000000,  0.0004337800000000,  0.0001808500000000 ]  - [  -0.0002143400000000, -0.0005165000000000, -0.0000655300000000 ]  - [  -0.0002790700000000, -0.0004869800000000, -0.0000725000000000 ]  - [   0.0002816900000000,  0.0004453400000000, -0.0001551300000000 ]  - [   0.0002658200000000,  0.0004586400000000, -0.0000985000000000 ]  - [   0.0002842500000000, -0.0004233700000000,  0.0001666700000000 ]  - [   0.0002810500000000, -0.0004592100000000,  0.0001705500000000 ]  - [   0.0059672400000000, -0.0091720700000000, -0.0095775200000000 ]  - [   0.0000479900000000,  0.0012603300000000,  0.0005253200000000 ]  - [   0.0006034800000000, -0.0002826400000000,  0.0007886200000000 ]  - [   0.0068703000000000,  0.0105593500000000, -0.0097195100000000 ]  - [   0.0059672400000000,  0.0091720700000000,  0.0095775200000000 ]  - [   0.0000479900000000, -0.0012603300000000, -0.0005253200000000 ]  - [   0.0006034800000000,  0.0002826400000000, -0.0007886200000000 ]  - [   0.0068703000000000, -0.0105593500000000,  0.0097195100000000 ]  - [  -0.0002143400000000,  0.0005165000000000,  0.0000655300000000 ]  - [  -0.0002790700000000,  0.0004869800000000,  0.0000725000000000 ]  - [  -0.0002848800000000, -0.0004449900000000, -0.0001689600000000 ]  - [  -0.0002917700000000, -0.0004337800000000, -0.0001808500000000 ]  - [   0.0002842500000000,  0.0004233700000000, -0.0001666700000000 ]  - [   0.0002810500000000,  0.0004592100000000, -0.0001705500000000 ]  - [   0.0002816900000000, -0.0004453400000000,  0.0001551300000000 ]  - [   0.0002658200000000, -0.0004586400000000,  0.0000985000000000 ]  - [  -0.0002812000000000,  0.0004718100000000, -0.0001491800000000 ]  - [  -0.0002827800000000,  0.0004722100000000, -0.0001486100000000 ]  - [   0.0002693400000000,  0.0004830900000000,  0.0001359000000000 ]  - [   0.0002710200000000,  0.0004805200000000,  0.0001377800000000 ]  - [  -0.0002812000000000, -0.0004718100000000,  0.0001491800000000 ]  - [  -0.0002827800000000, -0.0004722100000000,  0.0001486100000000 ]  - [   0.0002693400000000, -0.0004830900000000, -0.0001359000000000 ]  - [   0.0002710200000000, -0.0004805200000000, -0.0001377800000000 ]  - [  -0.0002828100000000,  0.0004898300000000,  0.0001916000000000 ]  - [  -0.0002599500000000,  0.0004974000000000,  0.0001400400000000 ]  - [  -0.0002674300000000, -0.0004889300000000, -0.0001194400000000 ]  - [  -0.0002570100000000, -0.0005193600000000, -0.0001286400000000 ]  - [   0.0002633600000000,  0.0005032800000000, -0.0001212800000000 ]  - [   0.0002502000000000,  0.0005089900000000, -0.0001147800000000 ]  - [   0.0003339900000000, -0.0004323500000000,  0.0002242100000000 ]  - [   0.0002635100000000, -0.0004548800000000,  0.0002241900000000 ]  - [  -0.0002702200000000,  0.0004797400000000, -0.0001381300000000 ]  - [  -0.0002683400000000,  0.0004761700000000, -0.0001418100000000 ]  - [   0.0002691900000000,  0.0004660400000000,  0.0001552900000000 ]  - [   0.0002719400000000,  0.0004701700000000,  0.0001510100000000 ]  - [  -0.0002702200000000, -0.0004797400000000,  0.0001381300000000 ]  - [  -0.0002683400000000, -0.0004761700000000,  0.0001418100000000 ]  - [   0.0002691900000000, -0.0004660400000000, -0.0001552900000000 ]  - [   0.0002719400000000, -0.0004701700000000, -0.0001510100000000 ]  - [  -0.0002674300000000,  0.0004889300000000,  0.0001194400000000 ]  - [  -0.0002570100000000,  0.0005193600000000,  0.0001286400000000 ]  - [  -0.0002828100000000, -0.0004898300000000, -0.0001916000000000 ]  - [  -0.0002599500000000, -0.0004974000000000, -0.0001400400000000 ]  - [   0.0003339900000000,  0.0004323500000000, -0.0002242100000000 ]  - [   0.0002635100000000,  0.0004548800000000, -0.0002241900000000 ]  - [   0.0002633600000000, -0.0005032800000000,  0.0001212800000000 ]  - [   0.0002502000000000, -0.0005089900000000,  0.0001147800000000 ]  - [  -0.0002318200000000,  0.0006015400000000, -0.0000683300000000 ]  - [  -0.0002711000000000,  0.0005333100000000, -0.0000903900000000 ]  - [   0.0003108000000000,  0.0003419600000000,  0.0002271000000000 ]  - [   0.0002702100000000,  0.0004123000000000,  0.0002029400000000 ]  - [  -0.0002318200000000, -0.0006015400000000,  0.0000683300000000 ]  - [  -0.0002711000000000, -0.0005333100000000,  0.0000903900000000 ]  - [   0.0003108000000000, -0.0003419600000000, -0.0002271000000000 ]  - [   0.0002702100000000, -0.0004123000000000, -0.0002029400000000 ]  - [  -0.0887254900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0022685500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000059900000000,  0.0000092000000000, -0.0000129700000000 ]  - [   0.0000012300000000,  0.0000042700000000, -0.0000100100000000 ]  - [  -0.0000049500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000063300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000059900000000, -0.0000092000000000,  0.0000129700000000 ]  - [   0.0000012300000000, -0.0000042700000000,  0.0000100100000000 ]  - [   0.0000003900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000006800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000013500000000, -0.0000041700000000, -0.0000098600000000 ]  - [   0.0000064400000000, -0.0000094300000000, -0.0000131200000000 ]  - [   0.0000569500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000559800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000013500000000,  0.0000041700000000,  0.0000098600000000 ]  - [   0.0000064400000000,  0.0000094300000000,  0.0000131200000000 ]  - [  -0.0001041900000000, -0.0000959800000000,  0.0001822600000000 ]  - [   0.0001235000000000,  0.0000920300000000,  0.0000623200000000 ]  - [   0.0001209800000000, -0.0000907300000000,  0.0001226000000000 ]  - [  -0.0000978000000000,  0.0001020900000000,  0.0002468800000000 ]  - [   0.0000554600000000, -0.0002002800000000,  0.0001845500000000 ]  - [   0.0000559600000000, -0.0002024300000000, -0.0001251100000000 ]  - [  -0.0000091300000000, -0.0000356100000000, -0.0000297900000000 ]  - [   0.0000058900000000, -0.0000347300000000, -0.0000296100000000 ]  - [  -0.0000033600000000,  0.0000001600000000, -0.0000165100000000 ]  - [  -0.0000024500000000, -0.0000001500000000, -0.0000139300000000 ]  - [  -0.0000019000000000,  0.0000000400000000,  0.0000457200000000 ]  - [  -0.0000029300000000, -0.0000004100000000,  0.0000432000000000 ]  - [  -0.0000027000000000, -0.0000335600000000,  0.0000274100000000 ]  - [  -0.0000029700000000, -0.0000342200000000,  0.0000327600000000 ]  - [  -0.0000087000000000, -0.0000490100000000, -0.0000295800000000 ]  - [   0.0000069300000000, -0.0000541200000000, -0.0000295600000000 ]  - [  -0.0000019000000000, -0.0000000400000000, -0.0000457200000000 ]  - [  -0.0000029300000000,  0.0000004100000000, -0.0000432000000000 ]  - [  -0.0000033600000000, -0.0000001600000000,  0.0000165100000000 ]  - [  -0.0000024500000000,  0.0000001500000000,  0.0000139300000000 ]  - [  -0.0000091300000000,  0.0000356100000000,  0.0000297900000000 ]  - [   0.0000058900000000,  0.0000347300000000,  0.0000296100000000 ]  - [   0.0000554600000000,  0.0002002800000000, -0.0001845500000000 ]  - [   0.0000559600000000,  0.0002024300000000,  0.0001251100000000 ]  - [   0.0001209800000000,  0.0000907300000000, -0.0001226000000000 ]  - [  -0.0000978000000000, -0.0001020900000000, -0.0002468800000000 ]  - [  -0.0001041900000000,  0.0000959800000000, -0.0001822600000000 ]  - [   0.0001235000000000, -0.0000920300000000, -0.0000623200000000 ]  - [  -0.0000087000000000,  0.0000490100000000,  0.0000295800000000 ]  - [   0.0000069300000000,  0.0000541200000000,  0.0000295600000000 ]  - [  -0.0000027000000000,  0.0000335600000000, -0.0000274100000000 ]  - [  -0.0000029700000000,  0.0000342200000000, -0.0000327600000000 ]  - [   0.0291671400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0303004400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000776900000000,  0.0000384700000000, -0.0000543400000000 ]  - [   0.0000052800000000,  0.0000161100000000, -0.0000518000000000 ]  - [   0.0000124700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000118000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000776900000000, -0.0000384700000000,  0.0000543400000000 ]  - [   0.0000052800000000, -0.0000161100000000,  0.0000518000000000 ]  - [  -0.0000207000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000127400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000002400000000, -0.0000165500000000, -0.0000519200000000 ]  - [  -0.0000727900000000, -0.0000379700000000, -0.0000537200000000 ]  - [  -0.0002425800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001312500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000002400000000,  0.0000165500000000,  0.0000519200000000 ]  - [  -0.0000727900000000,  0.0000379700000000,  0.0000537200000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002582900000000,  0.0004404300000000,  0.0001701900000000 ]  - [  -0.0002541300000000,  0.0004338200000000,  0.0001792400000000 ]  - [  -0.0001209000000000, -0.0005507900000000, -0.0000081300000000 ]  - [  -0.0003092800000000, -0.0004810200000000, -0.0000975200000000 ]  - [   0.0002636500000000,  0.0004361800000000, -0.0001548700000000 ]  - [   0.0002281000000000,  0.0004573700000000, -0.0000832200000000 ]  - [   0.0002763100000000, -0.0004068700000000,  0.0001714800000000 ]  - [   0.0002393700000000, -0.0004838700000000,  0.0001701400000000 ]  - [  -0.0074843200000000,  0.0161031900000000,  0.0105227800000000 ]  - [  -0.0001055800000000,  0.0005966900000000, -0.0005199300000000 ]  - [   0.0001055800000000,  0.0005966900000000,  0.0005199300000000 ]  - [   0.0074843200000000,  0.0161031900000000, -0.0105227800000000 ]  - [   0.0064872500000000,  0.0148775300000000,  0.0104187300000000 ]  - [  -0.0003809100000000, -0.0003528800000000, -0.0002279500000000 ]  - [   0.0003809100000000, -0.0003528800000000,  0.0002279500000000 ]  - [  -0.0064872500000000,  0.0148775300000000, -0.0104187300000000 ]  - [  -0.0003661300000000,  0.0004066200000000,  0.0002750500000000 ]  - [  -0.0001700200000000,  0.0004666200000000,  0.0001954800000000 ]  - [  -0.0002295800000000, -0.0005167400000000, -0.0001135200000000 ]  - [  -0.0002254300000000, -0.0005136800000000, -0.0001137100000000 ]  - [   0.0002034800000000,  0.0005396200000000, -0.0001216500000000 ]  - [   0.0002477600000000,  0.0004736000000000, -0.0001128400000000 ]  - [   0.0002172900000000, -0.0005102400000000,  0.0001397700000000 ]  - [   0.0002596300000000, -0.0004999600000000,  0.0002010300000000 ]  - [  -0.0002457600000000,  0.0004621100000000, -0.0001537700000000 ]  - [  -0.0002498900000000,  0.0004649600000000, -0.0001509600000000 ]  - [   0.0002498900000000,  0.0004649600000000,  0.0001509600000000 ]  - [   0.0002457600000000,  0.0004621100000000,  0.0001537700000000 ]  - [  -0.0002373400000000, -0.0004891900000000,  0.0001368700000000 ]  - [  -0.0002411800000000, -0.0004902400000000,  0.0001360900000000 ]  - [   0.0002411800000000, -0.0004902400000000, -0.0001360900000000 ]  - [   0.0002373400000000, -0.0004891900000000, -0.0001368700000000 ]  - [  -0.0002281000000000,  0.0004573700000000,  0.0000832200000000 ]  - [  -0.0002636500000000,  0.0004361800000000,  0.0001548700000000 ]  - [  -0.0002393700000000, -0.0004838700000000, -0.0001701400000000 ]  - [  -0.0002763100000000, -0.0004068700000000, -0.0001714800000000 ]  - [   0.0002582900000000,  0.0004404300000000, -0.0001701900000000 ]  - [   0.0002541300000000,  0.0004338200000000, -0.0001792400000000 ]  - [   0.0001209000000000, -0.0005507900000000,  0.0000081300000000 ]  - [   0.0003092800000000, -0.0004810200000000,  0.0000975200000000 ]  - [  -0.0002417500000000,  0.0004841200000000, -0.0001355000000000 ]  - [  -0.0002430500000000,  0.0004841000000000, -0.0001359600000000 ]  - [   0.0002417500000000,  0.0004841200000000,  0.0001355000000000 ]  - [   0.0002430500000000,  0.0004841000000000,  0.0001359600000000 ]  - [  -0.0002515600000000, -0.0004703700000000,  0.0001522800000000 ]  - [  -0.0002502400000000, -0.0004714700000000,  0.0001505500000000 ]  - [   0.0002515600000000, -0.0004703700000000, -0.0001522800000000 ]  - [   0.0002502400000000, -0.0004714700000000, -0.0001505500000000 ]  - [  -0.0002477600000000,  0.0004736000000000,  0.0001128400000000 ]  - [  -0.0002034800000000,  0.0005396200000000,  0.0001216500000000 ]  - [  -0.0002596300000000, -0.0004999600000000, -0.0002010300000000 ]  - [  -0.0002172900000000, -0.0005102400000000, -0.0001397700000000 ]  - [   0.0003661300000000,  0.0004066200000000, -0.0002750500000000 ]  - [   0.0001700200000000,  0.0004666200000000, -0.0001954800000000 ]  - [   0.0002295800000000, -0.0005167400000000,  0.0001135200000000 ]  - [   0.0002254300000000, -0.0005136800000000,  0.0001137100000000 ]  - [  -0.0002886100000000,  0.0003532500000000, -0.0002297200000000 ]  - [  -0.0002615200000000,  0.0003551900000000, -0.0002009500000000 ]  - [   0.0002886100000000,  0.0003532500000000,  0.0002297200000000 ]  - [   0.0002615200000000,  0.0003551900000000,  0.0002009500000000 ]  - [  -0.0001934400000000, -0.0006006400000000,  0.0000575300000000 ]  - [  -0.0002210500000000, -0.0005995600000000,  0.0000860900000000 ]  - [   0.0001934400000000, -0.0006006400000000, -0.0000575300000000 ]  - [   0.0002210500000000, -0.0005995600000000, -0.0000860900000000 ]  - [   0.0000000000000000, -0.0467612200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000312500000000,  0.0000000000000000 ]  - [   0.0000095300000000,  0.0000048300000000, -0.0000173400000000 ]  - [   0.0000040400000000,  0.0000037300000000, -0.0000127800000000 ]  - [   0.0000000000000000,  0.0000010700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000009400000000,  0.0000000000000000 ]  - [  -0.0000092500000000,  0.0000048700000000, -0.0000171600000000 ]  - [  -0.0000043800000000,  0.0000036500000000, -0.0000126300000000 ]  - [   0.0000000400000000, -0.0000070900000000,  0.0000001400000000 ]  - [  -0.0000000400000000, -0.0000070900000000, -0.0000001400000000 ]  - [  -0.0000040400000000,  0.0000037300000000,  0.0000127800000000 ]  - [  -0.0000095300000000,  0.0000048300000000,  0.0000173400000000 ]  - [   0.0000009100000000,  0.0000441000000000, -0.0000063400000000 ]  - [  -0.0000009100000000,  0.0000441000000000,  0.0000063400000000 ]  - [   0.0000043800000000,  0.0000036500000000,  0.0000126300000000 ]  - [   0.0000092500000000,  0.0000048700000000,  0.0000171600000000 ]  - [  -0.0003455400000000,  0.0005535200000000, -0.0003870300000000 ]  - [   0.0001445100000000,  0.0001576200000000,  0.0000679900000000 ]  - [  -0.0001445100000000,  0.0001576200000000, -0.0000679900000000 ]  - [   0.0003455400000000,  0.0005535200000000,  0.0003870300000000 ]  - [   0.0000612500000000, -0.0002412300000000,  0.0004087200000000 ]  - [   0.0000612400000000, -0.0002411200000000, -0.0003505800000000 ]  - [  -0.0000134400000000, -0.0000449800000000, -0.0000288500000000 ]  - [   0.0000146300000000, -0.0000400500000000, -0.0000286900000000 ]  - [   0.0000006400000000, -0.0000041400000000, -0.0000416600000000 ]  - [  -0.0000003900000000, -0.0000025300000000, -0.0000448100000000 ]  - [   0.0000003900000000, -0.0000025300000000,  0.0000448100000000 ]  - [  -0.0000006400000000, -0.0000041400000000,  0.0000416600000000 ]  - [   0.0000002700000000,  0.0000371800000000,  0.0000290600000000 ]  - [  -0.0000000900000000,  0.0000358800000000,  0.0000282200000000 ]  - [   0.0000016500000000,  0.0000545200000000, -0.0000285200000000 ]  - [  -0.0000050900000000,  0.0000552400000000, -0.0000284800000000 ]  - [  -0.0000011200000000, -0.0000032300000000, -0.0000126200000000 ]  - [   0.0000003600000000, -0.0000031800000000, -0.0000154000000000 ]  - [  -0.0000003600000000, -0.0000031800000000,  0.0000154000000000 ]  - [   0.0000011200000000, -0.0000032300000000,  0.0000126200000000 ]  - [   0.0000134400000000, -0.0000449800000000,  0.0000288500000000 ]  - [  -0.0000146300000000, -0.0000400500000000,  0.0000286900000000 ]  - [  -0.0000612400000000, -0.0002411200000000,  0.0003505800000000 ]  - [  -0.0000612500000000, -0.0002412300000000, -0.0004087200000000 ]  - [   0.0001468600000000,  0.0001573800000000, -0.0001259300000000 ]  - [  -0.0003380300000000,  0.0005399200000000,  0.0003219300000000 ]  - [   0.0003380300000000,  0.0005399200000000, -0.0003219300000000 ]  - [  -0.0001468600000000,  0.0001573800000000,  0.0001259300000000 ]  - [  -0.0000016500000000,  0.0000545200000000,  0.0000285200000000 ]  - [   0.0000050900000000,  0.0000552400000000,  0.0000284800000000 ]  - [   0.0000000900000000,  0.0000358800000000, -0.0000282200000000 ]  - [  -0.0000002700000000,  0.0000371800000000, -0.0000290600000000 ]  - [   0.0000430400000000, -0.0083501900000000, -0.0053551600000000 ]  - [  -0.0000430400000000, -0.0083501900000000,  0.0053551600000000 ]  - [  -0.0000840200000000,  0.0000481600000000, -0.0000337800000000 ]  - [   0.0000273200000000,  0.0000110600000000, -0.0000527500000000 ]  - [   0.0000005200000000,  0.0000136600000000,  0.0000007800000000 ]  - [  -0.0000005200000000,  0.0000136600000000, -0.0000007800000000 ]  - [   0.0000751600000000,  0.0000468900000000, -0.0000344700000000 ]  - [  -0.0000191900000000,  0.0000107900000000, -0.0000532600000000 ]  - [   0.0000000000000000, -0.0000210100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000189900000000,  0.0000000000000000 ]  - [  -0.0000273200000000,  0.0000110600000000,  0.0000527500000000 ]  - [   0.0000840200000000,  0.0000481600000000,  0.0000337800000000 ]  - [   0.0000000000000000,  0.0001803300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001638800000000,  0.0000000000000000 ]  - [   0.0000191900000000,  0.0000107900000000,  0.0000532600000000 ]  - [  -0.0000751600000000,  0.0000468900000000,  0.0000344700000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002463600000000,  0.0005176200000000,  0.0001008700000000 ]  - [  -0.0002292100000000,  0.0005103900000000,  0.0001064100000000 ]  - [  -0.0002994800000000, -0.0003267800000000, -0.0002970200000000 ]  - [  -0.0002467000000000, -0.0004448100000000, -0.0002032100000000 ]  - [   0.0002247200000000,  0.0005116200000000, -0.0000710600000000 ]  - [   0.0002630000000000,  0.0004795600000000, -0.0001938400000000 ]  - [   0.0002302500000000, -0.0004973400000000,  0.0001060600000000 ]  - [   0.0002414000000000, -0.0004863600000000,  0.0001147500000000 ]  - [  -0.0072739700000000,  0.0113072400000000,  0.0153052100000000 ]  - [  -0.0000716600000000,  0.0001079800000000,  0.0000522100000000 ]  - [   0.0004291400000000,  0.0008444700000000,  0.0003419000000000 ]  - [  -0.0062924600000000, -0.0099803500000000,  0.0153380000000000 ]  - [   0.0062924600000000,  0.0099803500000000,  0.0153380000000000 ]  - [  -0.0004291400000000, -0.0008444700000000,  0.0003419000000000 ]  - [   0.0000716600000000, -0.0001079800000000,  0.0000522100000000 ]  - [   0.0072739700000000, -0.0113072400000000,  0.0153052100000000 ]  - [  -0.0001977500000000,  0.0006274800000000, -0.0000111700000000 ]  - [  -0.0002499100000000,  0.0005043500000000,  0.0000878900000000 ]  - [  -0.0002510500000000, -0.0004358200000000, -0.0001867000000000 ]  - [  -0.0002677600000000, -0.0004388700000000, -0.0001844500000000 ]  - [   0.0002678500000000,  0.0004512400000000, -0.0001853100000000 ]  - [   0.0002556700000000,  0.0004671700000000, -0.0001729500000000 ]  - [   0.0002736500000000, -0.0004372600000000,  0.0002201800000000 ]  - [   0.0002339700000000, -0.0004743200000000,  0.0000939500000000 ]  - [  -0.0002611500000000,  0.0004519000000000, -0.0001816200000000 ]  - [  -0.0002631500000000,  0.0004534600000000, -0.0001794400000000 ]  - [   0.0002408600000000,  0.0005042500000000,  0.0001038700000000 ]  - [   0.0002371300000000,  0.0005029400000000,  0.0001045600000000 ]  - [  -0.0002371300000000, -0.0005029400000000,  0.0001045600000000 ]  - [  -0.0002408600000000, -0.0005042500000000,  0.0001038700000000 ]  - [   0.0002631500000000, -0.0004534600000000, -0.0001794400000000 ]  - [   0.0002611500000000, -0.0004519000000000, -0.0001816200000000 ]  - [  -0.0002339700000000,  0.0004743200000000,  0.0000939500000000 ]  - [  -0.0002736500000000,  0.0004372600000000,  0.0002201800000000 ]  - [  -0.0002556700000000, -0.0004671700000000, -0.0001729500000000 ]  - [  -0.0002678500000000, -0.0004512400000000, -0.0001853100000000 ]  - [   0.0002510500000000,  0.0004358200000000, -0.0001867000000000 ]  - [   0.0002677600000000,  0.0004388700000000, -0.0001844500000000 ]  - [   0.0001977500000000, -0.0006274800000000, -0.0000111700000000 ]  - [   0.0002499100000000, -0.0005043500000000,  0.0000878900000000 ]  - [  -0.0002616800000000,  0.0004509400000000, -0.0001833200000000 ]  - [  -0.0002616800000000,  0.0004510200000000, -0.0001824400000000 ]  - [   0.0002382400000000,  0.0005025200000000,  0.0001046200000000 ]  - [   0.0002381500000000,  0.0005026300000000,  0.0001052700000000 ]  - [  -0.0002382400000000, -0.0005025200000000,  0.0001046200000000 ]  - [  -0.0002381500000000, -0.0005026300000000,  0.0001052700000000 ]  - [   0.0002616800000000, -0.0004509400000000, -0.0001833200000000 ]  - [   0.0002616800000000, -0.0004510200000000, -0.0001824400000000 ]  - [  -0.0002414000000000,  0.0004863600000000,  0.0001147500000000 ]  - [  -0.0002302500000000,  0.0004973400000000,  0.0001060600000000 ]  - [  -0.0002630000000000, -0.0004795600000000, -0.0001938400000000 ]  - [  -0.0002247200000000, -0.0005116200000000, -0.0000710600000000 ]  - [   0.0002994800000000,  0.0003267800000000, -0.0002970200000000 ]  - [   0.0002467000000000,  0.0004448100000000, -0.0002032100000000 ]  - [   0.0002463600000000, -0.0005176200000000,  0.0001008700000000 ]  - [   0.0002292100000000, -0.0005103900000000,  0.0001064100000000 ]  - [  -0.0000962000000000,  0.0007534200000000,  0.0000215800000000 ]  - [  -0.0002927800000000,  0.0005069900000000, -0.0000310700000000 ]  - [   0.0004038100000000,  0.0002003200000000,  0.0003087600000000 ]  - [   0.0002066100000000,  0.0004459500000000,  0.0002574600000000 ]  - [  -0.0004038100000000, -0.0002003200000000,  0.0003087600000000 ]  - [  -0.0002066100000000, -0.0004459500000000,  0.0002574600000000 ]  - [   0.0000962000000000, -0.0007534200000000,  0.0000215800000000 ]  - [   0.0002927800000000, -0.0005069900000000, -0.0000310700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0452015400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000038000000000 ]  - [  -0.0000134200000000, -0.0000173900000000,  0.0000189100000000 ]  - [  -0.0000099100000000, -0.0000126300000000,  0.0000316900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000224900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000236300000000 ]  - [   0.0000128400000000, -0.0000173100000000,  0.0000188800000000 ]  - [   0.0000101100000000, -0.0000127400000000,  0.0000318200000000 ]  - [  -0.0000003100000000, -0.0000000600000000,  0.0000228400000000 ]  - [   0.0000003100000000,  0.0000000600000000,  0.0000228400000000 ]  - [  -0.0000101100000000,  0.0000127400000000,  0.0000318200000000 ]  - [  -0.0000128400000000,  0.0000173100000000,  0.0000188800000000 ]  - [   0.0000002300000000,  0.0000062300000000, -0.0000564600000000 ]  - [  -0.0000002300000000, -0.0000062300000000, -0.0000564600000000 ]  - [   0.0000099100000000,  0.0000126300000000,  0.0000316900000000 ]  - [   0.0000134200000000,  0.0000173900000000,  0.0000189100000000 ]  - [   0.0003901700000000, -0.0003454600000000, -0.0002431200000000 ]  - [  -0.0002353400000000, -0.0001384700000000, -0.0000294300000000 ]  - [  -0.0002331800000000,  0.0001374400000000,  0.0000307700000000 ]  - [   0.0003935800000000,  0.0003490300000000, -0.0001817100000000 ]  - [   0.0001246000000000, -0.0000782300000000,  0.0002256400000000 ]  - [  -0.0001246000000000,  0.0000782300000000,  0.0002256400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000482300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000398000000000 ]  - [   0.0000000600000000, -0.0000001200000000,  0.0000394000000000 ]  - [   0.0000001700000000,  0.0000002300000000,  0.0000374800000000 ]  - [   0.0000002500000000,  0.0000004900000000,  0.0000954200000000 ]  - [   0.0000006800000000, -0.0000004600000000,  0.0000970300000000 ]  - [  -0.0000019700000000,  0.0000018400000000,  0.0000904100000000 ]  - [   0.0000019700000000, -0.0000018400000000,  0.0000904100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000541100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000543800000000 ]  - [  -0.0000001700000000, -0.0000002300000000,  0.0000374800000000 ]  - [  -0.0000000600000000,  0.0000001200000000,  0.0000394000000000 ]  - [  -0.0000006800000000,  0.0000004600000000,  0.0000970300000000 ]  - [  -0.0000002500000000, -0.0000004900000000,  0.0000954200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001053100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000971800000000 ]  - [  -0.0001245000000000, -0.0000767600000000,  0.0001665600000000 ]  - [   0.0001245000000000,  0.0000767600000000,  0.0001665600000000 ]  - [   0.0002353400000000,  0.0001384700000000, -0.0000294300000000 ]  - [  -0.0003901700000000,  0.0003454600000000, -0.0002431200000000 ]  - [  -0.0003935800000000, -0.0003490300000000, -0.0001817100000000 ]  - [   0.0002331800000000, -0.0001374400000000,  0.0000307700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000023700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000025400000000 ]  - [   0.0000021200000000,  0.0000013200000000,  0.0000326500000000 ]  - [  -0.0000021200000000, -0.0000013200000000,  0.0000326500000000 ]  - [   0.0000481000000000, -0.0058379900000000, -0.0086380100000000 ]  - [  -0.0000481000000000,  0.0058379900000000, -0.0086380100000000 ]  - [   0.0001372800000000, -0.0000901000000000,  0.0000407600000000 ]  - [  -0.0000162300000000, -0.0000048100000000,  0.0000658100000000 ]  - [  -0.0000001600000000,  0.0000007400000000,  0.0000558200000000 ]  - [   0.0000001600000000, -0.0000007400000000,  0.0000558200000000 ]  - [  -0.0001415000000000, -0.0000896900000000,  0.0000399600000000 ]  - [   0.0000204300000000, -0.0000046500000000,  0.0000650600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000590600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000564400000000 ]  - [  -0.0000204300000000,  0.0000046500000000,  0.0000650600000000 ]  - [   0.0001415000000000,  0.0000896900000000,  0.0000399600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004385200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000409500000000 ]  - [   0.0000162300000000,  0.0000048100000000,  0.0000658100000000 ]  - [  -0.0001372800000000,  0.0000901000000000,  0.0000407600000000 ]- atom:   81  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001188600000000,  0.0004973200000000,  0.0001126000000000 ]  - [  -0.0003207900000000,  0.0004475500000000,  0.0001668600000000 ]  - [   0.0012288600000000, -0.0016719000000000, -0.0005316400000000 ]  - [  -0.0005868700000000, -0.0002702900000000, -0.0004688300000000 ]  - [   0.0017489900000000, -0.0007324500000000,  0.0001963400000000 ]  - [  -0.0000647600000000,  0.0006598600000000,  0.0001619200000000 ]  - [   0.0004038400000000, -0.0004340300000000,  0.0001960400000000 ]  - [   0.0002042900000000, -0.0004804000000000,  0.0001443700000000 ]  - [   0.0007544400000000,  0.0008971800000000,  0.0004550300000000 ]  - [  -0.0009079300000000, -0.0000337700000000, -0.0004882000000000 ]  - [   0.0031813300000000,  0.0009402600000000,  0.0007545300000000 ]  - [   0.0014027300000000,  0.0000905300000000, -0.0004639100000000 ]  - [   0.0002165100000000, -0.0008709100000000, -0.0001626100000000 ]  - [  -0.0007762700000000, -0.0000540000000000,  0.0005048900000000 ]  - [   0.0001288800000000, -0.0008900600000000,  0.0002951000000000 ]  - [   0.0004793100000000, -0.0001249500000000, -0.0005017500000000 ]  - [  -0.0002223100000000,  0.0004841500000000,  0.0001186100000000 ]  - [  -0.0003021400000000,  0.0004448100000000,  0.0001921500000000 ]  - [  -0.0002547900000000, -0.0004709600000000, -0.0001538400000000 ]  - [  -0.0002692200000000, -0.0004587700000000, -0.0001553600000000 ]  - [   0.0002691200000000,  0.0004596400000000, -0.0001550500000000 ]  - [   0.0002541000000000,  0.0004720900000000, -0.0001533700000000 ]  - [   0.0003013000000000, -0.0004463700000000,  0.0001902800000000 ]  - [   0.0002213300000000, -0.0004857600000000,  0.0001164500000000 ]  - [  -0.0002598700000000,  0.0004653300000000, -0.0001581200000000 ]  - [  -0.0002660700000000,  0.0004673900000000, -0.0001519400000000 ]  - [   0.0002639500000000,  0.0004678600000000,  0.0001522700000000 ]  - [   0.0002623600000000,  0.0004664800000000,  0.0001532500000000 ]  - [  -0.0002610600000000, -0.0004668400000000,  0.0001527200000000 ]  - [  -0.0002651600000000, -0.0004677300000000,  0.0001517200000000 ]  - [   0.0002649200000000, -0.0004670100000000, -0.0001576500000000 ]  - [   0.0002625500000000, -0.0004651300000000, -0.0001545600000000 ]  - [  -0.0002318400000000,  0.0004728200000000,  0.0001987800000000 ]  - [  -0.0002878100000000,  0.0004564300000000,  0.0000945000000000 ]  - [  -0.0002510700000000, -0.0004682900000000, -0.0001477900000000 ]  - [  -0.0002694600000000, -0.0004623800000000, -0.0001620900000000 ]  - [   0.0002691400000000,  0.0004606900000000, -0.0001628300000000 ]  - [   0.0002531500000000,  0.0004687400000000, -0.0001464200000000 ]  - [   0.0002883600000000, -0.0004563300000000,  0.0001116200000000 ]  - [   0.0002346200000000, -0.0004748100000000,  0.0002131200000000 ]  - [  -0.0002591900000000,  0.0004643800000000, -0.0001504100000000 ]  - [  -0.0002591800000000,  0.0004639000000000, -0.0001558800000000 ]  - [   0.0002611900000000,  0.0004619100000000,  0.0001574500000000 ]  - [   0.0002586900000000,  0.0004642800000000,  0.0001559400000000 ]  - [  -0.0002601200000000, -0.0004637700000000,  0.0001552600000000 ]  - [  -0.0002591400000000, -0.0004629200000000,  0.0001567800000000 ]  - [   0.0002623100000000, -0.0004633200000000, -0.0001526800000000 ]  - [   0.0002577500000000, -0.0004643700000000, -0.0001562000000000 ]  - [  -0.0002620000000000,  0.0004530100000000,  0.0001330500000000 ]  - [  -0.0002625900000000,  0.0004703900000000,  0.0001664100000000 ]  - [  -0.0002224900000000, -0.0004509500000000, -0.0001666200000000 ]  - [  -0.0003087500000000, -0.0004769500000000, -0.0001434900000000 ]  - [   0.0002985700000000,  0.0004794100000000, -0.0001424100000000 ]  - [   0.0002129000000000,  0.0004525100000000, -0.0001664000000000 ]  - [   0.0002587600000000, -0.0004772800000000,  0.0001763000000000 ]  - [   0.0002594900000000, -0.0004588000000000,  0.0001440800000000 ]  - [  -0.0003922200000000,  0.0000438100000000, -0.0006006500000000 ]  - [  -0.0000403200000000,  0.0008024000000000,  0.0001895400000000 ]  - [   0.0007384700000000,  0.0000577600000000,  0.0004756600000000 ]  - [  -0.0002508300000000,  0.0008755800000000, -0.0001936400000000 ]  - [   0.0027565100000000,  0.0000850600000000, -0.0004231700000000 ]  - [   0.0008031700000000, -0.0007728000000000,  0.0007867500000000 ]  - [   0.0012815900000000, -0.0000276800000000, -0.0007745900000000 ]  - [  -0.0003848800000000, -0.0009644800000000,  0.0001777000000000 ]  - [  -0.0000987500000000, -0.0003418000000000,  0.0003931900000000 ]  - [   0.0001261000000000,  0.0001464000000000, -0.0002368300000000 ]  - [   0.0000585900000000,  0.0000623200000000,  0.0001245200000000 ]  - [   0.0000576800000000,  0.0000601800000000, -0.0001247300000000 ]  - [  -0.0000005300000000,  0.0000006200000000,  0.0000003000000000 ]  - [   0.0000005400000000, -0.0000007100000000,  0.0000002700000000 ]  - [  -0.0000005400000000,  0.0000000100000000, -0.0000022100000000 ]  - [  -0.0000003700000000,  0.0000000300000000,  0.0000022100000000 ]  - [  -0.0000004800000000,  0.0000005600000000, -0.0000002700000000 ]  - [   0.0000005000000000, -0.0000007200000000, -0.0000002300000000 ]  - [  -0.0000067200000000,  0.0000133200000000,  0.0000000600000000 ]  - [   0.0000082600000000, -0.0000145300000000,  0.0000000200000000 ]  - [  -0.0000981300000000, -0.0003410000000000, -0.0003903100000000 ]  - [   0.0001235600000000,  0.0001445300000000,  0.0002315100000000 ]  - [  -0.0000059600000000, -0.0000016300000000, -0.0000000600000000 ]  - [   0.0000098100000000,  0.0000049100000000, -0.0000000200000000 ]  - [  -0.0123656300000000, -0.0024573500000000, -0.0000558700000000 ]  - [   0.0009609200000000,  0.0000617100000000, -0.0000300400000000 ]  - [   0.0005337200000000,  0.0000150100000000, -0.0010865800000000 ]  - [   0.0005339100000000,  0.0000154600000000,  0.0011542500000000 ]  - [  -0.0001317400000000,  0.0005119600000000,  0.0005402800000000 ]  - [   0.0001142500000000, -0.0000656400000000, -0.0001644900000000 ]  - [  -0.0000013000000000, -0.0000257500000000, -0.0000666500000000 ]  - [   0.0000095400000000,  0.0000043900000000, -0.0000134400000000 ]  - [  -0.0000009800000000, -0.0000013200000000, -0.0000299400000000 ]  - [   0.0000006000000000, -0.0000012100000000, -0.0000299800000000 ]  - [   0.0000005300000000, -0.0000023900000000,  0.0000352500000000 ]  - [   0.0000004600000000, -0.0000023700000000,  0.0000247600000000 ]  - [  -0.0000040800000000, -0.0000007200000000,  0.0000276400000000 ]  - [   0.0000039900000000,  0.0000011900000000,  0.0000340800000000 ]  - [  -0.0000012400000000, -0.0000012300000000,  0.0000532000000000 ]  - [   0.0000093900000000, -0.0000002100000000, -0.0001107700000000 ]  - [   0.0000001600000000,  0.0000011500000000, -0.0000314500000000 ]  - [   0.0000000900000000,  0.0000011800000000, -0.0000282600000000 ]  - [   0.0000025200000000,  0.0000000500000000,  0.0000303300000000 ]  - [   0.0000006200000000,  0.0000048300000000,  0.0000301000000000 ]  - [  -0.0000041200000000, -0.0000008700000000,  0.0000326100000000 ]  - [   0.0000039200000000,  0.0000010600000000,  0.0000261400000000 ]  - [  -0.0000011400000000, -0.0000014900000000, -0.0001134800000000 ]  - [   0.0000094400000000, -0.0000004500000000,  0.0000513800000000 ]  - [  -0.0000000900000000,  0.0000003200000000,  0.0000110500000000 ]  - [  -0.0000006300000000, -0.0000000600000000, -0.0000713100000000 ]  - [  -0.0002070300000000,  0.0000729600000000,  0.0000302100000000 ]  - [   0.0002143000000000, -0.0000712400000000,  0.0000302200000000 ]  - [  -0.0001356600000000,  0.0005099700000000, -0.0004799300000000 ]  - [   0.0001147600000000, -0.0000656300000000,  0.0002230300000000 ]  - [  -0.0000010400000000, -0.0000266300000000,  0.0000073000000000 ]  - [   0.0000092600000000,  0.0000040800000000, -0.0000467400000000 ]  - [  -0.0017020500000000,  0.0023296400000000, -0.0020327200000000 ]  - [   0.0017827500000000, -0.0009524300000000,  0.0011451900000000 ]  - [  -0.0019686000000000,  0.0013363400000000,  0.0000065300000000 ]  - [   0.0005281900000000, -0.0003713400000000, -0.0000018600000000 ]  - [  -0.0000000700000000, -0.0000001300000000,  0.0000027100000000 ]  - [  -0.0000008100000000, -0.0000003100000000,  0.0000001600000000 ]  - [  -0.0000513900000000, -0.0000314200000000,  0.0000000000000000 ]  - [   0.0000549200000000,  0.0000323000000000,  0.0000000200000000 ]  - [  -0.0000019200000000, -0.0000001900000000, -0.0000024800000000 ]  - [   0.0000011800000000, -0.0000002300000000, -0.0000001300000000 ]  - [  -0.0000064900000000, -0.0000047900000000, -0.0000346700000000 ]  - [  -0.0000073500000000, -0.0000049400000000,  0.0000350400000000 ]  - [  -0.0017157500000000,  0.0023329300000000,  0.0020378200000000 ]  - [   0.0017727800000000, -0.0009441900000000, -0.0011418900000000 ]  - [   0.0000033800000000,  0.0000041300000000,  0.0000255900000000 ]  - [   0.0000044400000000,  0.0000043300000000, -0.0000256200000000 ]- atom:   81  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003390800000000,  0.0006977900000000,  0.0000480100000000 ]  - [  -0.0001874000000000,  0.0005432700000000,  0.0001292300000000 ]  - [  -0.0012000400000000,  0.0012210800000000,  0.0001171500000000 ]  - [  -0.0003929300000000, -0.0002082700000000, -0.0004097700000000 ]  - [  -0.0006894900000000,  0.0021503700000000, -0.0004522200000000 ]  - [   0.0001256400000000,  0.0007203500000000,  0.0000970000000000 ]  - [   0.0001778900000000, -0.0002321400000000,  0.0002643000000000 ]  - [   0.0003328200000000, -0.0003843500000000,  0.0001839400000000 ]  - [  -0.0003092200000000,  0.0009288600000000, -0.0003838200000000 ]  - [  -0.0001156000000000,  0.0008742200000000,  0.0002139600000000 ]  - [   0.0017359400000000,  0.0015959600000000,  0.0000629200000000 ]  - [  -0.0006366400000000,  0.0011691100000000,  0.0003400900000000 ]  - [  -0.0001398300000000, -0.0013849900000000,  0.0002595100000000 ]  - [  -0.0000557500000000, -0.0009021400000000, -0.0001819300000000 ]  - [  -0.0001839200000000, -0.0013064800000000,  0.0005978600000000 ]  - [   0.0001198300000000, -0.0009957000000000,  0.0002304400000000 ]  - [  -0.0003141100000000,  0.0003236000000000,  0.0002832100000000 ]  - [  -0.0003563000000000,  0.0003075800000000,  0.0003216400000000 ]  - [  -0.0002495700000000, -0.0005134800000000, -0.0001481000000000 ]  - [  -0.0002559500000000, -0.0005002200000000, -0.0001493600000000 ]  - [   0.0002704600000000,  0.0004160600000000, -0.0001639400000000 ]  - [   0.0002637000000000,  0.0004293700000000, -0.0001625700000000 ]  - [   0.0002058300000000, -0.0006061600000000,  0.0000282200000000 ]  - [   0.0001630400000000, -0.0006224000000000, -0.0000105700000000 ]  - [  -0.0002607800000000,  0.0004646100000000, -0.0001541900000000 ]  - [  -0.0002594200000000,  0.0004661800000000, -0.0001520600000000 ]  - [   0.0002609300000000,  0.0004643500000000,  0.0001547900000000 ]  - [   0.0002587300000000,  0.0004661200000000,  0.0001542000000000 ]  - [  -0.0002610100000000, -0.0004637000000000,  0.0001556100000000 ]  - [  -0.0002591300000000, -0.0004657900000000,  0.0001530000000000 ]  - [   0.0002602900000000, -0.0004648700000000, -0.0001530200000000 ]  - [   0.0002614200000000, -0.0004628100000000, -0.0001567600000000 ]  - [  -0.0001651400000000,  0.0006259800000000,  0.0000017700000000 ]  - [  -0.0001985200000000,  0.0006080200000000,  0.0000153400000000 ]  - [  -0.0002729900000000, -0.0004140500000000, -0.0001673700000000 ]  - [  -0.0002595700000000, -0.0004345400000000, -0.0001602600000000 ]  - [   0.0002462000000000,  0.0005164700000000, -0.0001439200000000 ]  - [   0.0002604700000000,  0.0004953100000000, -0.0001517400000000 ]  - [   0.0003538000000000, -0.0003049100000000,  0.0003092100000000 ]  - [   0.0003213300000000, -0.0003219300000000,  0.0002965600000000 ]  - [  -0.0002606100000000,  0.0004648400000000, -0.0001587600000000 ]  - [  -0.0002576500000000,  0.0004671500000000, -0.0001546800000000 ]  - [   0.0002585300000000,  0.0004658400000000,  0.0001558700000000 ]  - [   0.0002606900000000,  0.0004648000000000,  0.0001576500000000 ]  - [  -0.0002593800000000, -0.0004660300000000,  0.0001561200000000 ]  - [  -0.0002598100000000, -0.0004644800000000,  0.0001564300000000 ]  - [   0.0002588800000000, -0.0004648700000000, -0.0001578700000000 ]  - [   0.0002603700000000, -0.0004646400000000, -0.0001589100000000 ]  - [  -0.0002935300000000,  0.0003547400000000,  0.0001560300000000 ]  - [  -0.0002647000000000,  0.0004116200000000,  0.0001698500000000 ]  - [  -0.0001179500000000, -0.0007112400000000,  0.0000520700000000 ]  - [  -0.0002138500000000, -0.0006805300000000,  0.0000418700000000 ]  - [   0.0004039200000000,  0.0002226800000000, -0.0003593400000000 ]  - [   0.0003059100000000,  0.0002477600000000, -0.0003545500000000 ]  - [   0.0002289800000000, -0.0005785200000000,  0.0001530900000000 ]  - [   0.0002551700000000, -0.0005156600000000,  0.0001441100000000 ]  - [  -0.0007078000000000, -0.0003756100000000, -0.0009101700000000 ]  - [  -0.0003976600000000, -0.0000651900000000, -0.0005412500000000 ]  - [   0.0003731000000000, -0.0004616300000000,  0.0000441600000000 ]  - [   0.0004661500000000,  0.0000282900000000,  0.0004940300000000 ]  - [   0.0012713900000000,  0.0007029200000000,  0.0002685800000000 ]  - [  -0.0011983400000000,  0.0002678400000000, -0.0000167600000000 ]  - [   0.0002113000000000,  0.0000222300000000,  0.0000956400000000 ]  - [   0.0004046800000000, -0.0000562800000000, -0.0005258000000000 ]  - [  -0.0000950700000000,  0.0005433000000000, -0.0003419500000000 ]  - [   0.0000929800000000,  0.0001620800000000, -0.0001401200000000 ]  - [  -0.0002011900000000, -0.0002371900000000, -0.0000768700000000 ]  - [  -0.0002015400000000, -0.0002389400000000,  0.0000768200000000 ]  - [  -0.0000000400000000, -0.0000006100000000,  0.0000002900000000 ]  - [   0.0000004100000000,  0.0000000700000000, -0.0000002200000000 ]  - [  -0.0000338800000000,  0.0000393200000000,  0.0000009900000000 ]  - [  -0.0000339400000000,  0.0000393700000000, -0.0000008600000000 ]  - [   0.0000003700000000, -0.0000005800000000, -0.0000002500000000 ]  - [   0.0000000500000000,  0.0000001000000000,  0.0000002800000000 ]  - [   0.0000356400000000, -0.0000421800000000,  0.0000000900000000 ]  - [   0.0000346300000000, -0.0000364100000000,  0.0000000300000000 ]  - [  -0.0001039200000000,  0.0005561200000000,  0.0003531400000000 ]  - [   0.0000903100000000,  0.0001594700000000,  0.0001355600000000 ]  - [   0.0000489300000000,  0.0000578900000000, -0.0000001600000000 ]  - [   0.0000541000000000,  0.0000578800000000, -0.0000001400000000 ]  - [  -0.0024573700000000, -0.0143257200000000, -0.0000930500000000 ]  - [   0.0000618400000000, -0.0007490300000000, -0.0000305900000000 ]  - [  -0.0000140300000000, -0.0008347300000000,  0.0000234600000000 ]  - [  -0.0000167100000000, -0.0008347000000000,  0.0000329300000000 ]  - [   0.0005084700000000,  0.0009294500000000,  0.0012395700000000 ]  - [  -0.0000656700000000,  0.0000540100000000,  0.0003471000000000 ]  - [   0.0000013000000000,  0.0000115500000000,  0.0000274700000000 ]  - [   0.0000003000000000, -0.0000057500000000,  0.0000043900000000 ]  - [  -0.0000012100000000,  0.0000012800000000, -0.0000298200000000 ]  - [  -0.0000010900000000,  0.0000012600000000, -0.0000298400000000 ]  - [   0.0000022600000000,  0.0000022800000000,  0.0000320700000000 ]  - [   0.0000022700000000,  0.0000022700000000,  0.0000277000000000 ]  - [  -0.0000007600000000,  0.0000015300000000,  0.0000506800000000 ]  - [   0.0000011500000000, -0.0000016300000000,  0.0000491600000000 ]  - [   0.0000260400000000,  0.0000106800000000,  0.0003409400000000 ]  - [  -0.0000042700000000, -0.0000063000000000,  0.0002133900000000 ]  - [   0.0000011400000000, -0.0000011300000000, -0.0000293900000000 ]  - [   0.0000011000000000, -0.0000011200000000, -0.0000301900000000 ]  - [   0.0000000100000000,  0.0000083400000000,  0.0000304300000000 ]  - [  -0.0000048100000000, -0.0000022100000000,  0.0000303700000000 ]  - [  -0.0000007700000000,  0.0000016100000000,  0.0000095500000000 ]  - [   0.0000011900000000, -0.0000016300000000,  0.0000111000000000 ]  - [   0.0000262600000000,  0.0000107700000000, -0.0004004600000000 ]  - [  -0.0000043500000000, -0.0000062100000000, -0.0002730500000000 ]  - [  -0.0000007900000000,  0.0006647700000000, -0.0000068500000000 ]  - [   0.0000009600000000,  0.0006650400000000, -0.0000537200000000 ]  - [  -0.0000729700000000,  0.0007045200000000,  0.0000311100000000 ]  - [   0.0000713400000000,  0.0005998100000000,  0.0000300400000000 ]  - [   0.0005135200000000,  0.0009333000000000, -0.0011896300000000 ]  - [  -0.0000655500000000,  0.0000527200000000, -0.0002882200000000 ]  - [   0.0000012900000000,  0.0000099600000000, -0.0000868200000000 ]  - [   0.0000002400000000, -0.0000068100000000, -0.0000643100000000 ]  - [   0.0015113700000000,  0.0038139100000000, -0.0021611500000000 ]  - [  -0.0008421400000000,  0.0007663000000000, -0.0006404100000000 ]  - [   0.0017363300000000, -0.0016718500000000,  0.0000067500000000 ]  - [   0.0001338400000000, -0.0002630900000000, -0.0000005200000000 ]  - [   0.0000019200000000,  0.0000003700000000,  0.0000000900000000 ]  - [  -0.0000034000000000, -0.0000029700000000,  0.0000008900000000 ]  - [   0.0001325200000000,  0.0001547900000000,  0.0000001400000000 ]  - [   0.0001758200000000,  0.0001733000000000,  0.0000001400000000 ]  - [   0.0000016300000000,  0.0000006200000000,  0.0000003200000000 ]  - [  -0.0000029200000000, -0.0000026400000000, -0.0000006500000000 ]  - [  -0.0001578600000000, -0.0001632100000000,  0.0000014800000000 ]  - [  -0.0001575000000000, -0.0001631000000000, -0.0000012700000000 ]  - [   0.0015487100000000,  0.0038505700000000,  0.0021986500000000 ]  - [  -0.0008463800000000,  0.0007701600000000,  0.0006403000000000 ]  - [  -0.0002089300000000,  0.0002385600000000, -0.0000247100000000 ]  - [  -0.0002048800000000,  0.0002386800000000,  0.0000240200000000 ]- atom:   81  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002122700000000,  0.0012071800000000, -0.0005725700000000 ]  - [  -0.0004318900000000,  0.0005388200000000,  0.0000181200000000 ]  - [  -0.0007715700000000,  0.0002886300000000,  0.0014489600000000 ]  - [  -0.0003604400000000, -0.0006419300000000,  0.0000811300000000 ]  - [   0.0007715700000000, -0.0002886300000000,  0.0014489600000000 ]  - [   0.0003604400000000,  0.0006419300000000,  0.0000811300000000 ]  - [  -0.0002122700000000, -0.0012071800000000, -0.0005725700000000 ]  - [   0.0004318900000000, -0.0005388200000000,  0.0000181200000000 ]  - [   0.0005238200000000,  0.0013240500000000,  0.0016116600000000 ]  - [  -0.0002858900000000,  0.0005300600000000, -0.0000775000000000 ]  - [   0.0004758600000000, -0.0001674500000000,  0.0010870900000000 ]  - [   0.0003706800000000,  0.0002949600000000,  0.0005132800000000 ]  - [  -0.0005057400000000, -0.0000938100000000,  0.0008167300000000 ]  - [  -0.0003119300000000, -0.0002604300000000,  0.0003948400000000 ]  - [   0.0006293100000000, -0.0001797800000000, -0.0003781000000000 ]  - [   0.0000828300000000, -0.0004626400000000, -0.0000996800000000 ]  - [  -0.0002310800000000,  0.0005680200000000,  0.0000033500000000 ]  - [  -0.0001967300000000,  0.0005697200000000,  0.0000001400000000 ]  - [  -0.0002915500000000, -0.0003943900000000, -0.0003150600000000 ]  - [  -0.0002990500000000, -0.0003834600000000, -0.0003084100000000 ]  - [   0.0002915500000000,  0.0003943900000000, -0.0003150600000000 ]  - [   0.0002990500000000,  0.0003834600000000, -0.0003084100000000 ]  - [   0.0002310800000000, -0.0005680200000000,  0.0000033500000000 ]  - [   0.0001967300000000, -0.0005697200000000,  0.0000001400000000 ]  - [  -0.0002867700000000,  0.0004324700000000, -0.0002828800000000 ]  - [  -0.0002629000000000,  0.0004321000000000, -0.0002519700000000 ]  - [   0.0002066000000000,  0.0005785700000000, -0.0000251000000000 ]  - [   0.0002222300000000,  0.0005894600000000, -0.0000355400000000 ]  - [  -0.0002246600000000, -0.0005606900000000, -0.0000378300000000 ]  - [  -0.0002061300000000, -0.0005573900000000, -0.0000259200000000 ]  - [   0.0003048200000000, -0.0003216000000000, -0.0003774300000000 ]  - [   0.0003643100000000, -0.0003106800000000, -0.0003875900000000 ]  - [  -0.0001717000000000,  0.0005870300000000, -0.0001091300000000 ]  - [  -0.0002690000000000,  0.0005363600000000, -0.0000421900000000 ]  - [  -0.0003027400000000, -0.0003618100000000, -0.0003405500000000 ]  - [  -0.0003261200000000, -0.0003543200000000, -0.0003346800000000 ]  - [   0.0003027400000000,  0.0003618100000000, -0.0003405500000000 ]  - [   0.0003261200000000,  0.0003543200000000, -0.0003346800000000 ]  - [   0.0001717000000000, -0.0005870300000000, -0.0001091300000000 ]  - [   0.0002690000000000, -0.0005363600000000, -0.0000421900000000 ]  - [  -0.0003048200000000,  0.0003216000000000, -0.0003774300000000 ]  - [  -0.0003643100000000,  0.0003106800000000, -0.0003875900000000 ]  - [   0.0002246600000000,  0.0005606900000000, -0.0000378300000000 ]  - [   0.0002061300000000,  0.0005573900000000, -0.0000259200000000 ]  - [  -0.0002066000000000, -0.0005785700000000, -0.0000251000000000 ]  - [  -0.0002222300000000, -0.0005894600000000, -0.0000355400000000 ]  - [   0.0002867700000000, -0.0004324700000000, -0.0002828800000000 ]  - [   0.0002629000000000, -0.0004321000000000, -0.0002519700000000 ]  - [  -0.0003396100000000,  0.0002918400000000,  0.0002055200000000 ]  - [  -0.0002676300000000,  0.0003995900000000,  0.0001836400000000 ]  - [  -0.0002977800000000, -0.0003839500000000,  0.0000102500000000 ]  - [  -0.0001948500000000, -0.0005114100000000,  0.0000524300000000 ]  - [   0.0002977800000000,  0.0003839500000000,  0.0000102500000000 ]  - [   0.0001948500000000,  0.0005114100000000,  0.0000524300000000 ]  - [   0.0003396100000000, -0.0002918400000000,  0.0002055200000000 ]  - [   0.0002676300000000, -0.0003995900000000,  0.0001836400000000 ]  - [  -0.0006293100000000,  0.0001797800000000, -0.0003781000000000 ]  - [  -0.0000828300000000,  0.0004626400000000, -0.0000996800000000 ]  - [   0.0005057400000000,  0.0000938100000000,  0.0008167300000000 ]  - [   0.0003119300000000,  0.0002604300000000,  0.0003948400000000 ]  - [  -0.0004758600000000,  0.0001674500000000,  0.0010870900000000 ]  - [  -0.0003706800000000, -0.0002949600000000,  0.0005132800000000 ]  - [  -0.0005238200000000, -0.0013240500000000,  0.0016116600000000 ]  - [   0.0002858900000000, -0.0005300600000000, -0.0000775000000000 ]  - [   0.0002154500000000, -0.0003546300000000, -0.0002208700000000 ]  - [   0.0000931700000000,  0.0000972400000000, -0.0000075300000000 ]  - [   0.0001549600000000,  0.0003796600000000,  0.0001876800000000 ]  - [  -0.0001549600000000, -0.0003796600000000,  0.0001876800000000 ]  - [   0.0000132000000000, -0.0000131200000000,  0.0000605700000000 ]  - [   0.0000156600000000, -0.0000159100000000,  0.0000588300000000 ]  - [  -0.0000027100000000,  0.0000005200000000,  0.0000539200000000 ]  - [   0.0000027100000000, -0.0000005200000000,  0.0000539200000000 ]  - [  -0.0000132000000000,  0.0000131200000000,  0.0000605700000000 ]  - [  -0.0000156600000000,  0.0000159100000000,  0.0000588300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000692900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000615100000000 ]  - [  -0.0002154500000000,  0.0003546300000000, -0.0002208700000000 ]  - [  -0.0000931700000000, -0.0000972400000000, -0.0000075300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000331300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000338300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0139044000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006951000000000 ]  - [  -0.0011255800000000,  0.0000045100000000,  0.0010586700000000 ]  - [   0.0011255800000000, -0.0000045100000000,  0.0010586700000000 ]  - [   0.0005086800000000,  0.0012113400000000, -0.0000968600000000 ]  - [  -0.0001937600000000,  0.0003175600000000, -0.0004942300000000 ]  - [  -0.0000828200000000,  0.0003697300000000,  0.0002859100000000 ]  - [   0.0000811800000000,  0.0002435100000000,  0.0001122000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001881100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001847600000000 ]  - [   0.0000057400000000, -0.0000032300000000,  0.0001392700000000 ]  - [  -0.0000057400000000,  0.0000032300000000,  0.0001392700000000 ]  - [  -0.0000029600000000,  0.0000201600000000,  0.0002631500000000 ]  - [   0.0000035100000000,  0.0000195900000000,  0.0002614500000000 ]  - [   0.0000373500000000,  0.0000572100000000,  0.0002861200000000 ]  - [  -0.0000162400000000,  0.0000347500000000,  0.0001122400000000 ]  - [   0.0000021100000000,  0.0000006400000000,  0.0002173400000000 ]  - [  -0.0000021100000000, -0.0000006400000000,  0.0002173400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004398800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003225300000000 ]  - [   0.0000029600000000, -0.0000201600000000,  0.0002631500000000 ]  - [  -0.0000035100000000, -0.0000195900000000,  0.0002614500000000 ]  - [  -0.0000373500000000, -0.0000572100000000,  0.0002861200000000 ]  - [   0.0000162400000000, -0.0000347500000000,  0.0001122400000000 ]  - [  -0.0000411200000000, -0.0000233500000000, -0.0004621100000000 ]  - [   0.0000411200000000,  0.0000233500000000, -0.0004621100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001050500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001045500000000 ]  - [  -0.0005086800000000, -0.0012113400000000, -0.0000968600000000 ]  - [   0.0001937600000000, -0.0003175600000000, -0.0004942300000000 ]  - [   0.0000828200000000, -0.0003697300000000,  0.0002859100000000 ]  - [  -0.0000811800000000, -0.0002435100000000,  0.0001122000000000 ]  - [  -0.0020955100000000, -0.0026154300000000, -0.0007946800000000 ]  - [   0.0003311200000000, -0.0001411600000000,  0.0001696200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048158900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001573700000000 ]  - [  -0.0000510800000000, -0.0000473300000000,  0.0001927500000000 ]  - [  -0.0000809300000000, -0.0000731600000000,  0.0001829500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001656600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001591500000000 ]  - [   0.0000510800000000,  0.0000473300000000,  0.0001927500000000 ]  - [   0.0000809300000000,  0.0000731600000000,  0.0001829500000000 ]  - [  -0.0000579900000000, -0.0000344500000000,  0.0002157200000000 ]  - [   0.0000579900000000,  0.0000344500000000,  0.0002157200000000 ]  - [   0.0020955100000000,  0.0026154300000000, -0.0007946800000000 ]  - [  -0.0003311200000000,  0.0001411600000000,  0.0001696200000000 ]  - [   0.0001277000000000,  0.0000060300000000, -0.0001034300000000 ]  - [  -0.0001277000000000, -0.0000060300000000, -0.0001034300000000 ]- atom:   81  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0007355500000000, -0.0002703100000000,  0.0008729700000000 ]  - [  -0.0000922500000000,  0.0003996100000000,  0.0002798700000000 ]  - [   0.0002871500000000, -0.0012636300000000, -0.0018562600000000 ]  - [  -0.0001619700000000, -0.0002967400000000, -0.0003788700000000 ]  - [  -0.0002871500000000,  0.0012636300000000, -0.0018562600000000 ]  - [   0.0001619700000000,  0.0002967400000000, -0.0003788700000000 ]  - [   0.0007355500000000,  0.0002703100000000,  0.0008729700000000 ]  - [   0.0000922500000000, -0.0003996100000000,  0.0002798700000000 ]  - [  -0.0010434500000000, -0.0004390000000000, -0.0018530800000000 ]  - [  -0.0002320000000000,  0.0004034200000000, -0.0002239700000000 ]  - [   0.0000555500000000,  0.0010994200000000, -0.0007793500000000 ]  - [   0.0001406400000000,  0.0006352500000000, -0.0002093200000000 ]  - [  -0.0000120500000000, -0.0008347700000000, -0.0005098200000000 ]  - [  -0.0002070900000000, -0.0006717600000000, -0.0000928400000000 ]  - [  -0.0001096500000000, -0.0007523800000000,  0.0000752300000000 ]  - [   0.0004328800000000, -0.0004668500000000, -0.0002052000000000 ]  - [  -0.0002933000000000,  0.0003734200000000,  0.0002924700000000 ]  - [  -0.0003275700000000,  0.0003718700000000,  0.0002957500000000 ]  - [  -0.0002320300000000, -0.0005478200000000,  0.0000207900000000 ]  - [  -0.0002248500000000, -0.0005587900000000,  0.0000144700000000 ]  - [   0.0002320300000000,  0.0005478200000000,  0.0000207900000000 ]  - [   0.0002248500000000,  0.0005587900000000,  0.0000144700000000 ]  - [   0.0002933000000000, -0.0003734200000000,  0.0002924700000000 ]  - [   0.0003275700000000, -0.0003718700000000,  0.0002957500000000 ]  - [  -0.0002381900000000,  0.0005062400000000, -0.0000135900000000 ]  - [  -0.0002527200000000,  0.0004990000000000, -0.0000520000000000 ]  - [   0.0003092600000000,  0.0003523500000000,  0.0003290100000000 ]  - [   0.0003024400000000,  0.0003490100000000,  0.0003323300000000 ]  - [  -0.0003000500000000, -0.0003782500000000,  0.0003345200000000 ]  - [  -0.0003095200000000, -0.0003737000000000,  0.0003300400000000 ]  - [   0.0002110600000000, -0.0006099800000000,  0.0000739100000000 ]  - [   0.0001601600000000, -0.0006285600000000,  0.0000914800000000 ]  - [  -0.0003449400000000,  0.0003448600000000,  0.0004134200000000 ]  - [  -0.0002673900000000,  0.0004167000000000,  0.0003262900000000 ]  - [  -0.0002133600000000, -0.0005705000000000,  0.0000370500000000 ]  - [  -0.0002096500000000, -0.0005992800000000,  0.0000513700000000 ]  - [   0.0002133600000000,  0.0005705000000000,  0.0000370500000000 ]  - [   0.0002096500000000,  0.0005992800000000,  0.0000513700000000 ]  - [   0.0003449400000000, -0.0003448600000000,  0.0004134200000000 ]  - [   0.0002673900000000, -0.0004167000000000,  0.0003262900000000 ]  - [  -0.0002110600000000,  0.0006099800000000,  0.0000739100000000 ]  - [  -0.0001601600000000,  0.0006285600000000,  0.0000914800000000 ]  - [   0.0003000500000000,  0.0003782500000000,  0.0003345200000000 ]  - [   0.0003095200000000,  0.0003737000000000,  0.0003300400000000 ]  - [  -0.0003092600000000, -0.0003523500000000,  0.0003290100000000 ]  - [  -0.0003024400000000, -0.0003490100000000,  0.0003323300000000 ]  - [   0.0002381900000000, -0.0005062400000000, -0.0000135900000000 ]  - [   0.0002527200000000, -0.0004990000000000, -0.0000520000000000 ]  - [  -0.0001818500000000,  0.0006452100000000,  0.0000945000000000 ]  - [  -0.0002666500000000,  0.0005496100000000,  0.0001043000000000 ]  - [  -0.0002245200000000, -0.0005528500000000, -0.0003109600000000 ]  - [  -0.0003400800000000, -0.0004374900000000, -0.0003412500000000 ]  - [   0.0002245200000000,  0.0005528500000000, -0.0003109600000000 ]  - [   0.0003400800000000,  0.0004374900000000, -0.0003412500000000 ]  - [   0.0001818500000000, -0.0006452100000000,  0.0000945000000000 ]  - [   0.0002666500000000, -0.0005496100000000,  0.0001043000000000 ]  - [   0.0001096500000000,  0.0007523800000000,  0.0000752300000000 ]  - [  -0.0004328800000000,  0.0004668500000000, -0.0002052000000000 ]  - [   0.0000120500000000,  0.0008347700000000, -0.0005098200000000 ]  - [   0.0002070900000000,  0.0006717600000000, -0.0000928400000000 ]  - [  -0.0000555500000000, -0.0010994200000000, -0.0007793500000000 ]  - [  -0.0001406400000000, -0.0006352500000000, -0.0002093200000000 ]  - [   0.0010434500000000,  0.0004390000000000, -0.0018530800000000 ]  - [   0.0002320000000000, -0.0004034200000000, -0.0002239700000000 ]  - [  -0.0002133100000000,  0.0003537800000000,  0.0002193400000000 ]  - [  -0.0000920700000000, -0.0000967800000000,  0.0000067800000000 ]  - [  -0.0001545000000000, -0.0003795000000000, -0.0001895100000000 ]  - [   0.0001545000000000,  0.0003795000000000, -0.0001895100000000 ]  - [  -0.0000131400000000,  0.0000131400000000, -0.0000609400000000 ]  - [  -0.0000160000000000,  0.0000160500000000, -0.0000590500000000 ]  - [   0.0000023500000000, -0.0000004900000000, -0.0000539400000000 ]  - [  -0.0000023500000000,  0.0000004900000000, -0.0000539400000000 ]  - [   0.0000131400000000, -0.0000131400000000, -0.0000609400000000 ]  - [   0.0000160000000000, -0.0000160500000000, -0.0000590500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000688300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000612600000000 ]  - [   0.0002133100000000, -0.0003537800000000,  0.0002193400000000 ]  - [   0.0000920700000000,  0.0000967800000000,  0.0000067800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000330700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000339000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0140266800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006371200000000 ]  - [   0.0011151300000000, -0.0000048500000000, -0.0009930000000000 ]  - [  -0.0011151300000000,  0.0000048500000000, -0.0009930000000000 ]  - [  -0.0005112300000000, -0.0012177300000000,  0.0001591200000000 ]  - [   0.0001940400000000, -0.0003182000000000,  0.0005566300000000 ]  - [   0.0000836100000000, -0.0003712600000000, -0.0003469800000000 ]  - [  -0.0000812600000000, -0.0002437100000000, -0.0001730500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002486000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002450200000000 ]  - [  -0.0000052800000000,  0.0000022600000000, -0.0000793800000000 ]  - [   0.0000052800000000, -0.0000022600000000, -0.0000793800000000 ]  - [   0.0000026400000000, -0.0000206200000000, -0.0002032500000000 ]  - [  -0.0000038600000000, -0.0000189300000000, -0.0002013800000000 ]  - [  -0.0000372300000000, -0.0000571000000000, -0.0003471000000000 ]  - [   0.0000164800000000, -0.0000341500000000, -0.0001733400000000 ]  - [  -0.0000015900000000,  0.0000003200000000, -0.0002780600000000 ]  - [   0.0000015900000000, -0.0000003200000000, -0.0002780600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003810000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002635200000000 ]  - [  -0.0000026400000000,  0.0000206200000000, -0.0002032500000000 ]  - [   0.0000038600000000,  0.0000189300000000, -0.0002013800000000 ]  - [   0.0000372300000000,  0.0000571000000000, -0.0003471000000000 ]  - [  -0.0000164800000000,  0.0000341500000000, -0.0001733400000000 ]  - [   0.0000411200000000,  0.0000233800000000,  0.0004033800000000 ]  - [  -0.0000411200000000, -0.0000233800000000,  0.0004033800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000458800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000453300000000 ]  - [   0.0005112300000000,  0.0012177300000000,  0.0001591200000000 ]  - [  -0.0001940400000000,  0.0003182000000000,  0.0005566300000000 ]  - [  -0.0000836100000000,  0.0003712600000000, -0.0003469800000000 ]  - [   0.0000812600000000,  0.0002437100000000, -0.0001730500000000 ]  - [   0.0020873900000000,  0.0026051000000000,  0.0007861300000000 ]  - [  -0.0003361400000000,  0.0001425600000000, -0.0001739000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049072700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001554800000000 ]  - [   0.0000465100000000,  0.0000477900000000, -0.0001930000000000 ]  - [   0.0000856000000000,  0.0000735600000000, -0.0001834600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001664900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001602100000000 ]  - [  -0.0000465100000000, -0.0000477900000000, -0.0001930000000000 ]  - [  -0.0000856000000000, -0.0000735600000000, -0.0001834600000000 ]  - [   0.0000709800000000,  0.0000340800000000, -0.0002156200000000 ]  - [  -0.0000709800000000, -0.0000340800000000, -0.0002156200000000 ]  - [  -0.0020873900000000, -0.0026051000000000,  0.0007861300000000 ]  - [   0.0003361400000000, -0.0001425600000000, -0.0001739000000000 ]  - [  -0.0001201600000000, -0.0000060100000000,  0.0001038700000000 ]  - [   0.0001201600000000,  0.0000060100000000,  0.0001038700000000 ]- atom:  113  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002252100000000,  0.0004951100000000,  0.0001310100000000 ]  - [  -0.0001501300000000,  0.0006780600000000, -0.0000323600000000 ]  - [  -0.0000927500000000, -0.0007222000000000,  0.0000670400000000 ]  - [  -0.0008646300000000,  0.0001275000000000, -0.0010230800000000 ]  - [   0.0005115900000000,  0.0004066700000000, -0.0004301300000000 ]  - [  -0.0000288400000000,  0.0007213600000000,  0.0000728400000000 ]  - [   0.0003153100000000, -0.0004863100000000,  0.0001700500000000 ]  - [   0.0000477300000000, -0.0006833900000000, -0.0000509600000000 ]  - [   0.0614340300000000,  0.0391333600000000,  0.0378433200000000 ]  - [  -0.0018207800000000, -0.0003467700000000, -0.0007443600000000 ]  - [   0.0608693200000000, -0.0367809800000000,  0.0367752400000000 ]  - [  -0.0012662900000000,  0.0012650500000000, -0.0004286800000000 ]  - [   0.0614340300000000, -0.0391333600000000, -0.0378433200000000 ]  - [  -0.0018207800000000,  0.0003467700000000,  0.0007443600000000 ]  - [   0.0608693200000000,  0.0367809800000000, -0.0367752400000000 ]  - [  -0.0012662900000000, -0.0012650500000000,  0.0004286800000000 ]  - [  -0.0000927500000000,  0.0007222000000000, -0.0000670400000000 ]  - [  -0.0008646300000000, -0.0001275000000000,  0.0010230800000000 ]  - [  -0.0002252100000000, -0.0004951100000000, -0.0001310100000000 ]  - [  -0.0001501300000000, -0.0006780600000000,  0.0000323600000000 ]  - [   0.0003153100000000,  0.0004863100000000, -0.0001700500000000 ]  - [   0.0000477300000000,  0.0006833900000000,  0.0000509600000000 ]  - [   0.0005115900000000, -0.0004066700000000,  0.0004301300000000 ]  - [  -0.0000288400000000, -0.0007213600000000, -0.0000728400000000 ]  - [  -0.0002332100000000,  0.0004778300000000, -0.0001285100000000 ]  - [  -0.0002560300000000,  0.0004672900000000, -0.0001455900000000 ]  - [   0.0002854600000000,  0.0004224200000000,  0.0002029400000000 ]  - [   0.0002612700000000,  0.0004341600000000,  0.0001853000000000 ]  - [  -0.0002332100000000, -0.0004778300000000,  0.0001285100000000 ]  - [  -0.0002560300000000, -0.0004672900000000,  0.0001455900000000 ]  - [   0.0002854600000000, -0.0004224200000000, -0.0002029400000000 ]  - [   0.0002612700000000, -0.0004341600000000, -0.0001853000000000 ]  - [  -0.0000150700000000,  0.0005011000000000, -0.0001040300000000 ]  - [  -0.0005495000000000,  0.0001799000000000,  0.0004031200000000 ]  - [  -0.0002112100000000, -0.0004219000000000, -0.0001549400000000 ]  - [  -0.0004728100000000, -0.0002186100000000, -0.0003831700000000 ]  - [   0.0003744900000000,  0.0002314800000000, -0.0003565500000000 ]  - [   0.0002968000000000,  0.0004055300000000, -0.0002012600000000 ]  - [  -0.0003385000000000, -0.0010376500000000, -0.0007007800000000 ]  - [   0.0004248700000000, -0.0001807800000000,  0.0003961700000000 ]  - [  -0.0002740500000000,  0.0004253000000000, -0.0001936600000000 ]  - [  -0.0002660600000000,  0.0004330500000000, -0.0001933000000000 ]  - [   0.0002478900000000,  0.0004768700000000,  0.0001304200000000 ]  - [   0.0002339800000000,  0.0004698400000000,  0.0001434800000000 ]  - [  -0.0002740500000000, -0.0004253000000000,  0.0001936600000000 ]  - [  -0.0002660600000000, -0.0004330500000000,  0.0001933000000000 ]  - [   0.0002478900000000, -0.0004768700000000, -0.0001304200000000 ]  - [   0.0002339800000000, -0.0004698400000000, -0.0001434800000000 ]  - [  -0.0002112100000000,  0.0004219000000000,  0.0001549400000000 ]  - [  -0.0004728100000000,  0.0002186100000000,  0.0003831700000000 ]  - [  -0.0000150700000000, -0.0005011000000000,  0.0001040300000000 ]  - [  -0.0005495000000000, -0.0001799000000000, -0.0004031200000000 ]  - [  -0.0003385000000000,  0.0010376500000000,  0.0007007800000000 ]  - [   0.0004248700000000,  0.0001807800000000, -0.0003961700000000 ]  - [   0.0003744900000000, -0.0002314800000000,  0.0003565500000000 ]  - [   0.0002968000000000, -0.0004055300000000,  0.0002012600000000 ]  - [  -0.0006468500000000,  0.0000714500000000, -0.0004832300000000 ]  - [  -0.0005289300000000, -0.0004612000000000, -0.0005376000000000 ]  - [  -0.0000114800000000,  0.0013603500000000, -0.0002027600000000 ]  - [  -0.0001203100000000,  0.0008504400000000, -0.0001675600000000 ]  - [  -0.0006468500000000, -0.0000714500000000,  0.0004832300000000 ]  - [  -0.0005289300000000,  0.0004612000000000,  0.0005376000000000 ]  - [  -0.0000114800000000, -0.0013603500000000,  0.0002027600000000 ]  - [  -0.0001203100000000, -0.0008504400000000,  0.0001675600000000 ]  - [   0.0302630700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0292053200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000714600000000, -0.0000823300000000,  0.0001378000000000 ]  - [   0.0000050400000000,  0.0000266700000000, -0.0000165400000000 ]  - [   0.0000144400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000138600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000714600000000,  0.0000823300000000, -0.0001378000000000 ]  - [   0.0000050400000000, -0.0000266700000000,  0.0000165400000000 ]  - [  -0.0000166500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000098300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000713200000000,  0.0000825200000000,  0.0001380500000000 ]  - [   0.0000046000000000, -0.0000263000000000, -0.0000162000000000 ]  - [  -0.0002354400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001328400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000713200000000, -0.0000825200000000, -0.0001380500000000 ]  - [   0.0000046000000000,  0.0000263000000000,  0.0000162000000000 ]  - [  -0.0017126700000000,  0.0015331200000000, -0.0021228600000000 ]  - [   0.0017816500000000, -0.0008375400000000,  0.0002999900000000 ]  - [  -0.0017039500000000, -0.0015226800000000, -0.0020603500000000 ]  - [   0.0017722600000000,  0.0008471000000000,  0.0003673600000000 ]  - [  -0.0019681100000000,  0.0017371600000000,  0.0000335300000000 ]  - [   0.0005286900000000,  0.0001337800000000,  0.0000263300000000 ]  - [  -0.0000068700000000,  0.0001577700000000, -0.0000940500000000 ]  - [  -0.0000070900000000,  0.0001582500000000,  0.0000326300000000 ]  - [  -0.0000018600000000,  0.0000014700000000, -0.0000746500000000 ]  - [   0.0000005200000000, -0.0000032300000000, -0.0001181900000000 ]  - [  -0.0000019900000000, -0.0000010800000000, -0.0000142400000000 ]  - [   0.0000013600000000,  0.0000024100000000, -0.0000572800000000 ]  - [  -0.0000521900000000,  0.0001339300000000,  0.0000309600000000 ]  - [   0.0000564200000000,  0.0001750700000000,  0.0000312400000000 ]  - [   0.0000036300000000,  0.0002067900000000,  0.0000914000000000 ]  - [   0.0000038100000000,  0.0002076600000000, -0.0001537300000000 ]  - [  -0.0000019900000000,  0.0000010800000000,  0.0000142400000000 ]  - [   0.0000013600000000, -0.0000024100000000,  0.0000572800000000 ]  - [  -0.0000018600000000, -0.0000014700000000,  0.0000746500000000 ]  - [   0.0000005200000000,  0.0000032300000000,  0.0001181900000000 ]  - [  -0.0000068700000000, -0.0001577700000000,  0.0000940500000000 ]  - [  -0.0000070900000000, -0.0001582500000000, -0.0000326300000000 ]  - [  -0.0019681100000000, -0.0017371600000000, -0.0000335300000000 ]  - [   0.0005286900000000, -0.0001337800000000, -0.0000263300000000 ]  - [  -0.0017039500000000,  0.0015226800000000,  0.0020603500000000 ]  - [   0.0017722600000000, -0.0008471000000000, -0.0003673600000000 ]  - [  -0.0017126700000000, -0.0015331200000000,  0.0021228600000000 ]  - [   0.0017816500000000,  0.0008375400000000, -0.0002999900000000 ]  - [   0.0000036300000000, -0.0002067900000000, -0.0000914000000000 ]  - [   0.0000038100000000, -0.0002076600000000,  0.0001537300000000 ]  - [  -0.0000521900000000, -0.0001339300000000, -0.0000309600000000 ]  - [   0.0000564200000000, -0.0001750700000000, -0.0000312400000000 ]  - [  -0.3070676700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0128703900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004623500000000,  0.0002578600000000,  0.0000720600000000 ]  - [   0.0007559900000000, -0.0005445400000000,  0.0002358700000000 ]  - [  -0.0000992500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000285600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004623500000000, -0.0002578600000000, -0.0000720600000000 ]  - [   0.0007559900000000,  0.0005445400000000, -0.0002358700000000 ]  - [   0.0000786000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000509200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004692200000000, -0.0002553500000000,  0.0000722800000000 ]  - [   0.0007640700000000,  0.0005436500000000,  0.0002376600000000 ]  - [   0.0014453300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014901900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004692200000000,  0.0002553500000000, -0.0000722800000000 ]  - [   0.0007640700000000, -0.0005436500000000, -0.0002376600000000 ]- atom:  113  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003138400000000,  0.0003723100000000,  0.0002290300000000 ]  - [  -0.0003064900000000,  0.0002549800000000,  0.0003290300000000 ]  - [  -0.0003874700000000, -0.0003128400000000, -0.0000726400000000 ]  - [   0.0001244700000000, -0.0009166000000000,  0.0004148400000000 ]  - [   0.0001867400000000,  0.0004400200000000,  0.0001766700000000 ]  - [   0.0004457100000000,  0.0002472000000000, -0.0003187100000000 ]  - [   0.0002575800000000, -0.0003738100000000,  0.0002055900000000 ]  - [   0.0003926900000000, -0.0002591800000000,  0.0003112500000000 ]  - [   0.0439115400000000,  0.0604195800000000,  0.0422996000000000 ]  - [  -0.0011042200000000,  0.0020376100000000, -0.0006322100000000 ]  - [  -0.0439115400000000,  0.0604195800000000, -0.0422996000000000 ]  - [   0.0011042200000000,  0.0020376100000000,  0.0006322100000000 ]  - [  -0.0430954400000000,  0.0586289100000000,  0.0413837200000000 ]  - [   0.0006050400000000,  0.0011219900000000, -0.0003155100000000 ]  - [   0.0430954400000000,  0.0586289100000000, -0.0413837200000000 ]  - [  -0.0006050400000000,  0.0011219900000000,  0.0003155100000000 ]  - [  -0.0001365700000000,  0.0006248400000000,  0.0002207400000000 ]  - [  -0.0006454000000000,  0.0000120600000000,  0.0007174900000000 ]  - [  -0.0002115100000000, -0.0005640900000000, -0.0000663700000000 ]  - [  -0.0002133000000000, -0.0006746500000000,  0.0000268900000000 ]  - [   0.0002630600000000,  0.0005549400000000, -0.0000971200000000 ]  - [   0.0001316300000000,  0.0006791900000000,  0.0000162700000000 ]  - [   0.0003331400000000, -0.0004894000000000,  0.0004776300000000 ]  - [   0.0000778900000000, -0.0006911600000000, -0.0000261800000000 ]  - [  -0.0002854400000000,  0.0004259600000000, -0.0001852300000000 ]  - [  -0.0002765300000000,  0.0004278400000000, -0.0001761100000000 ]  - [   0.0002854400000000,  0.0004259600000000,  0.0001852300000000 ]  - [   0.0002765300000000,  0.0004278400000000,  0.0001761100000000 ]  - [  -0.0002396600000000, -0.0005114700000000,  0.0001087900000000 ]  - [  -0.0002509900000000, -0.0005070700000000,  0.0001205400000000 ]  - [   0.0002396600000000, -0.0005114700000000, -0.0001087900000000 ]  - [   0.0002509900000000, -0.0005070700000000, -0.0001205400000000 ]  - [  -0.0001867400000000,  0.0004400200000000, -0.0001766700000000 ]  - [  -0.0004457100000000,  0.0002472000000000,  0.0003187100000000 ]  - [  -0.0002575800000000, -0.0003738100000000, -0.0002055900000000 ]  - [  -0.0003926900000000, -0.0002591800000000, -0.0003112500000000 ]  - [   0.0003064900000000,  0.0002549800000000, -0.0003290300000000 ]  - [   0.0003138400000000,  0.0003723100000000, -0.0002290300000000 ]  - [  -0.0001244700000000, -0.0009166000000000, -0.0004148400000000 ]  - [   0.0003874700000000, -0.0003128400000000,  0.0000726400000000 ]  - [  -0.0002373500000000,  0.0005061200000000, -0.0001199200000000 ]  - [  -0.0002410000000000,  0.0004969600000000, -0.0001222300000000 ]  - [   0.0002410000000000,  0.0004969600000000,  0.0001222300000000 ]  - [   0.0002373500000000,  0.0005061200000000,  0.0001199200000000 ]  - [  -0.0002799300000000, -0.0004212600000000,  0.0001830900000000 ]  - [  -0.0002687400000000, -0.0004199900000000,  0.0001906000000000 ]  - [   0.0002687400000000, -0.0004199900000000, -0.0001906000000000 ]  - [   0.0002799300000000, -0.0004212600000000, -0.0001830900000000 ]  - [  -0.0002630600000000,  0.0005549400000000,  0.0000971200000000 ]  - [  -0.0001316300000000,  0.0006791900000000, -0.0000162700000000 ]  - [  -0.0003331400000000, -0.0004894000000000, -0.0004776300000000 ]  - [  -0.0000778900000000, -0.0006911600000000,  0.0000261800000000 ]  - [   0.0006454000000000,  0.0000120600000000, -0.0007174900000000 ]  - [   0.0001365700000000,  0.0006248400000000, -0.0002207400000000 ]  - [   0.0002133000000000, -0.0006746500000000, -0.0000268900000000 ]  - [   0.0002115100000000, -0.0005640900000000,  0.0000663700000000 ]  - [  -0.0002074400000000,  0.0000870800000000, -0.0003833500000000 ]  - [  -0.0006375000000000, -0.0003546000000000, -0.0004750000000000 ]  - [   0.0006375000000000, -0.0003546000000000,  0.0004750000000000 ]  - [   0.0002074400000000,  0.0000870800000000,  0.0003833500000000 ]  - [  -0.0003127200000000, -0.0008427700000000, -0.0000818800000000 ]  - [   0.0001078100000000, -0.0012973000000000, -0.0001841900000000 ]  - [  -0.0001078100000000, -0.0012973000000000,  0.0001841900000000 ]  - [   0.0003127200000000, -0.0008427700000000,  0.0000818800000000 ]  - [  -0.0000329200000000, -0.0083461300000000, -0.0058371600000000 ]  - [   0.0000329200000000, -0.0083461300000000,  0.0058371600000000 ]  - [   0.0000384400000000,  0.0000501800000000, -0.0000898300000000 ]  - [   0.0000164200000000,  0.0000139900000000, -0.0000047800000000 ]  - [   0.0000005500000000,  0.0000164100000000,  0.0000004200000000 ]  - [  -0.0000005500000000,  0.0000164100000000, -0.0000004200000000 ]  - [  -0.0000386200000000,  0.0000506400000000, -0.0000897600000000 ]  - [  -0.0000166800000000,  0.0000139100000000, -0.0000047800000000 ]  - [   0.0000000000000000, -0.0000176800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000161000000000,  0.0000000000000000 ]  - [  -0.0000384400000000,  0.0000501800000000,  0.0000898300000000 ]  - [  -0.0000164200000000,  0.0000139900000000,  0.0000047800000000 ]  - [   0.0000000000000000,  0.0001823300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001678900000000,  0.0000000000000000 ]  - [   0.0000386200000000,  0.0000506400000000,  0.0000897600000000 ]  - [   0.0000166800000000,  0.0000139100000000,  0.0000047800000000 ]  - [   0.0023442400000000,  0.0038524200000000, -0.0026564600000000 ]  - [  -0.0009460900000000,  0.0007686800000000, -0.0001738800000000 ]  - [  -0.0023442400000000,  0.0038524200000000,  0.0026564600000000 ]  - [   0.0009460900000000,  0.0007686800000000,  0.0001738800000000 ]  - [   0.0013361900000000, -0.0016716200000000,  0.0000326700000000 ]  - [  -0.0003714500000000, -0.0002631300000000,  0.0000281300000000 ]  - [   0.0000049500000000, -0.0001633400000000,  0.0000040000000000 ]  - [   0.0000048300000000, -0.0001629800000000, -0.0000643800000000 ]  - [  -0.0000003800000000,  0.0000007300000000, -0.0000776300000000 ]  - [  -0.0000004300000000, -0.0000029500000000, -0.0001036800000000 ]  - [   0.0000003800000000,  0.0000007300000000,  0.0000776300000000 ]  - [   0.0000004300000000, -0.0000029500000000,  0.0001036800000000 ]  - [  -0.0000312700000000,  0.0001542900000000,  0.0000304400000000 ]  - [   0.0000324000000000,  0.0001730300000000,  0.0000303100000000 ]  - [  -0.0000041300000000,  0.0002380500000000, -0.0000357400000000 ]  - [  -0.0000046500000000,  0.0002387000000000, -0.0000239800000000 ]  - [  -0.0000000400000000,  0.0000003900000000,  0.0000174800000000 ]  - [  -0.0000000600000000, -0.0000030700000000,  0.0000434000000000 ]  - [   0.0000000400000000,  0.0000003900000000, -0.0000174800000000 ]  - [   0.0000000600000000, -0.0000030700000000, -0.0000434000000000 ]  - [  -0.0000048300000000, -0.0001629800000000,  0.0000643800000000 ]  - [  -0.0000049500000000, -0.0001633400000000, -0.0000040000000000 ]  - [  -0.0013361900000000, -0.0016716200000000, -0.0000326700000000 ]  - [   0.0003714500000000, -0.0002631300000000, -0.0000281300000000 ]  - [   0.0023185900000000,  0.0038114600000000,  0.0025640300000000 ]  - [  -0.0009504200000000,  0.0007676600000000,  0.0001096400000000 ]  - [  -0.0023185900000000,  0.0038114600000000, -0.0025640300000000 ]  - [   0.0009504200000000,  0.0007676600000000, -0.0001096400000000 ]  - [   0.0000046500000000,  0.0002387000000000,  0.0000239800000000 ]  - [   0.0000041300000000,  0.0002380500000000,  0.0000357400000000 ]  - [   0.0000312700000000,  0.0001542900000000, -0.0000304400000000 ]  - [  -0.0000324000000000,  0.0001730300000000, -0.0000303100000000 ]  - [   0.0000000000000000, -0.2421315900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0027360900000000,  0.0000000000000000 ]  - [   0.0002563500000000, -0.0001039200000000, -0.0001627300000000 ]  - [  -0.0005427400000000,  0.0003260800000000, -0.0001371700000000 ]  - [   0.0000000000000000,  0.0000791600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000614400000000,  0.0000000000000000 ]  - [  -0.0002605000000000, -0.0001041000000000, -0.0001618100000000 ]  - [   0.0005491600000000,  0.0003275500000000, -0.0001366600000000 ]  - [  -0.0000021300000000, -0.0000693300000000,  0.0000023500000000 ]  - [   0.0000021300000000, -0.0000693300000000, -0.0000023500000000 ]  - [  -0.0002563500000000, -0.0001039200000000,  0.0001627300000000 ]  - [   0.0005427400000000,  0.0003260800000000,  0.0001371700000000 ]  - [   0.0000023600000000,  0.0008542500000000, -0.0003812300000000 ]  - [  -0.0000023600000000,  0.0008542500000000,  0.0003812300000000 ]  - [   0.0002605000000000, -0.0001041000000000,  0.0001618100000000 ]  - [  -0.0005491600000000,  0.0003275500000000,  0.0001366600000000 ]- atom:  113  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002185100000000,  0.0006325300000000, -0.0000475100000000 ]  - [  -0.0002073600000000,  0.0005926900000000, -0.0000067400000000 ]  - [  -0.0001137300000000, -0.0002333800000000, -0.0003750400000000 ]  - [  -0.0003701000000000, -0.0002357300000000, -0.0002448500000000 ]  - [   0.0002752700000000,  0.0005247000000000, -0.0001649300000000 ]  - [   0.0002030900000000,  0.0005596700000000, -0.0001183100000000 ]  - [   0.0002625300000000, -0.0004104500000000, -0.0000098000000000 ]  - [   0.0002032300000000, -0.0005990800000000,  0.0000027200000000 ]  - [   0.0431473000000000,  0.0431557600000000,  0.0592191100000000 ]  - [  -0.0016590000000000, -0.0000434800000000,  0.0013984500000000 ]  - [   0.0423575100000000, -0.0410069200000000,  0.0587225800000000 ]  - [  -0.0011800500000000,  0.0009658300000000,  0.0017058400000000 ]  - [  -0.0423575100000000,  0.0410069200000000,  0.0587225800000000 ]  - [   0.0011800500000000, -0.0009658300000000,  0.0017058400000000 ]  - [  -0.0431473000000000, -0.0431557600000000,  0.0592191100000000 ]  - [   0.0016590000000000,  0.0000434800000000,  0.0013984500000000 ]  - [  -0.0003911400000000,  0.0007187800000000, -0.0000932000000000 ]  - [  -0.0001360300000000,  0.0007145900000000,  0.0000393100000000 ]  - [  -0.0002860700000000, -0.0003166000000000, -0.0003316400000000 ]  - [  -0.0002997000000000, -0.0003565500000000, -0.0002910500000000 ]  - [   0.0002440500000000,  0.0005387700000000, -0.0002952700000000 ]  - [   0.0003010200000000,  0.0003515500000000, -0.0002811500000000 ]  - [   0.0002323400000000, -0.0004230700000000,  0.0001215400000000 ]  - [   0.0003020600000000, -0.0003902100000000,  0.0001660400000000 ]  - [  -0.0002927900000000,  0.0004027200000000, -0.0002784900000000 ]  - [  -0.0002956600000000,  0.0004017400000000, -0.0002778500000000 ]  - [   0.0002225300000000,  0.0005617900000000, -0.0000075300000000 ]  - [   0.0002213300000000,  0.0005609800000000, -0.0000052800000000 ]  - [  -0.0002225300000000, -0.0005617900000000, -0.0000075300000000 ]  - [  -0.0002213300000000, -0.0005609800000000, -0.0000052800000000 ]  - [   0.0002927900000000, -0.0004027200000000, -0.0002784900000000 ]  - [   0.0002956600000000, -0.0004017400000000, -0.0002778500000000 ]  - [  -0.0002323400000000,  0.0004230700000000,  0.0001215400000000 ]  - [  -0.0003020600000000,  0.0003902100000000,  0.0001660400000000 ]  - [  -0.0002440500000000, -0.0005387700000000, -0.0002952700000000 ]  - [  -0.0003010200000000, -0.0003515500000000, -0.0002811500000000 ]  - [   0.0002997000000000,  0.0003565500000000, -0.0002910500000000 ]  - [   0.0002860700000000,  0.0003166000000000, -0.0003316400000000 ]  - [   0.0001360300000000, -0.0007145900000000,  0.0000393100000000 ]  - [   0.0003911400000000, -0.0007187800000000, -0.0000932000000000 ]  - [  -0.0002886400000000,  0.0003976000000000, -0.0002833600000000 ]  - [  -0.0002933000000000,  0.0003957800000000, -0.0002876300000000 ]  - [   0.0002167300000000,  0.0005577600000000, -0.0000061000000000 ]  - [   0.0002198600000000,  0.0005562800000000, -0.0000026000000000 ]  - [  -0.0002198600000000, -0.0005562800000000, -0.0000026000000000 ]  - [  -0.0002167300000000, -0.0005577600000000, -0.0000061000000000 ]  - [   0.0002933000000000, -0.0003957800000000, -0.0002876300000000 ]  - [   0.0002886400000000, -0.0003976000000000, -0.0002833600000000 ]  - [  -0.0002625300000000,  0.0004104500000000, -0.0000098000000000 ]  - [  -0.0002032300000000,  0.0005990800000000,  0.0000027200000000 ]  - [  -0.0002752700000000, -0.0005247000000000, -0.0001649300000000 ]  - [  -0.0002030900000000, -0.0005596700000000, -0.0001183100000000 ]  - [   0.0003701000000000,  0.0002357300000000, -0.0002448500000000 ]  - [   0.0001137300000000,  0.0002333800000000, -0.0003750400000000 ]  - [   0.0002073600000000, -0.0005926900000000, -0.0000067400000000 ]  - [   0.0002185100000000, -0.0006325300000000, -0.0000475100000000 ]  - [  -0.0002051900000000,  0.0007082300000000,  0.0001601800000000 ]  - [   0.0001858600000000,  0.0015941600000000,  0.0005955900000000 ]  - [   0.0006892400000000, -0.0006501700000000,  0.0008862100000000 ]  - [   0.0002880700000000,  0.0002282500000000,  0.0004566600000000 ]  - [  -0.0002880700000000, -0.0002282500000000,  0.0004566600000000 ]  - [  -0.0006892400000000,  0.0006501700000000,  0.0008862100000000 ]  - [  -0.0001858600000000, -0.0015941600000000,  0.0005955900000000 ]  - [   0.0002051900000000, -0.0007082300000000,  0.0001601800000000 ]  - [  -0.0000356300000000, -0.0053544100000000, -0.0086450100000000 ]  - [   0.0000356300000000,  0.0053544100000000, -0.0086450100000000 ]  - [  -0.0000536000000000, -0.0000344700000000,  0.0000326300000000 ]  - [  -0.0000514400000000, -0.0000530200000000,  0.0000580000000000 ]  - [   0.0000001800000000,  0.0000004200000000,  0.0000483800000000 ]  - [  -0.0000001800000000, -0.0000004200000000,  0.0000483800000000 ]  - [   0.0000539300000000, -0.0000343400000000,  0.0000326600000000 ]  - [   0.0000516900000000, -0.0000534900000000,  0.0000582600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000516300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000484700000000 ]  - [  -0.0000539300000000,  0.0000343400000000,  0.0000326600000000 ]  - [  -0.0000516900000000,  0.0000534900000000,  0.0000582600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004464400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000480300000000 ]  - [   0.0000536000000000,  0.0000344700000000,  0.0000326300000000 ]  - [   0.0000514400000000,  0.0000530200000000,  0.0000580000000000 ]  - [  -0.0020346300000000, -0.0021730000000000, -0.0008197200000000 ]  - [   0.0011460500000000, -0.0006390200000000,  0.0001406600000000 ]  - [  -0.0020359100000000,  0.0021866700000000, -0.0007614200000000 ]  - [   0.0011410600000000,  0.0006411800000000,  0.0002027000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048529400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001280200000000 ]  - [  -0.0000346700000000, -0.0000018500000000,  0.0001853300000000 ]  - [   0.0000346700000000,  0.0000018500000000,  0.0001853300000000 ]  - [   0.0000025600000000,  0.0000000400000000,  0.0001629000000000 ]  - [  -0.0000000300000000,  0.0000006100000000,  0.0001528800000000 ]  - [   0.0000027100000000,  0.0000001700000000,  0.0002231400000000 ]  - [   0.0000002900000000, -0.0000006400000000,  0.0002133500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001954700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001889800000000 ]  - [   0.0000256700000000,  0.0000246600000000, -0.0001341100000000 ]  - [  -0.0000256700000000, -0.0000246600000000, -0.0001341100000000 ]  - [  -0.0000025600000000, -0.0000000400000000,  0.0001629000000000 ]  - [   0.0000000300000000, -0.0000006100000000,  0.0001528800000000 ]  - [  -0.0000027100000000, -0.0000001700000000,  0.0002231400000000 ]  - [  -0.0000002900000000,  0.0000006400000000,  0.0002133500000000 ]  - [   0.0000349400000000, -0.0000017400000000,  0.0002456200000000 ]  - [  -0.0000349400000000,  0.0000017400000000,  0.0002456200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048691200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001848300000000 ]  - [   0.0020346300000000,  0.0021730000000000, -0.0008197200000000 ]  - [  -0.0011460500000000,  0.0006390200000000,  0.0001406600000000 ]  - [   0.0020359100000000, -0.0021866700000000, -0.0007614200000000 ]  - [  -0.0011410600000000, -0.0006411800000000,  0.0002027000000000 ]  - [  -0.0000253900000000,  0.0000248800000000, -0.0000730700000000 ]  - [   0.0000253900000000, -0.0000248800000000, -0.0000730700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001352300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001288200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2356094900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033469000000000 ]  - [   0.0000637100000000, -0.0001615000000000,  0.0001986000000000 ]  - [   0.0002453200000000, -0.0001368300000000,  0.0002241400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001520200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001494600000000 ]  - [  -0.0000676100000000, -0.0001630700000000,  0.0001987700000000 ]  - [  -0.0002420800000000, -0.0001371200000000,  0.0002239000000000 ]  - [  -0.0000017200000000, -0.0000024700000000,  0.0001518300000000 ]  - [   0.0000017200000000,  0.0000024700000000,  0.0001518300000000 ]  - [   0.0000676100000000,  0.0001630700000000,  0.0001987700000000 ]  - [   0.0002420800000000,  0.0001371200000000,  0.0002239000000000 ]  - [  -0.0000007500000000,  0.0003813700000000, -0.0012374200000000 ]  - [   0.0000007500000000, -0.0003813700000000, -0.0012374200000000 ]  - [  -0.0000637100000000,  0.0001615000000000,  0.0001986000000000 ]  - [  -0.0002453200000000,  0.0001368300000000,  0.0002241400000000 ]