# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/55bf4dc9-b886-4df0-94df-cace259fe5b7/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 K9Fe2S7 / P2_13 (198) / materials id 14889](https://mdr.nims.go.jp/datasets/4ce0885b-217b-4316-88b0-f1f0b749554a)

## 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: "P2_13"  number: 198  Hall_symbol: "P 2ac 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    12.474975810000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.474975810000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.474975810000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.200829600000000,  0.299170400000000,  0.700829600000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.299170400000000,  0.700829600000000,  0.200829600000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.700829600000000,  0.200829600000000,  0.299170400000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.799170400000000,  0.799170400000000,  0.799170400000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.422019720000000,  0.946916490000000,  0.814115530000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.922019720000000,  0.553083510000000,  0.185884470000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.577980280000000,  0.446916490000000,  0.685884470000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.553083510000000,  0.185884470000000,  0.922019720000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.685884470000000,  0.577980280000000,  0.446916490000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.185884470000000,  0.922019720000000,  0.553083510000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.946916490000000,  0.814115530000000,  0.422019720000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.814115530000000,  0.422019720000000,  0.946916490000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.446916490000000,  0.685884470000000,  0.577980280000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.053083510000000,  0.314115530000000,  0.077980280000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.314115530000000,  0.077980280000000,  0.053083510000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.077980280000000,  0.053083510000000,  0.314115530000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.589185470000000,  0.939063920000000,  0.336560910000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.089185470000000,  0.560936080000000,  0.663439090000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.410814530000000,  0.439063920000000,  0.163439090000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.560936080000000,  0.663439090000000,  0.089185470000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.163439090000000,  0.410814530000000,  0.439063920000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.663439090000000,  0.089185470000000,  0.560936080000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.939063920000000,  0.336560910000000,  0.589185470000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.336560910000000,  0.589185470000000,  0.939063920000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.439063920000000,  0.163439090000000,  0.410814530000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.060936080000000,  0.836560910000000,  0.910814530000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.836560910000000,  0.910814530000000,  0.060936080000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.910814530000000,  0.060936080000000,  0.836560910000000 ]    mass: 32.065000  - symbol: K  # 29    coordinates: [  0.708664790000000,  0.823171350000000,  0.546067620000000 ]    mass: 39.098300  - symbol: K  # 30    coordinates: [  0.261955470000000,  0.761955470000000,  0.738044530000000 ]    mass: 39.098300  - symbol: K  # 31    coordinates: [  0.738044530000000,  0.261955470000000,  0.761955470000000 ]    mass: 39.098300  - symbol: K  # 32    coordinates: [  0.761955470000000,  0.738044530000000,  0.261955470000000 ]    mass: 39.098300  - symbol: K  # 33    coordinates: [  0.058730700000000,  0.058730700000000,  0.058730700000000 ]    mass: 39.098300  - symbol: K  # 34    coordinates: [  0.441269300000000,  0.941269300000000,  0.558730700000000 ]    mass: 39.098300  - symbol: K  # 35    coordinates: [  0.558730700000000,  0.441269300000000,  0.941269300000000 ]    mass: 39.098300  - symbol: K  # 36    coordinates: [  0.941269300000000,  0.558730700000000,  0.441269300000000 ]    mass: 39.098300  - symbol: K  # 37    coordinates: [  0.834908140000000,  0.999639820000000,  0.298139100000000 ]    mass: 39.098300  - symbol: K  # 38    coordinates: [  0.298139100000000,  0.834908140000000,  0.999639820000000 ]    mass: 39.098300  - symbol: K  # 39    coordinates: [  0.999639820000000,  0.298139100000000,  0.834908140000000 ]    mass: 39.098300  - symbol: K  # 40    coordinates: [  0.500360180000000,  0.701860900000000,  0.334908140000000 ]    mass: 39.098300  - symbol: K  # 41    coordinates: [  0.798139100000000,  0.665091860000000,  0.000360180000000 ]    mass: 39.098300  - symbol: K  # 42    coordinates: [  0.000360180000000,  0.798139100000000,  0.665091860000000 ]    mass: 39.098300  - symbol: K  # 43    coordinates: [  0.201860900000000,  0.165091860000000,  0.499639820000000 ]    mass: 39.098300  - symbol: K  # 44    coordinates: [  0.701860900000000,  0.334908140000000,  0.500360180000000 ]    mass: 39.098300  - symbol: K  # 45    coordinates: [  0.578719460000000,  0.921280540000000,  0.078719460000000 ]    mass: 39.098300  - symbol: K  # 46    coordinates: [  0.921280540000000,  0.078719460000000,  0.578719460000000 ]    mass: 39.098300  - symbol: K  # 47    coordinates: [  0.078719460000000,  0.578719460000000,  0.921280540000000 ]    mass: 39.098300  - symbol: K  # 48    coordinates: [  0.421280540000000,  0.421280540000000,  0.421280540000000 ]    mass: 39.098300  - symbol: K  # 49    coordinates: [  0.323171350000000,  0.953932380000000,  0.291335210000000 ]    mass: 39.098300  - symbol: K  # 50    coordinates: [  0.823171350000000,  0.546067620000000,  0.708664790000000 ]    mass: 39.098300  - symbol: K  # 51    coordinates: [  0.499639820000000,  0.201860900000000,  0.165091860000000 ]    mass: 39.098300  - symbol: K  # 52    coordinates: [  0.546067620000000,  0.708664790000000,  0.823171350000000 ]    mass: 39.098300  - symbol: K  # 53    coordinates: [  0.208664790000000,  0.676828650000000,  0.453932380000000 ]    mass: 39.098300  - symbol: K  # 54    coordinates: [  0.238044530000000,  0.238044530000000,  0.238044530000000 ]    mass: 39.098300  - symbol: K  # 55    coordinates: [  0.953932380000000,  0.291335210000000,  0.323171350000000 ]    mass: 39.098300  - symbol: K  # 56    coordinates: [  0.291335210000000,  0.323171350000000,  0.953932380000000 ]    mass: 39.098300  - symbol: K  # 57    coordinates: [  0.453932380000000,  0.208664790000000,  0.676828650000000 ]    mass: 39.098300  - symbol: K  # 58    coordinates: [  0.046067620000000,  0.791335210000000,  0.176828650000000 ]    mass: 39.098300  - symbol: K  # 59    coordinates: [  0.791335210000000,  0.176828650000000,  0.046067620000000 ]    mass: 39.098300  - symbol: K  # 60    coordinates: [  0.176828650000000,  0.046067620000000,  0.791335210000000 ]    mass: 39.098300  - symbol: K  # 61    coordinates: [  0.665091860000000,  0.000360180000000,  0.798139100000000 ]    mass: 39.098300  - symbol: K  # 62    coordinates: [  0.165091860000000,  0.499639820000000,  0.201860900000000 ]    mass: 39.098300  - symbol: K  # 63    coordinates: [  0.334908140000000,  0.500360180000000,  0.701860900000000 ]    mass: 39.098300  - symbol: K  # 64    coordinates: [  0.676828650000000,  0.453932380000000,  0.208664790000000 ]    mass: 39.098300  - symbol: Fe # 65    coordinates: [  0.099643750000000,  0.400356250000000,  0.599643750000000 ]    mass: 55.845000  - symbol: Fe # 66    coordinates: [  0.400356250000000,  0.599643750000000,  0.099643750000000 ]    mass: 55.845000  - symbol: Fe # 67    coordinates: [  0.599643750000000,  0.099643750000000,  0.400356250000000 ]    mass: 55.845000  - symbol: Fe # 68    coordinates: [  0.900356250000000,  0.900356250000000,  0.900356250000000 ]    mass: 55.845000  - symbol: Fe # 69    coordinates: [  0.422789870000000,  0.077210130000000,  0.922789870000000 ]    mass: 55.845000  - symbol: Fe # 70    coordinates: [  0.077210130000000,  0.922789870000000,  0.422789870000000 ]    mass: 55.845000  - symbol: Fe # 71    coordinates: [  0.922789870000000,  0.422789870000000,  0.077210130000000 ]    mass: 55.845000  - symbol: Fe # 72    coordinates: [  0.577210130000000,  0.577210130000000,  0.577210130000000 ]    mass: 55.845000  reciprocal_lattice: # without 2pi  - [     0.080160476078711,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.080160476078711,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.080160476078711 ] # c*unit_cell:  lattice:  - [    12.474975810000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.474975810000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.474975810000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.200829600000000,  0.299170400000000,  0.700829600000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.299170400000000,  0.700829600000000,  0.200829600000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.700829600000000,  0.200829600000000,  0.299170400000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.799170400000000,  0.799170400000000,  0.799170400000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.422019720000000,  0.946916490000000,  0.814115530000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.922019720000000,  0.553083510000000,  0.185884470000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.577980280000000,  0.446916490000000,  0.685884470000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.553083510000000,  0.185884470000000,  0.922019720000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.685884470000000,  0.577980280000000,  0.446916490000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.185884470000000,  0.922019720000000,  0.553083510000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.946916490000000,  0.814115530000000,  0.422019720000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.814115530000000,  0.422019720000000,  0.946916490000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 13    coordinates: [  0.446916490000000,  0.685884470000000,  0.577980280000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.053083510000000,  0.314115530000000,  0.077980280000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 15    coordinates: [  0.314115530000000,  0.077980280000000,  0.053083510000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.077980280000000,  0.053083510000000,  0.314115530000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 17    coordinates: [  0.589185470000000,  0.939063920000000,  0.336560910000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.089185470000000,  0.560936080000000,  0.663439090000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.410814530000000,  0.439063920000000,  0.163439090000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.560936080000000,  0.663439090000000,  0.089185470000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.163439090000000,  0.410814530000000,  0.439063920000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.663439090000000,  0.089185470000000,  0.560936080000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.939063920000000,  0.336560910000000,  0.589185470000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.336560910000000,  0.589185470000000,  0.939063920000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.439063920000000,  0.163439090000000,  0.410814530000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.060936080000000,  0.836560910000000,  0.910814530000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.836560910000000,  0.910814530000000,  0.060936080000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.910814530000000,  0.060936080000000,  0.836560910000000 ]    mass: 32.065000    reduced_to: 28  - symbol: K  # 29    coordinates: [  0.708664790000000,  0.823171350000000,  0.546067620000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.261955470000000,  0.761955470000000,  0.738044530000000 ]    mass: 39.098300    reduced_to: 30  - symbol: K  # 31    coordinates: [  0.738044530000000,  0.261955470000000,  0.761955470000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.761955470000000,  0.738044530000000,  0.261955470000000 ]    mass: 39.098300    reduced_to: 32  - symbol: K  # 33    coordinates: [  0.058730700000000,  0.058730700000000,  0.058730700000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.441269300000000,  0.941269300000000,  0.558730700000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 35    coordinates: [  0.558730700000000,  0.441269300000000,  0.941269300000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 36    coordinates: [  0.941269300000000,  0.558730700000000,  0.441269300000000 ]    mass: 39.098300    reduced_to: 36  - symbol: K  # 37    coordinates: [  0.834908140000000,  0.999639820000000,  0.298139100000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.298139100000000,  0.834908140000000,  0.999639820000000 ]    mass: 39.098300    reduced_to: 38  - symbol: K  # 39    coordinates: [  0.999639820000000,  0.298139100000000,  0.834908140000000 ]    mass: 39.098300    reduced_to: 39  - symbol: K  # 40    coordinates: [  0.500360180000000,  0.701860900000000,  0.334908140000000 ]    mass: 39.098300    reduced_to: 40  - symbol: K  # 41    coordinates: [  0.798139100000000,  0.665091860000000,  0.000360180000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.000360180000000,  0.798139100000000,  0.665091860000000 ]    mass: 39.098300    reduced_to: 42  - symbol: K  # 43    coordinates: [  0.201860900000000,  0.165091860000000,  0.499639820000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 44    coordinates: [  0.701860900000000,  0.334908140000000,  0.500360180000000 ]    mass: 39.098300    reduced_to: 44  - symbol: K  # 45    coordinates: [  0.578719460000000,  0.921280540000000,  0.078719460000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.921280540000000,  0.078719460000000,  0.578719460000000 ]    mass: 39.098300    reduced_to: 46  - symbol: K  # 47    coordinates: [  0.078719460000000,  0.578719460000000,  0.921280540000000 ]    mass: 39.098300    reduced_to: 47  - symbol: K  # 48    coordinates: [  0.421280540000000,  0.421280540000000,  0.421280540000000 ]    mass: 39.098300    reduced_to: 48  - symbol: K  # 49    coordinates: [  0.323171350000000,  0.953932380000000,  0.291335210000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.823171350000000,  0.546067620000000,  0.708664790000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 51    coordinates: [  0.499639820000000,  0.201860900000000,  0.165091860000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 52    coordinates: [  0.546067620000000,  0.708664790000000,  0.823171350000000 ]    mass: 39.098300    reduced_to: 52  - symbol: K  # 53    coordinates: [  0.208664790000000,  0.676828650000000,  0.453932380000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 54    coordinates: [  0.238044530000000,  0.238044530000000,  0.238044530000000 ]    mass: 39.098300    reduced_to: 54  - symbol: K  # 55    coordinates: [  0.953932380000000,  0.291335210000000,  0.323171350000000 ]    mass: 39.098300    reduced_to: 55  - symbol: K  # 56    coordinates: [  0.291335210000000,  0.323171350000000,  0.953932380000000 ]    mass: 39.098300    reduced_to: 56  - symbol: K  # 57    coordinates: [  0.453932380000000,  0.208664790000000,  0.676828650000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.046067620000000,  0.791335210000000,  0.176828650000000 ]    mass: 39.098300    reduced_to: 58  - symbol: K  # 59    coordinates: [  0.791335210000000,  0.176828650000000,  0.046067620000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 60    coordinates: [  0.176828650000000,  0.046067620000000,  0.791335210000000 ]    mass: 39.098300    reduced_to: 60  - symbol: K  # 61    coordinates: [  0.665091860000000,  0.000360180000000,  0.798139100000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.165091860000000,  0.499639820000000,  0.201860900000000 ]    mass: 39.098300    reduced_to: 62  - symbol: K  # 63    coordinates: [  0.334908140000000,  0.500360180000000,  0.701860900000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 64    coordinates: [  0.676828650000000,  0.453932380000000,  0.208664790000000 ]    mass: 39.098300    reduced_to: 64  - symbol: Fe # 65    coordinates: [  0.099643750000000,  0.400356250000000,  0.599643750000000 ]    mass: 55.845000    reduced_to: 65  - symbol: Fe # 66    coordinates: [  0.400356250000000,  0.599643750000000,  0.099643750000000 ]    mass: 55.845000    reduced_to: 66  - symbol: Fe # 67    coordinates: [  0.599643750000000,  0.099643750000000,  0.400356250000000 ]    mass: 55.845000    reduced_to: 67  - symbol: Fe # 68    coordinates: [  0.900356250000000,  0.900356250000000,  0.900356250000000 ]    mass: 55.845000    reduced_to: 68  - symbol: Fe # 69    coordinates: [  0.422789870000000,  0.077210130000000,  0.922789870000000 ]    mass: 55.845000    reduced_to: 69  - symbol: Fe # 70    coordinates: [  0.077210130000000,  0.922789870000000,  0.422789870000000 ]    mass: 55.845000    reduced_to: 70  - symbol: Fe # 71    coordinates: [  0.922789870000000,  0.422789870000000,  0.077210130000000 ]    mass: 55.845000    reduced_to: 71  - symbol: Fe # 72    coordinates: [  0.577210130000000,  0.577210130000000,  0.577210130000000 ]    mass: 55.845000    reduced_to: 72supercell:  lattice:  - [    12.474975810000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.474975810000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.474975810000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.200829600000000,  0.299170400000000,  0.700829600000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.299170400000000,  0.700829600000000,  0.200829600000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.700829600000000,  0.200829600000000,  0.299170400000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.799170400000000,  0.799170400000000,  0.799170400000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.422019720000000,  0.946916490000000,  0.814115530000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.922019720000000,  0.553083510000000,  0.185884470000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.577980280000000,  0.446916490000000,  0.685884470000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.553083510000000,  0.185884470000000,  0.922019720000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.685884470000000,  0.577980280000000,  0.446916490000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.185884470000000,  0.922019720000000,  0.553083510000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.946916490000000,  0.814115530000000,  0.422019720000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.814115530000000,  0.422019720000000,  0.946916490000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 13    coordinates: [  0.446916490000000,  0.685884470000000,  0.577980280000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.053083510000000,  0.314115530000000,  0.077980280000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 15    coordinates: [  0.314115530000000,  0.077980280000000,  0.053083510000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.077980280000000,  0.053083510000000,  0.314115530000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 17    coordinates: [  0.589185470000000,  0.939063920000000,  0.336560910000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.089185470000000,  0.560936080000000,  0.663439090000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.410814530000000,  0.439063920000000,  0.163439090000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.560936080000000,  0.663439090000000,  0.089185470000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.163439090000000,  0.410814530000000,  0.439063920000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.663439090000000,  0.089185470000000,  0.560936080000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.939063920000000,  0.336560910000000,  0.589185470000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.336560910000000,  0.589185470000000,  0.939063920000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.439063920000000,  0.163439090000000,  0.410814530000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.060936080000000,  0.836560910000000,  0.910814530000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.836560910000000,  0.910814530000000,  0.060936080000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.910814530000000,  0.060936080000000,  0.836560910000000 ]    mass: 32.065000    reduced_to: 28  - symbol: K  # 29    coordinates: [  0.708664790000000,  0.823171350000000,  0.546067620000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.261955470000000,  0.761955470000000,  0.738044530000000 ]    mass: 39.098300    reduced_to: 30  - symbol: K  # 31    coordinates: [  0.738044530000000,  0.261955470000000,  0.761955470000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.761955470000000,  0.738044530000000,  0.261955470000000 ]    mass: 39.098300    reduced_to: 32  - symbol: K  # 33    coordinates: [  0.058730700000000,  0.058730700000000,  0.058730700000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.441269300000000,  0.941269300000000,  0.558730700000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 35    coordinates: [  0.558730700000000,  0.441269300000000,  0.941269300000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 36    coordinates: [  0.941269300000000,  0.558730700000000,  0.441269300000000 ]    mass: 39.098300    reduced_to: 36  - symbol: K  # 37    coordinates: [  0.834908140000000,  0.999639820000000,  0.298139100000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.298139100000000,  0.834908140000000,  0.999639820000000 ]    mass: 39.098300    reduced_to: 38  - symbol: K  # 39    coordinates: [  0.999639820000000,  0.298139100000000,  0.834908140000000 ]    mass: 39.098300    reduced_to: 39  - symbol: K  # 40    coordinates: [  0.500360180000000,  0.701860900000000,  0.334908140000000 ]    mass: 39.098300    reduced_to: 40  - symbol: K  # 41    coordinates: [  0.798139100000000,  0.665091860000000,  0.000360180000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.000360180000000,  0.798139100000000,  0.665091860000000 ]    mass: 39.098300    reduced_to: 42  - symbol: K  # 43    coordinates: [  0.201860900000000,  0.165091860000000,  0.499639820000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 44    coordinates: [  0.701860900000000,  0.334908140000000,  0.500360180000000 ]    mass: 39.098300    reduced_to: 44  - symbol: K  # 45    coordinates: [  0.578719460000000,  0.921280540000000,  0.078719460000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.921280540000000,  0.078719460000000,  0.578719460000000 ]    mass: 39.098300    reduced_to: 46  - symbol: K  # 47    coordinates: [  0.078719460000000,  0.578719460000000,  0.921280540000000 ]    mass: 39.098300    reduced_to: 47  - symbol: K  # 48    coordinates: [  0.421280540000000,  0.421280540000000,  0.421280540000000 ]    mass: 39.098300    reduced_to: 48  - symbol: K  # 49    coordinates: [  0.323171350000000,  0.953932380000000,  0.291335210000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.823171350000000,  0.546067620000000,  0.708664790000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 51    coordinates: [  0.499639820000000,  0.201860900000000,  0.165091860000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 52    coordinates: [  0.546067620000000,  0.708664790000000,  0.823171350000000 ]    mass: 39.098300    reduced_to: 52  - symbol: K  # 53    coordinates: [  0.208664790000000,  0.676828650000000,  0.453932380000000 ]    mass: 39.098300    reduced_to: 53  - symbol: K  # 54    coordinates: [  0.238044530000000,  0.238044530000000,  0.238044530000000 ]    mass: 39.098300    reduced_to: 54  - symbol: K  # 55    coordinates: [  0.953932380000000,  0.291335210000000,  0.323171350000000 ]    mass: 39.098300    reduced_to: 55  - symbol: K  # 56    coordinates: [  0.291335210000000,  0.323171350000000,  0.953932380000000 ]    mass: 39.098300    reduced_to: 56  - symbol: K  # 57    coordinates: [  0.453932380000000,  0.208664790000000,  0.676828650000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.046067620000000,  0.791335210000000,  0.176828650000000 ]    mass: 39.098300    reduced_to: 58  - symbol: K  # 59    coordinates: [  0.791335210000000,  0.176828650000000,  0.046067620000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 60    coordinates: [  0.176828650000000,  0.046067620000000,  0.791335210000000 ]    mass: 39.098300    reduced_to: 60  - symbol: K  # 61    coordinates: [  0.665091860000000,  0.000360180000000,  0.798139100000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.165091860000000,  0.499639820000000,  0.201860900000000 ]    mass: 39.098300    reduced_to: 62  - symbol: K  # 63    coordinates: [  0.334908140000000,  0.500360180000000,  0.701860900000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 64    coordinates: [  0.676828650000000,  0.453932380000000,  0.208664790000000 ]    mass: 39.098300    reduced_to: 64  - symbol: Fe # 65    coordinates: [  0.099643750000000,  0.400356250000000,  0.599643750000000 ]    mass: 55.845000    reduced_to: 65  - symbol: Fe # 66    coordinates: [  0.400356250000000,  0.599643750000000,  0.099643750000000 ]    mass: 55.845000    reduced_to: 66  - symbol: Fe # 67    coordinates: [  0.599643750000000,  0.099643750000000,  0.400356250000000 ]    mass: 55.845000    reduced_to: 67  - symbol: Fe # 68    coordinates: [  0.900356250000000,  0.900356250000000,  0.900356250000000 ]    mass: 55.845000    reduced_to: 68  - symbol: Fe # 69    coordinates: [  0.422789870000000,  0.077210130000000,  0.922789870000000 ]    mass: 55.845000    reduced_to: 69  - symbol: Fe # 70    coordinates: [  0.077210130000000,  0.922789870000000,  0.422789870000000 ]    mass: 55.845000    reduced_to: 70  - symbol: Fe # 71    coordinates: [  0.922789870000000,  0.422789870000000,  0.077210130000000 ]    mass: 55.845000    reduced_to: 71  - symbol: Fe # 72    coordinates: [  0.577210130000000,  0.577210130000000,  0.577210130000000 ]    mass: 55.845000    reduced_to: 72displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0480333800000000,  0.0151406600000000, -0.0153750600000000 ]  - [   0.0000932200000000, -0.0000720100000000, -0.0001366300000000 ]  - [  -0.0002805100000000, -0.0001389300000000,  0.0001588900000000 ]  - [   0.0002927600000000,  0.0001740100000000,  0.0000712900000000 ]  - [  -0.0003075700000000, -0.0004288500000000,  0.0002880300000000 ]  - [  -0.0001573900000000, -0.0001867400000000, -0.0001217800000000 ]  - [   0.0016631900000000,  0.0015884300000000, -0.0007354000000000 ]  - [   0.0003147500000000, -0.0002243100000000,  0.0005162600000000 ]  - [   0.0000015600000000,  0.0003364600000000,  0.0002255100000000 ]  - [  -0.0002950900000000, -0.0005740600000000,  0.0001486800000000 ]  - [   0.0000001300000000,  0.0002367000000000, -0.0001518700000000 ]  - [  -0.0002510700000000, -0.0001601700000000, -0.0004065800000000 ]  - [   0.0009194300000000,  0.0004520000000000, -0.0005778700000000 ]  - [   0.0001877700000000, -0.0004827600000000,  0.0005051700000000 ]  - [   0.0000523200000000, -0.0002422600000000, -0.0000598700000000 ]  - [  -0.0001846300000000, -0.0003047700000000, -0.0002913900000000 ]  - [   0.0001903100000000, -0.0000403000000000, -0.0000054900000000 ]  - [  -0.0016270000000000, -0.0022025000000000, -0.0005572500000000 ]  - [   0.0002962400000000,  0.0004890100000000,  0.0002351900000000 ]  - [  -0.0000134000000000, -0.0001696000000000, -0.0000337300000000 ]  - [  -0.0030559400000000, -0.0004823300000000,  0.0013898800000000 ]  - [   0.0004925700000000, -0.0003309900000000, -0.0006646600000000 ]  - [   0.0003931700000000, -0.0002975000000000,  0.0004740900000000 ]  - [   0.0004069500000000,  0.0011881600000000,  0.0013960100000000 ]  - [   0.0014288800000000, -0.0006098700000000, -0.0013107900000000 ]  - [  -0.0001227300000000, -0.0001788000000000, -0.0000907600000000 ]  - [   0.0001229800000000,  0.0002663500000000, -0.0000991900000000 ]  - [   0.0000193100000000,  0.0010575000000000, -0.0001372100000000 ]  - [  -0.0000855700000000, -0.0000408100000000,  0.0000467900000000 ]  - [   0.0000053400000000, -0.0004241800000000,  0.0001272700000000 ]  - [  -0.0004094800000000, -0.0001634700000000, -0.0002941700000000 ]  - [  -0.0002461900000000,  0.0001733700000000, -0.0001315700000000 ]  - [   0.0000223300000000, -0.0000695600000000,  0.0000906700000000 ]  - [  -0.0001301900000000,  0.0003382500000000,  0.0001579000000000 ]  - [  -0.0004466500000000, -0.0002000800000000, -0.0002793400000000 ]  - [   0.0004711500000000, -0.0003307900000000,  0.0001803900000000 ]  - [   0.0000529100000000,  0.0000210800000000, -0.0000942500000000 ]  - [  -0.0000264700000000,  0.0000728100000000, -0.0000806100000000 ]  - [   0.0130266500000000, -0.0001176700000000, -0.0076394800000000 ]  - [   0.0000677100000000,  0.0001396200000000,  0.0000389500000000 ]  - [  -0.0000859900000000, -0.0000978400000000,  0.0000425600000000 ]  - [   0.0001279200000000, -0.0002161500000000, -0.0001228400000000 ]  - [   0.0004965000000000,  0.0008138000000000,  0.0012861700000000 ]  - [  -0.0004973800000000,  0.0000514900000000, -0.0000580200000000 ]  - [  -0.0002126100000000,  0.0002453300000000, -0.0002073700000000 ]  - [  -0.0002675500000000, -0.0003971600000000, -0.0004799000000000 ]  - [   0.0001597400000000,  0.0000105400000000,  0.0001270400000000 ]  - [  -0.0004047700000000, -0.0004546500000000,  0.0013743000000000 ]  - [  -0.0000232800000000,  0.0000378900000000,  0.0000644700000000 ]  - [  -0.0000884600000000,  0.0000671300000000, -0.0002463400000000 ]  - [  -0.0000739000000000,  0.0000859600000000, -0.0001294200000000 ]  - [  -0.0001003100000000, -0.0001660600000000, -0.0001302900000000 ]  - [  -0.0000176900000000, -0.0001319900000000,  0.0000269200000000 ]  - [   0.0002432400000000,  0.0002342400000000,  0.0003412700000000 ]  - [   0.0001097100000000,  0.0002105300000000, -0.0000191000000000 ]  - [   0.0006469700000000, -0.0001312600000000, -0.0010159100000000 ]  - [   0.0005833800000000,  0.0001565200000000,  0.0000321500000000 ]  - [   0.0000736500000000,  0.0001035500000000,  0.0000579000000000 ]  - [  -0.0000915200000000, -0.0000367400000000,  0.0001469800000000 ]  - [   0.0013107000000000,  0.0013516000000000, -0.0005223500000000 ]  - [  -0.0002322000000000,  0.0001052900000000, -0.0000836300000000 ]  - [  -0.0000982200000000, -0.0001911700000000,  0.0004992700000000 ]  - [   0.0036094100000000,  0.0060710800000000,  0.0003064500000000 ]  - [  -0.0000152700000000, -0.0000647700000000, -0.0000030300000000 ]  - [   0.0309461600000000, -0.0196673000000000,  0.0212687600000000 ]  - [  -0.0009389400000000, -0.0000279500000000,  0.0000281600000000 ]  - [  -0.0003322300000000,  0.0001761300000000,  0.0000273500000000 ]  - [  -0.0003148400000000, -0.0007325100000000, -0.0002491100000000 ]  - [   0.0007886200000000, -0.0006990200000000,  0.0009163200000000 ]  - [   0.0000209500000000,  0.0002032800000000, -0.0000296100000000 ]  - [   0.0001742200000000,  0.0003322900000000, -0.0006550900000000 ]  - [  -0.0003443400000000, -0.0004431600000000,  0.0006299100000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0485656600000000, -0.0158939000000000,  0.0156680400000000 ]  - [   0.0000203300000000, -0.0000183700000000,  0.0000111700000000 ]  - [   0.0000879800000000, -0.0000270800000000, -0.0000083900000000 ]  - [  -0.0002228500000000, -0.0000416400000000,  0.0000440100000000 ]  - [   0.0001345600000000,  0.0004311000000000, -0.0002894200000000 ]  - [   0.0000039000000000,  0.0005000300000000,  0.0004215700000000 ]  - [  -0.0014993000000000, -0.0018987600000000,  0.0010197500000000 ]  - [  -0.0003074200000000,  0.0002323400000000, -0.0006727000000000 ]  - [   0.0002100800000000, -0.0001345500000000, -0.0004098600000000 ]  - [   0.0005885800000000,  0.0004278500000000,  0.0001581400000000 ]  - [  -0.0002981500000000, -0.0004923000000000, -0.0000241700000000 ]  - [  -0.0002122300000000,  0.0000038000000000, -0.0001735800000000 ]  - [  -0.0010195600000000, -0.0003552200000000,  0.0007734300000000 ]  - [   0.0004577500000000, -0.0001072800000000, -0.0003631200000000 ]  - [  -0.0000642600000000,  0.0004422000000000,  0.0000706900000000 ]  - [   0.0003934200000000,  0.0006112400000000, -0.0000034300000000 ]  - [  -0.0000586300000000, -0.0000895800000000, -0.0000319300000000 ]  - [   0.0017112100000000,  0.0023129200000000,  0.0005941900000000 ]  - [  -0.0003873000000000, -0.0006278500000000, -0.0002461700000000 ]  - [   0.0001335600000000,  0.0001903300000000,  0.0001275000000000 ]  - [   0.0031298500000000,  0.0003798000000000, -0.0015445000000000 ]  - [  -0.0004508500000000,  0.0004133200000000,  0.0007879000000000 ]  - [  -0.0005096100000000,  0.0003479300000000, -0.0004148000000000 ]  - [  -0.0003947000000000, -0.0011222900000000, -0.0014677200000000 ]  - [  -0.0015502400000000,  0.0006677500000000,  0.0011890400000000 ]  - [   0.0002374900000000,  0.0002021800000000,  0.0000140900000000 ]  - [  -0.0001327100000000, -0.0003914000000000,  0.0001918600000000 ]  - [  -0.0000824700000000, -0.0009868100000000,  0.0001071200000000 ]  - [  -0.0000694900000000, -0.0000310300000000,  0.0000256200000000 ]  - [  -0.0003102000000000,  0.0000977500000000,  0.0002727700000000 ]  - [   0.0006598400000000, -0.0002268100000000, -0.0000637900000000 ]  - [  -0.0002039900000000,  0.0002346400000000, -0.0001921100000000 ]  - [  -0.0000310600000000, -0.0000391800000000, -0.0001987900000000 ]  - [   0.0002292200000000, -0.0002331800000000, -0.0001883700000000 ]  - [   0.0002847000000000,  0.0002422000000000,  0.0003158200000000 ]  - [  -0.0004368200000000,  0.0002909700000000, -0.0000277200000000 ]  - [  -0.0001646500000000, -0.0000468100000000, -0.0001381500000000 ]  - [  -0.0000370300000000,  0.0001665600000000, -0.0000265900000000 ]  - [  -0.0133979500000000, -0.0002444400000000,  0.0077859800000000 ]  - [   0.0000033300000000,  0.0000396900000000, -0.0000241200000000 ]  - [  -0.0002885200000000,  0.0003260900000000, -0.0000999500000000 ]  - [  -0.0001159800000000, -0.0000428900000000,  0.0002070000000000 ]  - [  -0.0002022900000000, -0.0007943000000000, -0.0013002500000000 ]  - [   0.0006432900000000, -0.0000374000000000,  0.0001244100000000 ]  - [  -0.0001697600000000,  0.0001185100000000, -0.0001616300000000 ]  - [   0.0003699400000000,  0.0002582000000000,  0.0003681700000000 ]  - [  -0.0001182500000000,  0.0000051400000000, -0.0001427600000000 ]  - [   0.0006343800000000,  0.0006326500000000, -0.0011649500000000 ]  - [   0.0000925200000000, -0.0000781400000000, -0.0000576600000000 ]  - [  -0.0000189300000000,  0.0000184000000000,  0.0000975600000000 ]  - [  -0.0000505500000000, -0.0000285800000000, -0.0001140100000000 ]  - [   0.0001459600000000,  0.0000659300000000,  0.0000791400000000 ]  - [  -0.0000323700000000,  0.0000895200000000, -0.0001064100000000 ]  - [   0.0001769700000000,  0.0000678200000000, -0.0000258000000000 ]  - [  -0.0001604700000000, -0.0002644500000000,  0.0002205500000000 ]  - [  -0.0003515900000000, -0.0001540400000000,  0.0009643900000000 ]  - [  -0.0004681600000000, -0.0004400200000000,  0.0002271800000000 ]  - [   0.0000485600000000,  0.0000399900000000, -0.0001111400000000 ]  - [  -0.0000002400000000, -0.0002166100000000, -0.0001277200000000 ]  - [  -0.0010257900000000, -0.0012868400000000,  0.0007784600000000 ]  - [  -0.0000370200000000,  0.0000140300000000, -0.0000022200000000 ]  - [   0.0003966200000000,  0.0002020500000000, -0.0001946400000000 ]  - [  -0.0034063800000000, -0.0058326100000000, -0.0000727600000000 ]  - [  -0.0002617000000000, -0.0000033600000000,  0.0000166300000000 ]  - [  -0.0307649500000000,  0.0195187400000000, -0.0212515700000000 ]  - [   0.0002090700000000,  0.0006604700000000,  0.0006212800000000 ]  - [   0.0010923200000000,  0.0005631700000000, -0.0007380900000000 ]  - [  -0.0003514600000000,  0.0000606800000000, -0.0004513400000000 ]  - [  -0.0007124700000000,  0.0005892400000000, -0.0008441700000000 ]  - [  -0.0001754900000000, -0.0001517800000000,  0.0001649100000000 ]  - [  -0.0002235400000000,  0.0002457100000000,  0.0008577700000000 ]  - [   0.0001163300000000,  0.0006285600000000, -0.0008296300000000 ]- atom:    5  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002971800000000, -0.0005086900000000,  0.0002556000000000 ]  - [  -0.0002052700000000,  0.0005837300000000, -0.0001625500000000 ]  - [  -0.0001650300000000, -0.0001431100000000,  0.0003367900000000 ]  - [   0.0016754400000000,  0.0005086900000000,  0.0005950100000000 ]  - [  -0.0246490100000000, -0.0063053200000000,  0.0052191100000000 ]  - [  -0.0003593500000000, -0.0000309600000000,  0.0000687900000000 ]  - [  -0.0002979500000000, -0.0001867000000000, -0.0001953400000000 ]  - [  -0.0012778700000000, -0.0000471500000000,  0.0004008300000000 ]  - [  -0.0001188800000000,  0.0000543300000000, -0.0000202600000000 ]  - [   0.0009731800000000, -0.0003692600000000,  0.0013962900000000 ]  - [   0.0000280100000000, -0.0002530300000000,  0.0002423200000000 ]  - [  -0.0001636300000000,  0.0002449300000000, -0.0002417800000000 ]  - [  -0.0006201800000000, -0.0002232800000000,  0.0003568700000000 ]  - [   0.0000668800000000, -0.0002548200000000,  0.0000667400000000 ]  - [  -0.0005521900000000, -0.0003811100000000,  0.0003568000000000 ]  - [   0.0002608900000000,  0.0000446700000000, -0.0000442100000000 ]  - [   0.0000791400000000, -0.0000058500000000, -0.0000156700000000 ]  - [   0.0004298700000000,  0.0005856600000000,  0.0000866600000000 ]  - [  -0.0001392900000000, -0.0001298100000000, -0.0000894200000000 ]  - [  -0.0002023600000000, -0.0003591000000000,  0.0005606200000000 ]  - [  -0.0000366900000000,  0.0001008000000000, -0.0000659000000000 ]  - [  -0.0002002100000000,  0.0007402800000000, -0.0019981100000000 ]  - [   0.0001794100000000, -0.0001896300000000,  0.0001168300000000 ]  - [  -0.0004615400000000,  0.0004435000000000, -0.0005490800000000 ]  - [  -0.0000745600000000,  0.0001805100000000,  0.0001549900000000 ]  - [   0.0020279300000000,  0.0001248000000000, -0.0001344500000000 ]  - [   0.0002961300000000, -0.0000501800000000,  0.0001659800000000 ]  - [   0.0010733600000000, -0.0004643100000000,  0.0001099400000000 ]  - [  -0.0004707500000000,  0.0002473900000000,  0.0006077100000000 ]  - [   0.0025287800000000,  0.0023044900000000,  0.0011162100000000 ]  - [   0.0000903100000000, -0.0005489500000000, -0.0002286100000000 ]  - [  -0.0002210900000000,  0.0001989700000000, -0.0002156600000000 ]  - [  -0.0002083000000000,  0.0000568900000000,  0.0001463100000000 ]  - [   0.0007965400000000,  0.0000475600000000, -0.0005865700000000 ]  - [  -0.0000606500000000, -0.0000900200000000, -0.0000497300000000 ]  - [   0.0000195300000000,  0.0000783300000000,  0.0000290000000000 ]  - [   0.0000084100000000, -0.0001356600000000, -0.0000414000000000 ]  - [   0.0027611000000000,  0.0014751300000000, -0.0032912900000000 ]  - [  -0.0002630100000000, -0.0000339100000000,  0.0000277800000000 ]  - [   0.0000187200000000,  0.0000631100000000,  0.0000439300000000 ]  - [  -0.0002562400000000, -0.0000396500000000,  0.0000401200000000 ]  - [  -0.0002853900000000, -0.0001021000000000, -0.0002490700000000 ]  - [  -0.0000582800000000,  0.0000742400000000, -0.0002607400000000 ]  - [   0.0001123600000000, -0.0000506300000000,  0.0001251800000000 ]  - [  -0.0000493500000000,  0.0002216400000000, -0.0014570800000000 ]  - [  -0.0000704500000000, -0.0001466900000000, -0.0001249700000000 ]  - [  -0.0002473200000000, -0.0001908300000000,  0.0001246300000000 ]  - [   0.0001405000000000,  0.0000934500000000,  0.0001622600000000 ]  - [  -0.0000088800000000,  0.0000468500000000,  0.0003345700000000 ]  - [  -0.0000634000000000,  0.0000469300000000,  0.0000440000000000 ]  - [  -0.0001919700000000, -0.0000685100000000, -0.0002702500000000 ]  - [   0.0015627100000000, -0.0006093000000000, -0.0000396900000000 ]  - [  -0.0000756500000000,  0.0000055300000000, -0.0001458700000000 ]  - [   0.0001536800000000,  0.0002025900000000,  0.0003391600000000 ]  - [  -0.0000748400000000,  0.0000615800000000, -0.0000945500000000 ]  - [   0.0000871400000000,  0.0003506600000000, -0.0001403600000000 ]  - [   0.0008469000000000, -0.0003768500000000,  0.0003383100000000 ]  - [  -0.0001542200000000, -0.0000593900000000,  0.0001428900000000 ]  - [  -0.0001688400000000, -0.0001176400000000, -0.0001319900000000 ]  - [   0.0029591100000000, -0.0007218200000000,  0.0001002200000000 ]  - [   0.0089958300000000,  0.0030715800000000, -0.0005012600000000 ]  - [  -0.0000405300000000,  0.0000009900000000,  0.0000747400000000 ]  - [   0.0002308600000000, -0.0001512400000000,  0.0001157700000000 ]  - [   0.0000226900000000, -0.0000029700000000, -0.0000792800000000 ]  - [   0.0003577400000000, -0.0004034100000000,  0.0001501900000000 ]  - [   0.0001170700000000,  0.0005140500000000,  0.0001340700000000 ]  - [   0.0010361200000000,  0.0004694100000000, -0.0000803000000000 ]  - [  -0.0008337400000000, -0.0007289100000000, -0.0010330000000000 ]  - [   0.0033180100000000,  0.0009100300000000, -0.0014095100000000 ]  - [  -0.0005179500000000,  0.0004003700000000, -0.0005661600000000 ]  - [   0.0004368900000000, -0.0000466200000000,  0.0002007200000000 ]  - [   0.0004508100000000, -0.0000262300000000, -0.0003738400000000 ]- atom:    5  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001442100000000,  0.0006731700000000, -0.0004153600000000 ]  - [   0.0003660200000000, -0.0007499100000000,  0.0000004700000000 ]  - [  -0.0000186700000000, -0.0000164000000000, -0.0001547000000000 ]  - [  -0.0014985300000000, -0.0003333200000000, -0.0004078400000000 ]  - [   0.0242392300000000,  0.0066191500000000, -0.0050108200000000 ]  - [   0.0001879900000000,  0.0001698600000000,  0.0000504900000000 ]  - [   0.0004879200000000, -0.0000036800000000,  0.0003679600000000 ]  - [   0.0012848600000000,  0.0001685100000000, -0.0005707500000000 ]  - [   0.0002307600000000,  0.0001154700000000, -0.0000582400000000 ]  - [  -0.0008606100000000,  0.0001820500000000, -0.0012753400000000 ]  - [  -0.0000979600000000,  0.0001346600000000, -0.0004312900000000 ]  - [   0.0000249200000000, -0.0004050300000000,  0.0000690300000000 ]  - [   0.0005336900000000,  0.0003077000000000, -0.0001815500000000 ]  - [   0.0000767000000000,  0.0001265800000000,  0.0000968500000000 ]  - [   0.0005091900000000,  0.0006093500000000, -0.0003742600000000 ]  - [  -0.0000972700000000,  0.0000642100000000, -0.0000469400000000 ]  - [   0.0000183900000000, -0.0000955800000000, -0.0000046400000000 ]  - [  -0.0003270800000000, -0.0005144500000000, -0.0000682400000000 ]  - [   0.0000319100000000,  0.0000423800000000,  0.0001025900000000 ]  - [   0.0002907300000000,  0.0003786300000000, -0.0004498300000000 ]  - [   0.0000528600000000, -0.0002093700000000, -0.0000114000000000 ]  - [   0.0002194300000000, -0.0006328800000000,  0.0020685500000000 ]  - [  -0.0002738400000000,  0.0001682100000000, -0.0000225000000000 ]  - [   0.0004317500000000, -0.0003599800000000,  0.0004569000000000 ]  - [  -0.0000052000000000, -0.0001553600000000, -0.0002604600000000 ]  - [  -0.0019629000000000, -0.0001440900000000,  0.0000289700000000 ]  - [  -0.0003313400000000, -0.0000615000000000, -0.0000902500000000 ]  - [  -0.0011709800000000,  0.0005302300000000, -0.0001334700000000 ]  - [   0.0003583400000000, -0.0003605100000000, -0.0005410900000000 ]  - [  -0.0029106400000000, -0.0026963600000000, -0.0008198400000000 ]  - [   0.0002042100000000,  0.0002185000000000, -0.0000828900000000 ]  - [  -0.0001093600000000,  0.0001346800000000, -0.0001115200000000 ]  - [   0.0002414100000000, -0.0000490200000000, -0.0001358600000000 ]  - [  -0.0008256800000000, -0.0000411300000000,  0.0006411000000000 ]  - [   0.0000508800000000,  0.0000766000000000,  0.0000400000000000 ]  - [  -0.0000104400000000, -0.0000836700000000, -0.0000141300000000 ]  - [   0.0001718000000000,  0.0000237600000000, -0.0001360900000000 ]  - [  -0.0029248400000000, -0.0013127500000000,  0.0032546900000000 ]  - [   0.0001757500000000, -0.0001583800000000,  0.0001094900000000 ]  - [   0.0000809400000000,  0.0001218700000000,  0.0000827200000000 ]  - [   0.0000529300000000, -0.0001182400000000,  0.0000639300000000 ]  - [   0.0004093700000000, -0.0000762000000000,  0.0000660800000000 ]  - [   0.0002372300000000, -0.0002389900000000,  0.0001627100000000 ]  - [   0.0000689700000000,  0.0002012300000000, -0.0000087300000000 ]  - [  -0.0002592200000000,  0.0000845700000000,  0.0011476000000000 ]  - [   0.0003418400000000, -0.0001206300000000, -0.0001407700000000 ]  - [   0.0000122600000000, -0.0000553500000000,  0.0001149600000000 ]  - [   0.0001098500000000,  0.0001531700000000,  0.0000875100000000 ]  - [  -0.0001325000000000, -0.0001078700000000, -0.0002228300000000 ]  - [  -0.0000511400000000,  0.0000039000000000, -0.0001504200000000 ]  - [   0.0000605700000000,  0.0002243800000000,  0.0000233500000000 ]  - [  -0.0014998600000000,  0.0004756200000000, -0.0000528100000000 ]  - [  -0.0000567100000000,  0.0001284800000000,  0.0000787900000000 ]  - [   0.0001808500000000,  0.0001080300000000, -0.0000236700000000 ]  - [   0.0000188600000000,  0.0000385200000000,  0.0000038800000000 ]  - [   0.0000824500000000, -0.0005565600000000,  0.0000734800000000 ]  - [  -0.0009101000000000,  0.0002289500000000, -0.0001297500000000 ]  - [   0.0002267300000000,  0.0001819100000000,  0.0000027000000000 ]  - [   0.0002513900000000,  0.0002185500000000,  0.0001840400000000 ]  - [  -0.0029369500000000,  0.0008700200000000,  0.0000383200000000 ]  - [  -0.0087992800000000, -0.0028130900000000,  0.0003135300000000 ]  - [  -0.0000854300000000, -0.0000922100000000,  0.0001189200000000 ]  - [  -0.0000894500000000,  0.0002352100000000,  0.0000795800000000 ]  - [   0.0000710500000000, -0.0000599600000000, -0.0000336500000000 ]  - [   0.0003911900000000, -0.0003309800000000,  0.0006117400000000 ]  - [  -0.0008419300000000,  0.0002326400000000,  0.0006176500000000 ]  - [  -0.0002725800000000,  0.0002820500000000, -0.0006399800000000 ]  - [   0.0001127100000000, -0.0000107300000000,  0.0002694800000000 ]  - [  -0.0031646100000000, -0.0014738700000000,  0.0012609600000000 ]  - [   0.0004027500000000, -0.0003009800000000,  0.0006363900000000 ]  - [  -0.0003226300000000,  0.0001309100000000, -0.0002643300000000 ]  - [  -0.0005971800000000,  0.0000753500000000,  0.0001508600000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004749200000000,  0.0003053900000000,  0.0000299200000000 ]  - [  -0.0003300700000000,  0.0009663500000000, -0.0003331500000000 ]  - [   0.0000308000000000, -0.0001359400000000, -0.0001927200000000 ]  - [  -0.0015392100000000,  0.0001604300000000,  0.0002506700000000 ]  - [  -0.0065575100000000, -0.0722004100000000, -0.0481419100000000 ]  - [   0.0000178700000000,  0.0002541200000000,  0.0001611500000000 ]  - [   0.0001502600000000, -0.0000340700000000,  0.0007514100000000 ]  - [   0.0026212500000000,  0.0017221700000000, -0.0004695700000000 ]  - [   0.0003326500000000,  0.0000844300000000, -0.0005961100000000 ]  - [   0.0005722000000000, -0.0006443200000000,  0.0007749300000000 ]  - [   0.0003307400000000,  0.0002215600000000, -0.0002984300000000 ]  - [  -0.0003921300000000,  0.0000220800000000, -0.0002886100000000 ]  - [  -0.0014454300000000,  0.0019490500000000,  0.0013832700000000 ]  - [   0.0004523000000000, -0.0002210200000000,  0.0000008200000000 ]  - [  -0.0026112300000000, -0.0011771300000000,  0.0026518600000000 ]  - [   0.0000857400000000,  0.0001175100000000, -0.0003379100000000 ]  - [  -0.0002398700000000, -0.0001498300000000,  0.0000660500000000 ]  - [   0.0006129300000000,  0.0008837400000000,  0.0000257500000000 ]  - [   0.0000154400000000, -0.0006879200000000,  0.0002429400000000 ]  - [   0.0003477200000000,  0.0008157900000000, -0.0010357700000000 ]  - [  -0.0001434400000000,  0.0003489700000000, -0.0002748900000000 ]  - [  -0.0005062400000000, -0.0004638900000000,  0.0003784000000000 ]  - [  -0.0000420200000000, -0.0002720400000000, -0.0000694500000000 ]  - [   0.0002574900000000,  0.0021167600000000, -0.0020190900000000 ]  - [  -0.0001874700000000, -0.0002759800000000,  0.0000283100000000 ]  - [   0.0024828900000000, -0.0003153000000000, -0.0003553700000000 ]  - [  -0.0006298400000000, -0.0003378300000000,  0.0000275000000000 ]  - [  -0.0000595600000000,  0.0001763600000000, -0.0002585900000000 ]  - [   0.0005364600000000,  0.0001495800000000, -0.0003713500000000 ]  - [   0.0011872400000000,  0.0023709500000000,  0.0005288000000000 ]  - [   0.0002044500000000, -0.0001978000000000, -0.0000519700000000 ]  - [  -0.0000138300000000,  0.0002959300000000, -0.0000622300000000 ]  - [  -0.0001037000000000,  0.0000099600000000,  0.0002052100000000 ]  - [   0.0000769700000000,  0.0005513300000000, -0.0015351500000000 ]  - [  -0.0001183600000000, -0.0002674600000000,  0.0000183700000000 ]  - [   0.0001478900000000,  0.0000942700000000,  0.0000969800000000 ]  - [   0.0006205800000000, -0.0002634100000000,  0.0000625300000000 ]  - [   0.0015092500000000,  0.0014374800000000, -0.0017341800000000 ]  - [   0.0000181400000000, -0.0001770200000000, -0.0001996100000000 ]  - [  -0.0000571900000000,  0.0002721700000000, -0.0001997800000000 ]  - [  -0.0000199600000000,  0.0000497400000000,  0.0001097000000000 ]  - [  -0.0000256100000000,  0.0001219800000000, -0.0005630200000000 ]  - [  -0.0000160900000000, -0.0005698900000000,  0.0002019000000000 ]  - [   0.0002700600000000, -0.0001044700000000,  0.0000279700000000 ]  - [   0.0009108900000000,  0.0006842200000000,  0.0013481300000000 ]  - [   0.0004864100000000, -0.0004347300000000, -0.0004507200000000 ]  - [  -0.0001531300000000, -0.0000710300000000, -0.0000072600000000 ]  - [  -0.0001084000000000, -0.0002074600000000, -0.0000744900000000 ]  - [  -0.0005715100000000, -0.0000752400000000,  0.0005065800000000 ]  - [   0.0002238200000000, -0.0000211500000000, -0.0000243400000000 ]  - [   0.0002052800000000,  0.0003117700000000,  0.0006680400000000 ]  - [   0.0002465600000000,  0.0005968600000000, -0.0000465100000000 ]  - [  -0.0004703600000000,  0.0004750300000000, -0.0001969500000000 ]  - [   0.0000670700000000,  0.0001279400000000,  0.0002902100000000 ]  - [   0.0000558200000000, -0.0001342400000000,  0.0001759600000000 ]  - [   0.0000562300000000, -0.0000515200000000, -0.0002780000000000 ]  - [  -0.0002076300000000, -0.0001763800000000,  0.0005534800000000 ]  - [  -0.0001152700000000,  0.0002755300000000,  0.0007007100000000 ]  - [   0.0000535700000000, -0.0002888500000000,  0.0000285200000000 ]  - [  -0.0025628700000000,  0.0021807600000000, -0.0003205800000000 ]  - [   0.0034332100000000,  0.0016280400000000,  0.0000421500000000 ]  - [   0.0000129500000000,  0.0000348700000000,  0.0002548800000000 ]  - [  -0.0002256200000000, -0.0004594900000000,  0.0001276400000000 ]  - [  -0.0000750900000000, -0.0000250000000000,  0.0000966200000000 ]  - [   0.0004995200000000, -0.0006656400000000,  0.0005747600000000 ]  - [  -0.0003511300000000,  0.0000602000000000,  0.0011858900000000 ]  - [   0.0007940100000000,  0.0009310800000000, -0.0008192000000000 ]  - [  -0.0005155500000000,  0.0002344600000000,  0.0001412100000000 ]  - [   0.0007027000000000,  0.0586626400000000,  0.0459661100000000 ]  - [  -0.0001797400000000, -0.0001723900000000,  0.0006525100000000 ]  - [  -0.0000726200000000, -0.0000795800000000,  0.0001022600000000 ]  - [   0.0004932600000000, -0.0003430600000000,  0.0001667700000000 ]- atom:    5  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003325200000000, -0.0002023900000000, -0.0001906200000000 ]  - [   0.0004373200000000, -0.0010994700000000,  0.0002086500000000 ]  - [  -0.0002268100000000, -0.0000968600000000,  0.0004019300000000 ]  - [   0.0017778400000000,  0.0000611300000000, -0.0000379600000000 ]  - [   0.0064065100000000,  0.0705299000000000,  0.0458459000000000 ]  - [  -0.0001870900000000,  0.0000714400000000,  0.0001143800000000 ]  - [  -0.0000064300000000, -0.0004430600000000, -0.0003500100000000 ]  - [  -0.0026171200000000, -0.0016377400000000,  0.0002946000000000 ]  - [   0.0000721800000000,  0.0000712600000000,  0.0001639700000000 ]  - [  -0.0008404400000000,  0.0004348700000000, -0.0011505400000000 ]  - [   0.0000367600000000,  0.0000259900000000,  0.0000805600000000 ]  - [   0.0001052500000000, -0.0001661500000000,  0.0000379200000000 ]  - [   0.0011655600000000, -0.0016946700000000, -0.0012359700000000 ]  - [  -0.0001236800000000, -0.0000220400000000,  0.0001618600000000 ]  - [   0.0024914900000000,  0.0013544700000000, -0.0025962700000000 ]  - [   0.0001196300000000, -0.0003709800000000,  0.0005499300000000 ]  - [   0.0003686400000000,  0.0000790000000000, -0.0001418100000000 ]  - [  -0.0005352000000000, -0.0007948400000000, -0.0000464800000000 ]  - [  -0.0000967200000000,  0.0006424900000000, -0.0002655400000000 ]  - [  -0.0002779800000000, -0.0008489900000000,  0.0011379700000000 ]  - [   0.0001735100000000, -0.0004284800000000,  0.0001976900000000 ]  - [   0.0005357200000000,  0.0006142000000000, -0.0002904400000000 ]  - [  -0.0000644700000000,  0.0002497800000000,  0.0001922600000000 ]  - [  -0.0002560500000000, -0.0020534900000000,  0.0019894700000000 ]  - [   0.0001285900000000,  0.0003158500000000, -0.0000991500000000 ]  - [  -0.0024281700000000,  0.0002567000000000,  0.0002393300000000 ]  - [   0.0005988800000000,  0.0002287600000000,  0.0000242600000000 ]  - [  -0.0000698500000000, -0.0000892200000000,  0.0002047800000000 ]  - [  -0.0004212000000000,  0.0000109600000000,  0.0003869900000000 ]  - [  -0.0017347800000000, -0.0027314700000000, -0.0002595100000000 ]  - [   0.0001385000000000, -0.0002048000000000, -0.0002813600000000 ]  - [  -0.0002503300000000,  0.0001345500000000, -0.0002352000000000 ]  - [   0.0001388800000000, -0.0000736600000000, -0.0001010600000000 ]  - [  -0.0002104500000000, -0.0005016000000000,  0.0015645100000000 ]  - [   0.0000367600000000,  0.0002841300000000,  0.0000473100000000 ]  - [  -0.0000092900000000, -0.0000575600000000, -0.0000257200000000 ]  - [  -0.0000633900000000,  0.0000346600000000, -0.0000472700000000 ]  - [  -0.0017169700000000, -0.0012760100000000,  0.0017115000000000 ]  - [  -0.0000279200000000, -0.0000883300000000,  0.0001144000000000 ]  - [   0.0000706100000000,  0.0000550600000000,  0.0000736200000000 ]  - [  -0.0002450500000000, -0.0000136700000000, -0.0000554600000000 ]  - [   0.0002556900000000, -0.0001093200000000,  0.0000455500000000 ]  - [  -0.0000292000000000,  0.0001037000000000, -0.0003876300000000 ]  - [   0.0000688500000000,  0.0000120000000000,  0.0000226700000000 ]  - [  -0.0012000900000000, -0.0003977300000000, -0.0016370300000000 ]  - [   0.0001040500000000, -0.0001214300000000, -0.0001136400000000 ]  - [   0.0000457800000000, -0.0000269000000000,  0.0001107800000000 ]  - [   0.0001249200000000,  0.0002418100000000,  0.0001212000000000 ]  - [   0.0000216800000000, -0.0000199200000000, -0.0001854700000000 ]  - [  -0.0000398400000000,  0.0000767900000000,  0.0000050800000000 ]  - [  -0.0003281900000000, -0.0001374700000000, -0.0008697900000000 ]  - [  -0.0001263800000000, -0.0007009200000000,  0.0002458500000000 ]  - [   0.0000544200000000,  0.0000377700000000,  0.0000794800000000 ]  - [   0.0002187700000000,  0.0001094000000000,  0.0001091000000000 ]  - [  -0.0000375200000000,  0.0000828000000000, -0.0000696600000000 ]  - [   0.0001244600000000, -0.0001307500000000,  0.0001839500000000 ]  - [   0.0000913700000000,  0.0000534400000000, -0.0003840800000000 ]  - [   0.0002354200000000,  0.0000949000000000, -0.0001680500000000 ]  - [  -0.0000294900000000,  0.0002086100000000,  0.0000238100000000 ]  - [   0.0026854800000000, -0.0021201800000000,  0.0003949500000000 ]  - [  -0.0035947800000000, -0.0015407200000000, -0.0001802000000000 ]  - [   0.0000170700000000, -0.0000612500000000,  0.0000486300000000 ]  - [   0.0000622800000000,  0.0004265000000000,  0.0001971400000000 ]  - [   0.0000081600000000, -0.0000372100000000, -0.0001578900000000 ]  - [   0.0002492800000000, -0.0000266800000000,  0.0001491400000000 ]  - [  -0.0003425200000000,  0.0006365700000000, -0.0004752200000000 ]  - [  -0.0000780400000000, -0.0001567400000000,  0.0000609600000000 ]  - [  -0.0002350700000000, -0.0009976600000000, -0.0008323800000000 ]  - [  -0.0004658100000000, -0.0568162500000000, -0.0436686200000000 ]  - [   0.0001097600000000,  0.0001513900000000, -0.0004206600000000 ]  - [   0.0001731800000000,  0.0001145800000000, -0.0002590800000000 ]  - [  -0.0008694600000000,  0.0004911700000000, -0.0003223400000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002325600000000, -0.0001823500000000,  0.0000077000000000 ]  - [   0.0003235200000000, -0.0004581400000000, -0.0002596000000000 ]  - [   0.0000324600000000,  0.0001600600000000,  0.0000071900000000 ]  - [  -0.0007720400000000,  0.0004236600000000, -0.0002677500000000 ]  - [   0.0051074900000000, -0.0478704300000000, -0.0585608400000000 ]  - [  -0.0000855100000000,  0.0000314800000000,  0.0001518200000000 ]  - [  -0.0001823400000000, -0.0004637600000000,  0.0002505700000000 ]  - [   0.0026776200000000,  0.0010282300000000, -0.0006430500000000 ]  - [   0.0000996900000000,  0.0002892700000000, -0.0000973100000000 ]  - [   0.0023941900000000,  0.0002255200000000,  0.0017668200000000 ]  - [  -0.0002211400000000, -0.0001077200000000, -0.0001823800000000 ]  - [  -0.0001517800000000, -0.0002679000000000, -0.0002006700000000 ]  - [  -0.0009456500000000,  0.0024071700000000,  0.0010006900000000 ]  - [   0.0000913400000000, -0.0001356800000000, -0.0001226100000000 ]  - [  -0.0010065900000000,  0.0000080700000000,  0.0017463200000000 ]  - [   0.0000643000000000,  0.0007001600000000, -0.0002724000000000 ]  - [  -0.0003510400000000, -0.0006137900000000,  0.0007177300000000 ]  - [   0.0003046500000000,  0.0003023400000000,  0.0001148900000000 ]  - [  -0.0000914300000000, -0.0003504500000000,  0.0004652500000000 ]  - [  -0.0001847100000000, -0.0000217600000000,  0.0000104000000000 ]  - [  -0.0000018000000000,  0.0000175600000000, -0.0001937300000000 ]  - [  -0.0009887800000000, -0.0008612000000000,  0.0020409100000000 ]  - [  -0.0002455700000000, -0.0000888700000000, -0.0000132400000000 ]  - [   0.0000821700000000,  0.0006181200000000, -0.0002224500000000 ]  - [  -0.0004281600000000, -0.0002946800000000,  0.0007904500000000 ]  - [   0.0001871600000000,  0.0004628000000000, -0.0005422300000000 ]  - [  -0.0001991000000000, -0.0001623200000000,  0.0002833900000000 ]  - [   0.0000455700000000,  0.0003491300000000, -0.0004892800000000 ]  - [   0.0005990100000000, -0.0004092800000000, -0.0004903100000000 ]  - [  -0.0000220300000000, -0.0000824000000000,  0.0009309700000000 ]  - [   0.0002689400000000,  0.0000010600000000, -0.0000107800000000 ]  - [  -0.0001508700000000,  0.0001982300000000, -0.0002326100000000 ]  - [  -0.0000549800000000, -0.0000595200000000, -0.0000132200000000 ]  - [  -0.0003493800000000,  0.0005392600000000,  0.0051113700000000 ]  - [  -0.0000392200000000,  0.0001441700000000, -0.0000705300000000 ]  - [  -0.0000205500000000, -0.0000343500000000,  0.0000111600000000 ]  - [   0.0002189800000000, -0.0001129000000000, -0.0001239800000000 ]  - [  -0.0042566700000000, -0.0029982200000000,  0.0069145000000000 ]  - [  -0.0000188900000000, -0.0000597800000000,  0.0000562900000000 ]  - [   0.0001505800000000, -0.0000541700000000, -0.0000669900000000 ]  - [  -0.0001205500000000,  0.0000329300000000,  0.0001316300000000 ]  - [  -0.0000173800000000, -0.0001245800000000, -0.0000628400000000 ]  - [  -0.0002119500000000,  0.0001067200000000, -0.0003431200000000 ]  - [   0.0000773200000000,  0.0001547400000000,  0.0000299200000000 ]  - [  -0.0005812700000000, -0.0000896200000000, -0.0004759700000000 ]  - [   0.0001671500000000, -0.0000985500000000, -0.0001377200000000 ]  - [  -0.0000863000000000, -0.0001020400000000,  0.0001497500000000 ]  - [   0.0001254900000000,  0.0001186700000000,  0.0000693700000000 ]  - [  -0.0002075800000000, -0.0000672900000000, -0.0003256400000000 ]  - [  -0.0001397800000000,  0.0000341700000000, -0.0001107100000000 ]  - [   0.0000519600000000,  0.0000737800000000,  0.0001403400000000 ]  - [   0.0005803600000000, -0.0015119300000000,  0.0010325600000000 ]  - [  -0.0001402600000000,  0.0000058300000000, -0.0001260300000000 ]  - [   0.0002402400000000,  0.0000639100000000,  0.0000133300000000 ]  - [   0.0000072300000000, -0.0000165200000000, -0.0000268400000000 ]  - [  -0.0003636700000000,  0.0003196300000000, -0.0000467900000000 ]  - [   0.0001113600000000,  0.0020780300000000, -0.0002003000000000 ]  - [   0.0001265900000000,  0.0001668300000000, -0.0000282600000000 ]  - [   0.0002335200000000,  0.0000821700000000,  0.0001119100000000 ]  - [  -0.0012272400000000,  0.0005945400000000,  0.0008770700000000 ]  - [   0.0008409000000000,  0.0001391000000000,  0.0004551400000000 ]  - [  -0.0000525500000000, -0.0000003300000000,  0.0001105900000000 ]  - [   0.0000395300000000, -0.0000097900000000,  0.0000642600000000 ]  - [   0.0000321100000000,  0.0000236200000000,  0.0000029500000000 ]  - [   0.0003143400000000, -0.0003814800000000,  0.0003592900000000 ]  - [  -0.0003238800000000, -0.0002442500000000,  0.0006681200000000 ]  - [   0.0001811200000000,  0.0005530000000000, -0.0014261700000000 ]  - [  -0.0004212800000000, -0.0008685000000000, -0.0001055900000000 ]  - [  -0.0018030100000000,  0.0475196800000000,  0.0397462200000000 ]  - [  -0.0006054000000000, -0.0004951500000000,  0.0000048500000000 ]  - [   0.0000741000000000,  0.0002083400000000,  0.0001215500000000 ]  - [   0.0009867600000000, -0.0004822900000000,  0.0000246500000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0004027100000000,  0.0003579200000000, -0.0001849200000000 ]  - [  -0.0001261400000000,  0.0002666200000000,  0.0000510100000000 ]  - [  -0.0002175200000000, -0.0003505300000000,  0.0001810300000000 ]  - [   0.0009376700000000, -0.0002493100000000,  0.0004440800000000 ]  - [  -0.0051280000000000,  0.0462356800000000,  0.0578100800000000 ]  - [  -0.0000802000000000,  0.0002111700000000,  0.0000632200000000 ]  - [   0.0003623800000000,  0.0003627100000000, -0.0001474900000000 ]  - [  -0.0026096100000000, -0.0009228100000000,  0.0004429700000000 ]  - [   0.0000139700000000, -0.0001190600000000,  0.0000030700000000 ]  - [  -0.0022866800000000, -0.0004097200000000, -0.0016638900000000 ]  - [   0.0000847100000000, -0.0000439700000000,  0.0000061200000000 ]  - [   0.0000241300000000,  0.0000898400000000,  0.0000695700000000 ]  - [   0.0008659800000000, -0.0023064900000000, -0.0008241300000000 ]  - [  -0.0000029200000000,  0.0000310300000000,  0.0002979200000000 ]  - [   0.0009219700000000,  0.0002124500000000, -0.0017067000000000 ]  - [   0.0001052000000000, -0.0005388200000000,  0.0000940400000000 ]  - [   0.0004698900000000,  0.0005432000000000, -0.0007503200000000 ]  - [  -0.0002208000000000, -0.0002510800000000, -0.0001184800000000 ]  - [  -0.0000207900000000,  0.0002868700000000, -0.0004379300000000 ]  - [   0.0002496000000000,  0.0000546000000000,  0.0001030500000000 ]  - [   0.0000085500000000, -0.0001139000000000,  0.0001421900000000 ]  - [   0.0010205800000000,  0.0009729800000000, -0.0019776400000000 ]  - [   0.0001978100000000,  0.0001035600000000,  0.0001119000000000 ]  - [  -0.0001093000000000, -0.0005052300000000,  0.0001656900000000 ]  - [   0.0003581600000000,  0.0003356800000000, -0.0009019100000000 ]  - [  -0.0001250500000000, -0.0004720900000000,  0.0004453300000000 ]  - [   0.0001794900000000,  0.0000577400000000, -0.0002109300000000 ]  - [  -0.0001557400000000, -0.0002860600000000,  0.0004740100000000 ]  - [  -0.0007299700000000,  0.0003004000000000,  0.0005590900000000 ]  - [  -0.0003054000000000, -0.0002485200000000, -0.0005872200000000 ]  - [   0.0000428400000000, -0.0003456900000000, -0.0003198100000000 ]  - [  -0.0001723500000000,  0.0001227500000000, -0.0000970900000000 ]  - [   0.0000522300000000,  0.0000107900000000, -0.0000154200000000 ]  - [   0.0003966600000000, -0.0005308500000000, -0.0054517000000000 ]  - [   0.0000168300000000, -0.0001474300000000,  0.0000760900000000 ]  - [   0.0000288400000000,  0.0000154800000000, -0.0000058700000000 ]  - [  -0.0001118300000000,  0.0000275300000000, -0.0000637000000000 ]  - [   0.0039588500000000,  0.0030568900000000, -0.0068635900000000 ]  - [  -0.0000639400000000, -0.0001499500000000,  0.0000355500000000 ]  - [  -0.0000518700000000,  0.0002360400000000,  0.0002037900000000 ]  - [  -0.0000637300000000, -0.0001022200000000, -0.0000430100000000 ]  - [   0.0000902300000000, -0.0000595300000000, -0.0000361200000000 ]  - [   0.0004104200000000, -0.0002193800000000,  0.0002556600000000 ]  - [   0.0000936500000000, -0.0000306300000000,  0.0000605300000000 ]  - [   0.0003111900000000,  0.0003701700000000,  0.0002178600000000 ]  - [   0.0000615100000000, -0.0001373000000000, -0.0000918800000000 ]  - [  -0.0001389500000000, -0.0001108500000000,  0.0000777300000000 ]  - [   0.0001325800000000,  0.0001327100000000,  0.0001887700000000 ]  - [   0.0001214400000000,  0.0000197200000000,  0.0004283100000000 ]  - [   0.0000201400000000,  0.0000405400000000, -0.0000185700000000 ]  - [  -0.0001603100000000,  0.0000768300000000, -0.0003099600000000 ]  - [  -0.0005282800000000,  0.0014175800000000, -0.0011549200000000 ]  - [   0.0000274600000000,  0.0000842800000000,  0.0000648500000000 ]  - [   0.0001125700000000,  0.0002399200000000,  0.0003205800000000 ]  - [  -0.0000777300000000,  0.0001190000000000, -0.0000327700000000 ]  - [   0.0005240900000000, -0.0004835400000000, -0.0000243100000000 ]  - [  -0.0001737000000000, -0.0022223900000000,  0.0003466300000000 ]  - [  -0.0000794200000000, -0.0000650500000000,  0.0001126300000000 ]  - [  -0.0001440100000000, -0.0000154100000000, -0.0000552200000000 ]  - [   0.0013935000000000, -0.0005305100000000, -0.0007283100000000 ]  - [  -0.0010262400000000, -0.0000548100000000, -0.0006136100000000 ]  - [  -0.0000557300000000, -0.0000595600000000,  0.0000962300000000 ]  - [   0.0000951900000000,  0.0000976500000000,  0.0001162400000000 ]  - [   0.0000508300000000, -0.0000746700000000, -0.0000885700000000 ]  - [   0.0003888100000000, -0.0003482400000000,  0.0003775600000000 ]  - [  -0.0004489600000000,  0.0010046100000000,  0.0001023600000000 ]  - [   0.0005670200000000,  0.0001940900000000,  0.0006708700000000 ]  - [  -0.0002895800000000,  0.0001266800000000, -0.0006306100000000 ]  - [   0.0018630100000000, -0.0459430300000000, -0.0387262700000000 ]  - [   0.0005298200000000,  0.0005389800000000,  0.0001675000000000 ]  - [   0.0001027400000000, -0.0003116400000000, -0.0003669200000000 ]  - [  -0.0010850800000000,  0.0004055800000000, -0.0001343600000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000372700000000,  0.0001704100000000, -0.0004044400000000 ]  - [   0.0001448800000000,  0.0011660100000000,  0.0010502700000000 ]  - [  -0.0017503200000000,  0.0003671600000000, -0.0003377900000000 ]  - [   0.0004285100000000,  0.0000465200000000,  0.0004681400000000 ]  - [  -0.0000654700000000, -0.0003915500000000, -0.0004900000000000 ]  - [   0.0002889700000000, -0.0005392900000000, -0.0002065200000000 ]  - [  -0.0000044600000000, -0.0001285300000000,  0.0000516500000000 ]  - [  -0.0001969700000000, -0.0000307800000000, -0.0000966700000000 ]  - [  -0.0004067800000000,  0.0000123400000000,  0.0002118700000000 ]  - [   0.0009184200000000, -0.0002988900000000,  0.0001128500000000 ]  - [   0.0020408700000000,  0.0005061900000000,  0.0002987000000000 ]  - [  -0.0001233900000000, -0.0000149600000000, -0.0001911200000000 ]  - [  -0.0006440500000000,  0.0010053200000000, -0.0005978800000000 ]  - [   0.0004191600000000, -0.0001258500000000,  0.0002359300000000 ]  - [  -0.0001162600000000, -0.0004150600000000,  0.0011608900000000 ]  - [   0.0012126200000000,  0.0000741000000000, -0.0001637900000000 ]  - [  -0.0214552800000000, -0.0067845500000000, -0.0008450100000000 ]  - [  -0.0002016500000000, -0.0001284000000000,  0.0000664100000000 ]  - [  -0.0000037900000000, -0.0000733700000000,  0.0002341000000000 ]  - [  -0.0002420700000000,  0.0001093800000000,  0.0002895500000000 ]  - [   0.0002041500000000, -0.0003028400000000,  0.0001481900000000 ]  - [  -0.0018157700000000,  0.0007521700000000,  0.0015839300000000 ]  - [  -0.0000525000000000,  0.0003465600000000,  0.0000934700000000 ]  - [  -0.0000635000000000,  0.0000925200000000, -0.0001563200000000 ]  - [  -0.0020088900000000, -0.0015403800000000, -0.0007216700000000 ]  - [   0.0001077100000000,  0.0000419300000000, -0.0003081200000000 ]  - [   0.0003421700000000, -0.0002996700000000, -0.0018002300000000 ]  - [   0.0002475800000000,  0.0000505600000000, -0.0000192900000000 ]  - [   0.0013838400000000, -0.0003314000000000,  0.0008054300000000 ]  - [  -0.0002127600000000, -0.0001630800000000,  0.0002586100000000 ]  - [   0.0001238600000000, -0.0002608500000000, -0.0002986800000000 ]  - [   0.0007339900000000,  0.0002395500000000, -0.0002179100000000 ]  - [  -0.0001941300000000,  0.0000341200000000,  0.0000997500000000 ]  - [   0.0014942000000000, -0.0001355400000000, -0.0004922000000000 ]  - [  -0.0000336200000000,  0.0000924400000000,  0.0000330000000000 ]  - [  -0.0000189900000000,  0.0000967100000000, -0.0000178000000000 ]  - [   0.0063388200000000,  0.0020100900000000, -0.0010400000000000 ]  - [  -0.0002637300000000, -0.0000660500000000, -0.0003717400000000 ]  - [  -0.0000783200000000, -0.0001039200000000,  0.0000891300000000 ]  - [   0.0015423200000000,  0.0017084800000000,  0.0001185900000000 ]  - [  -0.0000999200000000, -0.0000135100000000,  0.0002068900000000 ]  - [  -0.0001539200000000, -0.0001060000000000, -0.0000842900000000 ]  - [  -0.0003046000000000,  0.0002632600000000,  0.0001123000000000 ]  - [   0.0001420700000000, -0.0003217400000000, -0.0000237900000000 ]  - [   0.0009343300000000,  0.0000016700000000, -0.0001851300000000 ]  - [  -0.0002185400000000, -0.0003091100000000, -0.0004541000000000 ]  - [  -0.0001553500000000, -0.0001278200000000,  0.0000915800000000 ]  - [   0.0000915100000000,  0.0000999900000000,  0.0001267100000000 ]  - [   0.0017644100000000, -0.0001329100000000,  0.0002710100000000 ]  - [  -0.0000120900000000,  0.0000914800000000, -0.0000559100000000 ]  - [   0.0002816400000000,  0.0009104200000000, -0.0005191900000000 ]  - [   0.0000660000000000, -0.0000237300000000, -0.0000093500000000 ]  - [  -0.0003545800000000, -0.0000694400000000,  0.0000405400000000 ]  - [  -0.0000102800000000,  0.0003922400000000,  0.0001058800000000 ]  - [  -0.0002117000000000, -0.0001290400000000, -0.0000221300000000 ]  - [   0.0000808000000000,  0.0000056800000000, -0.0000326100000000 ]  - [   0.0000979300000000, -0.0000618900000000,  0.0001430700000000 ]  - [  -0.0002530200000000,  0.0001160900000000,  0.0001279200000000 ]  - [   0.0000041900000000, -0.0002300800000000,  0.0002540400000000 ]  - [  -0.0000185100000000, -0.0000035500000000,  0.0000313200000000 ]  - [   0.0000003800000000,  0.0000161100000000, -0.0002739600000000 ]  - [  -0.0000485400000000, -0.0000308200000000,  0.0000644300000000 ]  - [   0.0000768300000000,  0.0000189100000000,  0.0000331500000000 ]  - [   0.0000686100000000, -0.0000046000000000, -0.0000388800000000 ]  - [   0.0002351600000000, -0.0004269400000000,  0.0004715700000000 ]  - [  -0.0000462100000000,  0.0001153500000000, -0.0003081400000000 ]  - [   0.0103280800000000,  0.0042710100000000,  0.0011089400000000 ]  - [  -0.0007829800000000, -0.0001068900000000,  0.0001996500000000 ]  - [   0.0004694600000000,  0.0002633000000000, -0.0000685500000000 ]  - [  -0.0002138200000000, -0.0007923200000000, -0.0001411500000000 ]  - [  -0.0002572400000000,  0.0002640800000000,  0.0003087000000000 ]  - [   0.0004432300000000, -0.0007267900000000, -0.0001137900000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002122100000000, -0.0000018500000000,  0.0002400900000000 ]  - [   0.0000261200000000, -0.0013550400000000, -0.0012411500000000 ]  - [   0.0016023400000000, -0.0005065700000000,  0.0005326800000000 ]  - [  -0.0002499700000000,  0.0001290800000000, -0.0002880000000000 ]  - [  -0.0001135600000000,  0.0002905400000000,  0.0003744100000000 ]  - [  -0.0004678700000000,  0.0006437600000000,  0.0003291900000000 ]  - [   0.0001763400000000, -0.0000386200000000,  0.0001290400000000 ]  - [   0.0002899800000000,  0.0001397000000000, -0.0000882900000000 ]  - [   0.0005597900000000,  0.0001642000000000, -0.0003609800000000 ]  - [  -0.0007629600000000,  0.0001199300000000,  0.0000405600000000 ]  - [  -0.0021696600000000, -0.0006496100000000, -0.0004784700000000 ]  - [   0.0000084200000000, -0.0001709900000000,  0.0000951700000000 ]  - [   0.0004670400000000, -0.0008289300000000,  0.0007844400000000 ]  - [  -0.0003138000000000,  0.0000081100000000, -0.0000640300000000 ]  - [  -0.0000116600000000,  0.0005926200000000, -0.0010445400000000 ]  - [  -0.0010359600000000,  0.0000529200000000,  0.0000294000000000 ]  - [   0.0215254700000000,  0.0069140200000000,  0.0009417100000000 ]  - [   0.0003116500000000,  0.0002046500000000, -0.0000453200000000 ]  - [  -0.0001018900000000,  0.0000121800000000, -0.0002163100000000 ]  - [   0.0003230300000000, -0.0000924700000000, -0.0001923000000000 ]  - [  -0.0001928600000000,  0.0002067900000000, -0.0002186600000000 ]  - [   0.0018428100000000, -0.0006304200000000, -0.0015062700000000 ]  - [  -0.0000154500000000, -0.0003704500000000,  0.0000131900000000 ]  - [   0.0000345400000000,  0.0000178900000000,  0.0000924000000000 ]  - [   0.0019057200000000,  0.0016307900000000,  0.0006568200000000 ]  - [  -0.0000410800000000, -0.0000594800000000,  0.0002017700000000 ]  - [  -0.0003652300000000,  0.0001864600000000,  0.0018619400000000 ]  - [  -0.0003444000000000,  0.0000212600000000, -0.0000009700000000 ]  - [  -0.0014775400000000,  0.0002671000000000, -0.0007155400000000 ]  - [  -0.0001204200000000, -0.0001629200000000,  0.0000757700000000 ]  - [   0.0002120100000000, -0.0000810000000000, -0.0000362600000000 ]  - [  -0.0010488200000000,  0.0000684400000000, -0.0001331900000000 ]  - [   0.0001721600000000, -0.0000546100000000, -0.0001316800000000 ]  - [  -0.0014893700000000,  0.0001804400000000,  0.0005185100000000 ]  - [   0.0000155300000000, -0.0000750800000000, -0.0000052200000000 ]  - [   0.0000567800000000, -0.0001303400000000,  0.0000390000000000 ]  - [  -0.0059458500000000, -0.0019803000000000,  0.0007912100000000 ]  - [   0.0000832400000000,  0.0001978300000000,  0.0002821300000000 ]  - [  -0.0000066600000000, -0.0000772500000000,  0.0000216200000000 ]  - [  -0.0014550000000000, -0.0015137200000000, -0.0000408200000000 ]  - [  -0.0000768100000000, -0.0000944400000000, -0.0001186900000000 ]  - [   0.0002330300000000, -0.0000842900000000, -0.0000032100000000 ]  - [   0.0005080600000000, -0.0003522900000000, -0.0001910100000000 ]  - [   0.0000503000000000,  0.0003665300000000,  0.0000871000000000 ]  - [  -0.0011775400000000,  0.0002529900000000, -0.0000288200000000 ]  - [   0.0004374300000000,  0.0000829100000000,  0.0002261800000000 ]  - [  -0.0000929400000000, -0.0001176000000000,  0.0001544400000000 ]  - [   0.0001187100000000,  0.0001020600000000,  0.0000858500000000 ]  - [  -0.0020317700000000,  0.0000965200000000, -0.0001975800000000 ]  - [  -0.0000478200000000, -0.0000334700000000, -0.0000404300000000 ]  - [  -0.0003720700000000, -0.0007337400000000,  0.0004069100000000 ]  - [  -0.0000063500000000, -0.0000674300000000, -0.0000503300000000 ]  - [   0.0002404900000000,  0.0001526800000000, -0.0001019500000000 ]  - [   0.0003526200000000, -0.0000657100000000,  0.0002252400000000 ]  - [   0.0001371400000000,  0.0002514300000000, -0.0000829200000000 ]  - [   0.0000396300000000, -0.0001245700000000, -0.0000313800000000 ]  - [  -0.0001624900000000, -0.0000735300000000, -0.0000413000000000 ]  - [   0.0003100700000000, -0.0000063000000000, -0.0000457900000000 ]  - [   0.0001187300000000,  0.0003333900000000, -0.0001806000000000 ]  - [   0.0001309600000000,  0.0000687100000000,  0.0000958800000000 ]  - [  -0.0001174900000000,  0.0000733900000000,  0.0000839500000000 ]  - [  -0.0000696200000000, -0.0000582200000000,  0.0001197800000000 ]  - [  -0.0000072800000000,  0.0000522700000000,  0.0001655600000000 ]  - [   0.0000406300000000, -0.0000711700000000, -0.0000858500000000 ]  - [   0.0004975600000000, -0.0003126400000000,  0.0002664800000000 ]  - [  -0.0006989800000000,  0.0006047000000000,  0.0010703000000000 ]  - [  -0.0097059000000000, -0.0039201600000000, -0.0020190500000000 ]  - [   0.0000422000000000, -0.0006278000000000, -0.0009271800000000 ]  - [  -0.0003382600000000, -0.0003459700000000,  0.0001557200000000 ]  - [   0.0000942000000000,  0.0009060800000000,  0.0002328500000000 ]  - [   0.0003714900000000, -0.0001580700000000, -0.0004167600000000 ]  - [  -0.0004887200000000,  0.0006346600000000, -0.0000564500000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000700200000000,  0.0000215100000000,  0.0000594900000000 ]  - [   0.0011187200000000,  0.0013809200000000,  0.0013318400000000 ]  - [   0.0021632700000000,  0.0003828600000000, -0.0013675600000000 ]  - [  -0.0004478100000000, -0.0000726500000000, -0.0006144600000000 ]  - [  -0.0000594300000000, -0.0000911100000000, -0.0005660400000000 ]  - [  -0.0006379900000000,  0.0009176200000000,  0.0003697700000000 ]  - [   0.0001890600000000, -0.0007662300000000,  0.0003919100000000 ]  - [  -0.0000114500000000,  0.0002603400000000, -0.0002197600000000 ]  - [   0.0002583100000000,  0.0020790500000000, -0.0025522800000000 ]  - [   0.0004938200000000, -0.0001299900000000,  0.0002808100000000 ]  - [  -0.0021254900000000, -0.0002909400000000, -0.0005949200000000 ]  - [  -0.0002886900000000,  0.0001280600000000, -0.0000489400000000 ]  - [  -0.0004082200000000,  0.0020909300000000, -0.0019360400000000 ]  - [   0.0003448100000000, -0.0002518800000000,  0.0001310300000000 ]  - [   0.0002176000000000, -0.0001438900000000,  0.0002917100000000 ]  - [  -0.0004110500000000,  0.0002423900000000, -0.0004310500000000 ]  - [  -0.0068958400000000, -0.0873398800000000, -0.0286215000000000 ]  - [   0.0002182200000000,  0.0000594500000000, -0.0000300700000000 ]  - [  -0.0000103200000000, -0.0002844900000000,  0.0002200300000000 ]  - [   0.0016914600000000,  0.0023011900000000,  0.0018851100000000 ]  - [   0.0001851200000000,  0.0000272700000000, -0.0004113100000000 ]  - [   0.0010800700000000, -0.0019175700000000,  0.0029699900000000 ]  - [  -0.0002733200000000, -0.0001267100000000, -0.0000754500000000 ]  - [   0.0000284500000000,  0.0000341000000000, -0.0002749800000000 ]  - [  -0.0029526700000000,  0.0008175900000000,  0.0015016200000000 ]  - [   0.0004125000000000, -0.0000507300000000, -0.0002388200000000 ]  - [  -0.0012896200000000, -0.0003336800000000,  0.0016964600000000 ]  - [  -0.0000342100000000,  0.0001821700000000, -0.0002385800000000 ]  - [   0.0006708200000000,  0.0000503100000000,  0.0014669600000000 ]  - [  -0.0002445800000000, -0.0000924900000000,  0.0002553300000000 ]  - [   0.0002192100000000, -0.0001253900000000, -0.0000353100000000 ]  - [   0.0014032700000000, -0.0005278000000000, -0.0008058300000000 ]  - [  -0.0000003800000000,  0.0000037400000000, -0.0000709700000000 ]  - [  -0.0013724000000000,  0.0009628800000000,  0.0021288500000000 ]  - [  -0.0000370200000000, -0.0000671900000000,  0.0000038200000000 ]  - [   0.0001409500000000, -0.0000382200000000,  0.0001016300000000 ]  - [   0.0041957500000000,  0.0018764100000000, -0.0006938600000000 ]  - [  -0.0002217500000000,  0.0001043600000000, -0.0003363100000000 ]  - [  -0.0000275200000000, -0.0001340000000000,  0.0000308400000000 ]  - [   0.0016039700000000,  0.0049453000000000,  0.0000428000000000 ]  - [   0.0000116100000000, -0.0000851000000000, -0.0001921400000000 ]  - [   0.0001244800000000, -0.0000760400000000,  0.0001563300000000 ]  - [  -0.0000928500000000, -0.0001335400000000,  0.0000061500000000 ]  - [   0.0005831000000000,  0.0007918900000000,  0.0004052000000000 ]  - [  -0.0004547000000000,  0.0010219100000000, -0.0025498800000000 ]  - [   0.0003942000000000,  0.0000101200000000, -0.0000239800000000 ]  - [  -0.0000933100000000, -0.0000944200000000,  0.0000426800000000 ]  - [  -0.0000747800000000, -0.0002077200000000,  0.0000916400000000 ]  - [  -0.0026150500000000,  0.0010260100000000, -0.0003817000000000 ]  - [   0.0000399000000000,  0.0000326400000000,  0.0000624800000000 ]  - [   0.0002758300000000, -0.0004471100000000,  0.0003066800000000 ]  - [   0.0000056800000000, -0.0000607000000000,  0.0000003700000000 ]  - [  -0.0003238500000000, -0.0000460300000000,  0.0001050300000000 ]  - [   0.0000313500000000,  0.0001459400000000,  0.0000852900000000 ]  - [   0.0002206200000000, -0.0000544800000000, -0.0000125300000000 ]  - [   0.0000967300000000, -0.0001137700000000, -0.0000414000000000 ]  - [  -0.0001916800000000, -0.0001188700000000,  0.0003966900000000 ]  - [   0.0000659800000000,  0.0000998900000000, -0.0000566900000000 ]  - [   0.0000463100000000,  0.0000502000000000,  0.0000316100000000 ]  - [   0.0000989900000000,  0.0000037400000000,  0.0000990000000000 ]  - [  -0.0000886800000000, -0.0000213800000000,  0.0002229600000000 ]  - [  -0.0000163600000000, -0.0000413100000000,  0.0000352200000000 ]  - [   0.0000319300000000,  0.0000379000000000,  0.0001180000000000 ]  - [   0.0000093400000000, -0.0002078100000000, -0.0002589500000000 ]  - [   0.0003000500000000, -0.0002563700000000,  0.0005256400000000 ]  - [  -0.0013704600000000, -0.0008941500000000,  0.0003494500000000 ]  - [   0.0030643500000000,  0.0748153600000000,  0.0246133000000000 ]  - [  -0.0000065800000000, -0.0003303300000000, -0.0005774300000000 ]  - [   0.0002860100000000, -0.0003820900000000,  0.0003376400000000 ]  - [   0.0008356700000000,  0.0002822500000000,  0.0003253400000000 ]  - [  -0.0001362400000000, -0.0002586200000000, -0.0000220500000000 ]  - [   0.0001268200000000, -0.0005716000000000,  0.0008040900000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000737800000000,  0.0001289500000000, -0.0002084400000000 ]  - [  -0.0009407200000000, -0.0015600600000000, -0.0015142200000000 ]  - [  -0.0023406000000000, -0.0005004100000000,  0.0015483100000000 ]  - [   0.0006083700000000,  0.0002338400000000,  0.0007820800000000 ]  - [  -0.0001366400000000,  0.0000536500000000,  0.0005047300000000 ]  - [   0.0004666900000000, -0.0007523400000000, -0.0001768200000000 ]  - [  -0.0000093800000000,  0.0006304900000000, -0.0002507200000000 ]  - [   0.0000539600000000, -0.0001767900000000,  0.0000411600000000 ]  - [  -0.0000653100000000, -0.0019132100000000,  0.0023866500000000 ]  - [  -0.0002717400000000, -0.0000473900000000, -0.0000478200000000 ]  - [   0.0019010700000000,  0.0000845400000000,  0.0004288500000000 ]  - [   0.0001334900000000, -0.0003078900000000, -0.0000961600000000 ]  - [   0.0002450400000000, -0.0019257100000000,  0.0021262000000000 ]  - [  -0.0001350700000000,  0.0000564900000000,  0.0000568800000000 ]  - [  -0.0002870800000000,  0.0003297400000000, -0.0002463300000000 ]  - [   0.0005787000000000,  0.0000082100000000,  0.0001953900000000 ]  - [   0.0068105200000000,  0.0841294400000000,  0.0269272700000000 ]  - [  -0.0001122000000000,  0.0000169600000000,  0.0000343800000000 ]  - [  -0.0000965200000000,  0.0002039600000000, -0.0002015000000000 ]  - [  -0.0016177300000000, -0.0022770300000000, -0.0017772200000000 ]  - [  -0.0001696200000000, -0.0001209100000000,  0.0003290400000000 ]  - [  -0.0010378300000000,  0.0019952100000000, -0.0028288700000000 ]  - [   0.0002004600000000,  0.0001210200000000,  0.0001681300000000 ]  - [  -0.0000567700000000,  0.0000692300000000,  0.0001910700000000 ]  - [   0.0028402100000000, -0.0007296200000000, -0.0015854800000000 ]  - [  -0.0003301500000000,  0.0000434600000000,  0.0001301800000000 ]  - [   0.0012575100000000,  0.0002369600000000, -0.0016109700000000 ]  - [  -0.0000547500000000, -0.0001002900000000,  0.0002238500000000 ]  - [  -0.0007650000000000, -0.0001338900000000, -0.0013625200000000 ]  - [  -0.0000716900000000, -0.0002421900000000,  0.0001067900000000 ]  - [   0.0001047700000000, -0.0002390900000000, -0.0002924300000000 ]  - [  -0.0017086400000000,  0.0007954400000000,  0.0004316500000000 ]  - [  -0.0000136700000000, -0.0000314600000000,  0.0000128900000000 ]  - [   0.0014171900000000, -0.0009235500000000, -0.0021280200000000 ]  - [  -0.0000278700000000,  0.0000900900000000,  0.0000500400000000 ]  - [  -0.0001085400000000, -0.0000180500000000, -0.0000566600000000 ]  - [  -0.0041444800000000, -0.0019365500000000,  0.0004603300000000 ]  - [   0.0000854300000000,  0.0000507100000000,  0.0002392000000000 ]  - [  -0.0000314600000000, -0.0000759300000000,  0.0000356800000000 ]  - [  -0.0016695600000000, -0.0050932700000000, -0.0000045900000000 ]  - [  -0.0002178900000000,  0.0000304700000000,  0.0002693700000000 ]  - [  -0.0000711200000000, -0.0001513400000000, -0.0001672800000000 ]  - [   0.0003311500000000,  0.0001215700000000, -0.0000601600000000 ]  - [  -0.0003846700000000, -0.0007442200000000, -0.0003483700000000 ]  - [   0.0001588400000000, -0.0007418700000000,  0.0022620900000000 ]  - [  -0.0002271100000000, -0.0001746400000000, -0.0001398000000000 ]  - [  -0.0001008400000000, -0.0001104700000000,  0.0001657100000000 ]  - [   0.0002863000000000,  0.0004182700000000,  0.0001055700000000 ]  - [   0.0025967800000000, -0.0010872800000000,  0.0004355600000000 ]  - [  -0.0000906500000000,  0.0000400900000000, -0.0001792700000000 ]  - [  -0.0003816600000000,  0.0006106600000000, -0.0004812500000000 ]  - [   0.0000444000000000, -0.0000270500000000, -0.0000510100000000 ]  - [   0.0002527600000000,  0.0000482700000000, -0.0001652500000000 ]  - [   0.0003316500000000,  0.0001911600000000,  0.0002297400000000 ]  - [  -0.0002831000000000,  0.0001666500000000, -0.0000444000000000 ]  - [   0.0000701600000000, -0.0000531800000000, -0.0000231200000000 ]  - [   0.0001203400000000, -0.0000549000000000, -0.0002218000000000 ]  - [  -0.0000005600000000, -0.0000203900000000,  0.0000599300000000 ]  - [   0.0000380200000000, -0.0000012400000000,  0.0000223200000000 ]  - [   0.0000767700000000,  0.0000737700000000,  0.0000797400000000 ]  - [  -0.0000751700000000,  0.0001254400000000, -0.0003739200000000 ]  - [  -0.0000276800000000, -0.0000242500000000,  0.0001559800000000 ]  - [   0.0000252700000000,  0.0000368800000000,  0.0000874700000000 ]  - [   0.0000394200000000,  0.0001544300000000,  0.0001582900000000 ]  - [   0.0004193900000000, -0.0004733600000000,  0.0001959500000000 ]  - [   0.0006281000000000,  0.0016287800000000,  0.0003793100000000 ]  - [  -0.0020584200000000, -0.0705880200000000, -0.0238043800000000 ]  - [  -0.0007096900000000, -0.0004023600000000, -0.0001415400000000 ]  - [  -0.0001925800000000,  0.0002470200000000, -0.0002516800000000 ]  - [  -0.0009569100000000, -0.0001917900000000, -0.0001963000000000 ]  - [   0.0001733300000000,  0.0003660700000000, -0.0001236900000000 ]  - [  -0.0002412200000000,  0.0004141400000000, -0.0008558000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000813200000000, -0.0000838200000000,  0.0000487700000000 ]  - [   0.0002105300000000,  0.0005315500000000,  0.0003205200000000 ]  - [   0.0004970200000000, -0.0003778700000000, -0.0030223200000000 ]  - [   0.0003096900000000,  0.0002519100000000,  0.0005688100000000 ]  - [  -0.0000965700000000,  0.0000813500000000,  0.0006873400000000 ]  - [  -0.0001708800000000,  0.0001252200000000,  0.0001876700000000 ]  - [  -0.0000045000000000, -0.0003293400000000,  0.0005202700000000 ]  - [   0.0006728600000000,  0.0002650400000000,  0.0002331100000000 ]  - [  -0.0003941600000000, -0.0000456700000000, -0.0003318900000000 ]  - [  -0.0002281800000000, -0.0002639500000000, -0.0002373900000000 ]  - [   0.0001323900000000, -0.0000292800000000, -0.0005355900000000 ]  - [  -0.0001547700000000, -0.0002759500000000, -0.0003254700000000 ]  - [   0.0004808800000000, -0.0009454900000000, -0.0001135900000000 ]  - [  -0.0001103500000000, -0.0000494400000000,  0.0000561800000000 ]  - [  -0.0000398700000000, -0.0002765500000000,  0.0009176400000000 ]  - [  -0.0000239100000000,  0.0003410800000000, -0.0006089100000000 ]  - [  -0.0008637900000000, -0.0279723900000000, -0.0312894400000000 ]  - [  -0.0000040400000000,  0.0000077300000000,  0.0000216100000000 ]  - [   0.0001724500000000, -0.0002488600000000,  0.0004578700000000 ]  - [   0.0013022500000000,  0.0014955800000000,  0.0004031700000000 ]  - [  -0.0000905200000000, -0.0000997500000000, -0.0000882900000000 ]  - [   0.0004188100000000,  0.0016815100000000,  0.0008289400000000 ]  - [   0.0000101100000000,  0.0000232400000000, -0.0000057600000000 ]  - [   0.0000151700000000,  0.0004210500000000, -0.0001630800000000 ]  - [  -0.0011026300000000,  0.0004273600000000, -0.0018854000000000 ]  - [   0.0002143000000000,  0.0000885900000000,  0.0001481000000000 ]  - [  -0.0014934100000000,  0.0000568300000000,  0.0023207500000000 ]  - [  -0.0000383100000000,  0.0002669400000000, -0.0001482600000000 ]  - [   0.0010142100000000, -0.0010949800000000,  0.0031313800000000 ]  - [  -0.0000983400000000, -0.0001934500000000,  0.0001043300000000 ]  - [   0.0001111100000000, -0.0001442900000000, -0.0003801100000000 ]  - [   0.0003515000000000, -0.0004784200000000,  0.0005966000000000 ]  - [  -0.0000232100000000,  0.0000032200000000, -0.0000024100000000 ]  - [  -0.0012681300000000,  0.0001997800000000,  0.0028688200000000 ]  - [   0.0000042600000000, -0.0000004100000000, -0.0000530900000000 ]  - [   0.0000497200000000,  0.0000212300000000,  0.0000857000000000 ]  - [  -0.0000520000000000, -0.0000806100000000,  0.0006817500000000 ]  - [  -0.0004506500000000, -0.0000776700000000, -0.0003505600000000 ]  - [  -0.0000373400000000, -0.0000672700000000,  0.0000185900000000 ]  - [   0.0001852100000000, -0.0000232500000000,  0.0010661900000000 ]  - [   0.0000181200000000, -0.0002025000000000, -0.0000758300000000 ]  - [  -0.0000730900000000, -0.0000387200000000, -0.0000434500000000 ]  - [   0.0000742500000000, -0.0000693300000000,  0.0000345400000000 ]  - [   0.0003242900000000,  0.0003132100000000,  0.0000410000000000 ]  - [   0.0000380700000000,  0.0003198400000000,  0.0051394500000000 ]  - [  -0.0000305000000000, -0.0002175700000000, -0.0001059400000000 ]  - [  -0.0001521300000000, -0.0001168200000000,  0.0001044500000000 ]  - [   0.0000607400000000,  0.0002070700000000,  0.0001449300000000 ]  - [  -0.0008701200000000,  0.0000042300000000,  0.0009254600000000 ]  - [  -0.0000842900000000,  0.0000963600000000, -0.0000630100000000 ]  - [  -0.0006516600000000,  0.0019841600000000, -0.0006044300000000 ]  - [   0.0000150100000000, -0.0001373900000000, -0.0002980400000000 ]  - [  -0.0000157500000000,  0.0000883400000000,  0.0000059500000000 ]  - [   0.0000992200000000,  0.0002213100000000,  0.0001520400000000 ]  - [   0.0000797900000000,  0.0001633900000000, -0.0001214700000000 ]  - [   0.0000138800000000,  0.0000128500000000, -0.0000388800000000 ]  - [  -0.0000400100000000, -0.0001657000000000, -0.0000150700000000 ]  - [   0.0000923100000000, -0.0000162500000000,  0.0000340200000000 ]  - [   0.0003374700000000,  0.0005339000000000, -0.0001856700000000 ]  - [   0.0000248900000000,  0.0000050300000000,  0.0000410000000000 ]  - [  -0.0000540600000000,  0.0000475400000000, -0.0007567600000000 ]  - [  -0.0000552900000000, -0.0000087700000000,  0.0000627100000000 ]  - [   0.0000765600000000,  0.0001576200000000,  0.0001032300000000 ]  - [   0.0001313600000000,  0.0001051500000000, -0.0001646300000000 ]  - [   0.0004410000000000, -0.0002787400000000,  0.0004584100000000 ]  - [  -0.0011428300000000, -0.0001673400000000, -0.0000500200000000 ]  - [   0.0021097900000000,  0.0254550100000000,  0.0195557000000000 ]  - [  -0.0007560600000000, -0.0005687500000000, -0.0014503000000000 ]  - [   0.0009063800000000, -0.0008518700000000,  0.0001133000000000 ]  - [  -0.0001854500000000, -0.0000614300000000,  0.0005830200000000 ]  - [   0.0003884100000000,  0.0001637800000000, -0.0000769800000000 ]  - [  -0.0004458400000000, -0.0001081300000000, -0.0001812600000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0000936000000000,  0.0002564600000000, -0.0002084700000000 ]  - [  -0.0000385300000000, -0.0007128300000000, -0.0005007600000000 ]  - [  -0.0006549100000000,  0.0002518500000000,  0.0031626100000000 ]  - [  -0.0001421800000000, -0.0000853000000000, -0.0003925800000000 ]  - [  -0.0000861300000000, -0.0001912100000000, -0.0008082900000000 ]  - [  -0.0000085100000000,  0.0000089500000000, -0.0000457800000000 ]  - [   0.0001813200000000,  0.0001738600000000, -0.0003560700000000 ]  - [  -0.0005415900000000, -0.0001107100000000, -0.0004107000000000 ]  - [   0.0005358000000000,  0.0002303700000000,  0.0002026300000000 ]  - [   0.0003952500000000,  0.0000788400000000,  0.0003757700000000 ]  - [  -0.0003156800000000, -0.0001606100000000,  0.0003555200000000 ]  - [   0.0000075100000000,  0.0000964200000000,  0.0001900700000000 ]  - [  -0.0005999200000000,  0.0010897100000000,  0.0002931800000000 ]  - [   0.0002256000000000, -0.0000822400000000,  0.0001218300000000 ]  - [  -0.0001057400000000,  0.0004633000000000, -0.0007892100000000 ]  - [   0.0002159500000000, -0.0001399400000000,  0.0004012100000000 ]  - [   0.0009229800000000,  0.0275473100000000,  0.0313326200000000 ]  - [   0.0001059900000000,  0.0000648700000000, -0.0000012000000000 ]  - [  -0.0002799100000000,  0.0001765200000000, -0.0004340700000000 ]  - [  -0.0012370000000000, -0.0014851000000000, -0.0003059100000000 ]  - [   0.0001047600000000,  0.0000005800000000,  0.0000093100000000 ]  - [  -0.0004159800000000, -0.0014867100000000, -0.0007132100000000 ]  - [  -0.0000777700000000, -0.0000380900000000,  0.0001118900000000 ]  - [  -0.0000318200000000, -0.0003097900000000,  0.0000882000000000 ]  - [   0.0010219800000000, -0.0004124000000000,  0.0017876200000000 ]  - [  -0.0001421100000000, -0.0001013100000000, -0.0002496900000000 ]  - [   0.0014843100000000, -0.0001569800000000, -0.0022564400000000 ]  - [  -0.0000593300000000, -0.0001847200000000,  0.0001370700000000 ]  - [  -0.0010701300000000,  0.0009465700000000, -0.0029472800000000 ]  - [  -0.0002308200000000, -0.0001506600000000,  0.0002422200000000 ]  - [   0.0002157200000000, -0.0001899000000000,  0.0000436900000000 ]  - [  -0.0006933900000000,  0.0008086800000000, -0.0009419400000000 ]  - [  -0.0000084900000000, -0.0000380000000000, -0.0000371100000000 ]  - [   0.0012271500000000, -0.0001479800000000, -0.0027771500000000 ]  - [  -0.0000292700000000,  0.0000256100000000,  0.0000793400000000 ]  - [  -0.0000193400000000, -0.0000652800000000, -0.0000533400000000 ]  - [   0.0000841500000000,  0.0000182900000000, -0.0008890100000000 ]  - [   0.0002705200000000,  0.0001789000000000,  0.0002712500000000 ]  - [  -0.0000438600000000, -0.0001161900000000,  0.0000782400000000 ]  - [  -0.0000932500000000,  0.0002463200000000, -0.0009789900000000 ]  - [  -0.0002034300000000,  0.0001097100000000,  0.0001541600000000 ]  - [   0.0001337300000000, -0.0001755500000000, -0.0000040500000000 ]  - [   0.0001458500000000,  0.0000216900000000, -0.0001075300000000 ]  - [  -0.0001474200000000, -0.0002433400000000,  0.0000317700000000 ]  - [  -0.0002888000000000, -0.0001056000000000, -0.0056894300000000 ]  - [   0.0002198000000000,  0.0000242200000000, -0.0000915700000000 ]  - [  -0.0000848100000000, -0.0001174500000000,  0.0001315800000000 ]  - [   0.0001727700000000,  0.0000159200000000,  0.0000879200000000 ]  - [   0.0008325200000000, -0.0000555700000000, -0.0008382000000000 ]  - [  -0.0000090400000000, -0.0000366200000000, -0.0000486300000000 ]  - [   0.0005785100000000, -0.0018140200000000,  0.0005163700000000 ]  - [   0.0000499800000000,  0.0000215900000000,  0.0002134300000000 ]  - [  -0.0000840500000000, -0.0000452000000000, -0.0000662000000000 ]  - [   0.0002443800000000,  0.0001115900000000,  0.0001818900000000 ]  - [  -0.0001529800000000, -0.0000394300000000,  0.0000288000000000 ]  - [   0.0001047700000000, -0.0001089300000000, -0.0000237600000000 ]  - [  -0.0000160800000000,  0.0000496800000000,  0.0001033800000000 ]  - [  -0.0000334100000000,  0.0001111000000000,  0.0000108700000000 ]  - [  -0.0002293900000000, -0.0004442200000000,  0.0002546700000000 ]  - [   0.0000671300000000,  0.0000681300000000,  0.0000957400000000 ]  - [  -0.0000419700000000,  0.0000349600000000,  0.0005695200000000 ]  - [  -0.0000449800000000, -0.0000724600000000,  0.0001243300000000 ]  - [   0.0000174100000000, -0.0000805900000000,  0.0000841200000000 ]  - [  -0.0000390500000000, -0.0001774500000000,  0.0000466100000000 ]  - [   0.0002760600000000, -0.0004742400000000,  0.0002690200000000 ]  - [   0.0004109600000000,  0.0008994700000000,  0.0008045400000000 ]  - [  -0.0012949500000000, -0.0244261500000000, -0.0202921300000000 ]  - [   0.0000227100000000, -0.0001667100000000,  0.0007159200000000 ]  - [  -0.0008055500000000,  0.0007208300000000, -0.0000300300000000 ]  - [   0.0001248400000000,  0.0001254400000000, -0.0004190500000000 ]  - [  -0.0002569400000000, -0.0000687200000000, -0.0000342100000000 ]  - [   0.0003517400000000,  0.0000404700000000,  0.0000330800000000 ]- atom:   29  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001282400000000,  0.0000267900000000, -0.0001001900000000 ]  - [  -0.0000432200000000, -0.0001002400000000, -0.0002127000000000 ]  - [  -0.0000310500000000, -0.0002924500000000,  0.0002665700000000 ]  - [   0.0006668700000000, -0.0005180000000000, -0.0001684800000000 ]  - [  -0.0005168500000000,  0.0002885800000000,  0.0005943800000000 ]  - [  -0.0001046800000000,  0.0001752600000000,  0.0001382600000000 ]  - [   0.0000853700000000,  0.0000516400000000, -0.0003908100000000 ]  - [   0.0000338200000000,  0.0001652700000000,  0.0000237200000000 ]  - [   0.0008896600000000,  0.0001226700000000,  0.0002772500000000 ]  - [  -0.0003242300000000, -0.0003822200000000,  0.0003083800000000 ]  - [   0.0005696700000000, -0.0015369900000000, -0.0006940300000000 ]  - [  -0.0001060300000000,  0.0000018500000000, -0.0001420500000000 ]  - [  -0.0001227500000000, -0.0020916000000000,  0.0003873500000000 ]  - [   0.0000182300000000,  0.0000007200000000,  0.0000894600000000 ]  - [  -0.0000301600000000,  0.0001034300000000, -0.0000344200000000 ]  - [  -0.0001334300000000,  0.0001519600000000, -0.0002710000000000 ]  - [   0.0014769200000000,  0.0006787600000000,  0.0010156000000000 ]  - [  -0.0002481600000000,  0.0003231500000000, -0.0000111000000000 ]  - [  -0.0000252900000000, -0.0000300500000000, -0.0000357100000000 ]  - [   0.0001012600000000, -0.0000399000000000, -0.0000040700000000 ]  - [  -0.0000294600000000, -0.0000751800000000, -0.0000324600000000 ]  - [   0.0009147400000000, -0.0001686400000000, -0.0003681500000000 ]  - [  -0.0000624700000000, -0.0000796300000000,  0.0000789400000000 ]  - [  -0.0000135000000000,  0.0000416900000000,  0.0000742700000000 ]  - [  -0.0000603400000000,  0.0001271300000000, -0.0000485800000000 ]  - [  -0.0000718600000000, -0.0001102500000000, -0.0002449600000000 ]  - [  -0.0001173100000000, -0.0000790300000000,  0.0002457600000000 ]  - [  -0.0001125200000000,  0.0000548700000000, -0.0002895900000000 ]  - [  -0.0129751700000000,  0.0004595100000000, -0.0004724100000000 ]  - [   0.0000313900000000, -0.0002106300000000,  0.0001188600000000 ]  - [   0.0001534800000000, -0.0001707600000000, -0.0001897700000000 ]  - [  -0.0007443500000000, -0.0000792000000000, -0.0008719500000000 ]  - [  -0.0000020500000000,  0.0000058800000000, -0.0000134800000000 ]  - [   0.0035650800000000, -0.0020118700000000, -0.0000879300000000 ]  - [  -0.0000274600000000,  0.0000285400000000,  0.0000109800000000 ]  - [   0.0003757900000000, -0.0007053700000000, -0.0002712800000000 ]  - [   0.0001259600000000,  0.0005072000000000, -0.0008897500000000 ]  - [  -0.0000565700000000,  0.0000595400000000, -0.0000831800000000 ]  - [  -0.0000213200000000, -0.0000607800000000,  0.0000534500000000 ]  - [   0.0008540000000000,  0.0008523800000000,  0.0013752600000000 ]  - [  -0.0000858900000000, -0.0000717500000000,  0.0000207200000000 ]  - [   0.0027035800000000, -0.0002835700000000,  0.0011453100000000 ]  - [   0.0001293100000000, -0.0000592300000000, -0.0000369900000000 ]  - [   0.0001008500000000,  0.0000878100000000,  0.0000617600000000 ]  - [  -0.0001391900000000,  0.0001442300000000, -0.0000539200000000 ]  - [   0.0008765000000000,  0.0013758000000000,  0.0000411300000000 ]  - [  -0.0000939400000000, -0.0001527400000000,  0.0001312000000000 ]  - [   0.0001032800000000,  0.0002269200000000,  0.0001665200000000 ]  - [   0.0000618300000000, -0.0000510300000000,  0.0001277700000000 ]  - [  -0.0000480800000000, -0.0006977600000000,  0.0003330400000000 ]  - [  -0.0000429800000000,  0.0000420000000000, -0.0000418800000000 ]  - [   0.0002027500000000,  0.0003309300000000, -0.0009478000000000 ]  - [   0.0001649600000000, -0.0000256000000000,  0.0000410900000000 ]  - [   0.0001753700000000,  0.0001704200000000,  0.0001671100000000 ]  - [  -0.0000135700000000,  0.0000628700000000, -0.0000584500000000 ]  - [   0.0000493400000000, -0.0000494300000000, -0.0000416900000000 ]  - [  -0.0000539100000000, -0.0001339200000000,  0.0000071300000000 ]  - [   0.0000635800000000,  0.0000490300000000, -0.0000598300000000 ]  - [   0.0000503400000000,  0.0000424700000000,  0.0000411500000000 ]  - [   0.0001221100000000,  0.0000293500000000,  0.0000606700000000 ]  - [  -0.0005739900000000, -0.0003503700000000, -0.0005771800000000 ]  - [  -0.0000452000000000, -0.0000740300000000,  0.0000806200000000 ]  - [   0.0000782700000000,  0.0000971200000000,  0.0000479200000000 ]  - [   0.0000336100000000, -0.0000270300000000, -0.0000512300000000 ]  - [   0.0004375300000000, -0.0004126200000000,  0.0002897600000000 ]  - [  -0.0003776000000000,  0.0003779600000000,  0.0004473500000000 ]  - [   0.0004791900000000, -0.0004634100000000, -0.0007074900000000 ]  - [   0.0002733900000000,  0.0000416900000000,  0.0000530600000000 ]  - [   0.0001352500000000, -0.0002547400000000, -0.0001566100000000 ]  - [   0.0014034400000000,  0.0015647200000000,  0.0002535300000000 ]  - [   0.0001162800000000, -0.0000884400000000, -0.0000379000000000 ]  - [  -0.0000401900000000,  0.0030682900000000,  0.0001237100000000 ]- atom:   29  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000415000000000,  0.0001412000000000, -0.0000680900000000 ]  - [   0.0002201200000000, -0.0000754900000000,  0.0000399800000000 ]  - [  -0.0001367900000000,  0.0001223900000000, -0.0000910400000000 ]  - [  -0.0004918600000000,  0.0006751300000000,  0.0003552800000000 ]  - [   0.0003356000000000, -0.0004114600000000, -0.0007281500000000 ]  - [  -0.0000663300000000, -0.0000369000000000,  0.0000024400000000 ]  - [   0.0000840700000000, -0.0001410800000000,  0.0004940900000000 ]  - [   0.0001091000000000, -0.0000165000000000, -0.0001983700000000 ]  - [  -0.0007570600000000,  0.0000687700000000, -0.0003997600000000 ]  - [   0.0004833000000000,  0.0001965200000000, -0.0001567200000000 ]  - [  -0.0005622200000000,  0.0013772700000000,  0.0004314300000000 ]  - [  -0.0000180500000000, -0.0001749700000000,  0.0000139000000000 ]  - [   0.0000027100000000,  0.0021894800000000, -0.0002055900000000 ]  - [   0.0001088200000000, -0.0001286900000000,  0.0000862700000000 ]  - [  -0.0001179000000000,  0.0000744000000000,  0.0001723500000000 ]  - [   0.0003051800000000, -0.0000018600000000,  0.0001090000000000 ]  - [  -0.0013867800000000, -0.0007379900000000, -0.0010753100000000 ]  - [   0.0003484300000000, -0.0002413700000000,  0.0000376700000000 ]  - [  -0.0000827000000000, -0.0000461000000000,  0.0000605700000000 ]  - [  -0.0000262600000000,  0.0000640000000000,  0.0001149100000000 ]  - [   0.0000522900000000, -0.0000339100000000, -0.0000482600000000 ]  - [  -0.0008858000000000,  0.0002842100000000,  0.0004359600000000 ]  - [  -0.0000128300000000,  0.0000621600000000,  0.0000234100000000 ]  - [  -0.0000097800000000,  0.0000602100000000, -0.0001501900000000 ]  - [  -0.0000238900000000, -0.0000946800000000, -0.0000584900000000 ]  - [   0.0001475200000000,  0.0000890000000000,  0.0001413900000000 ]  - [   0.0000986600000000, -0.0000207300000000, -0.0001704500000000 ]  - [   0.0000129100000000,  0.0000215200000000,  0.0002774300000000 ]  - [   0.0127329600000000, -0.0005896100000000,  0.0006214800000000 ]  - [  -0.0003630700000000, -0.0001293100000000,  0.0002163300000000 ]  - [   0.0001766100000000, -0.0001610300000000, -0.0001420800000000 ]  - [   0.0003992900000000,  0.0003992000000000,  0.0005478800000000 ]  - [  -0.0000256000000000, -0.0000342500000000, -0.0000205100000000 ]  - [  -0.0035799000000000,  0.0020540200000000,  0.0000707600000000 ]  - [   0.0000048000000000, -0.0000065300000000,  0.0000083800000000 ]  - [  -0.0003650500000000,  0.0006660700000000,  0.0002955600000000 ]  - [  -0.0000401000000000, -0.0005850800000000,  0.0006855700000000 ]  - [  -0.0001319800000000,  0.0000451000000000, -0.0000003700000000 ]  - [  -0.0000636400000000, -0.0001230900000000,  0.0000539500000000 ]  - [  -0.0007560100000000, -0.0006902800000000, -0.0012653000000000 ]  - [  -0.0000966200000000, -0.0000337500000000,  0.0000628700000000 ]  - [  -0.0026004300000000,  0.0000825700000000, -0.0012037300000000 ]  - [   0.0000678200000000, -0.0000150300000000, -0.0000383300000000 ]  - [   0.0000774500000000,  0.0000466600000000,  0.0000297800000000 ]  - [  -0.0000939400000000,  0.0000900000000000, -0.0001824200000000 ]  - [  -0.0006538500000000, -0.0015817400000000, -0.0002567900000000 ]  - [  -0.0001455500000000, -0.0000863100000000,  0.0001076400000000 ]  - [   0.0001533300000000,  0.0000289900000000,  0.0000863700000000 ]  - [  -0.0001360900000000, -0.0000100700000000, -0.0000292100000000 ]  - [  -0.0000691400000000,  0.0007628400000000, -0.0004596700000000 ]  - [  -0.0000455200000000,  0.0001463600000000, -0.0000708200000000 ]  - [  -0.0001302200000000, -0.0004635100000000,  0.0008345000000000 ]  - [  -0.0002672500000000,  0.0000960100000000, -0.0001011900000000 ]  - [   0.0001600100000000,  0.0001649400000000,  0.0001622700000000 ]  - [  -0.0000493400000000,  0.0000598300000000, -0.0000378100000000 ]  - [   0.0000642500000000, -0.0000456700000000, -0.0000199900000000 ]  - [  -0.0000054800000000,  0.0000252100000000,  0.0000897300000000 ]  - [  -0.0000034900000000,  0.0000510900000000,  0.0001290500000000 ]  - [   0.0000672300000000,  0.0000532900000000,  0.0000167100000000 ]  - [  -0.0000300200000000,  0.0000361000000000,  0.0000616500000000 ]  - [   0.0004816600000000,  0.0004273800000000,  0.0003843000000000 ]  - [  -0.0000662000000000, -0.0000114000000000,  0.0001038600000000 ]  - [   0.0000429100000000, -0.0000071700000000,  0.0001278200000000 ]  - [   0.0000657400000000, -0.0000255700000000, -0.0000545400000000 ]  - [   0.0003006300000000, -0.0003281100000000,  0.0004501000000000 ]  - [  -0.0003580300000000,  0.0003644400000000,  0.0002936300000000 ]  - [   0.0002826500000000,  0.0011971100000000, -0.0000379900000000 ]  - [  -0.0010044600000000, -0.0007700800000000, -0.0007890100000000 ]  - [  -0.0000465900000000,  0.0001344300000000,  0.0002357900000000 ]  - [  -0.0015349400000000, -0.0014616200000000, -0.0001429900000000 ]  - [  -0.0000017700000000,  0.0001661400000000, -0.0000934600000000 ]  - [  -0.0001020000000000, -0.0032031300000000, -0.0001754400000000 ]- atom:   29  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001053000000000,  0.0000520600000000, -0.0000915000000000 ]  - [   0.0000297500000000, -0.0000493400000000, -0.0001949100000000 ]  - [   0.0000642300000000, -0.0001955400000000,  0.0001047200000000 ]  - [   0.0001288700000000,  0.0013177800000000,  0.0000376900000000 ]  - [   0.0001638600000000, -0.0000457200000000, -0.0003265200000000 ]  - [  -0.0000239800000000,  0.0001370600000000,  0.0000647900000000 ]  - [  -0.0003424400000000,  0.0002162500000000, -0.0004460500000000 ]  - [   0.0001952100000000, -0.0000706200000000, -0.0001893800000000 ]  - [  -0.0013550500000000,  0.0029698600000000,  0.0027544200000000 ]  - [   0.0001199200000000, -0.0000709400000000,  0.0000155300000000 ]  - [  -0.0002620400000000,  0.0011204500000000, -0.0001179700000000 ]  - [  -0.0001757100000000, -0.0001254700000000, -0.0001455300000000 ]  - [  -0.0003126000000000, -0.0003138000000000,  0.0003467800000000 ]  - [   0.0001056300000000, -0.0001429600000000,  0.0001255600000000 ]  - [  -0.0000505500000000,  0.0000559100000000,  0.0000220600000000 ]  - [  -0.0000859500000000, -0.0002403000000000, -0.0000365800000000 ]  - [  -0.0002488100000000,  0.0000624100000000, -0.0010443800000000 ]  - [   0.0001613300000000, -0.0000214300000000,  0.0001004100000000 ]  - [  -0.0001056100000000, -0.0000305500000000, -0.0000572800000000 ]  - [  -0.0000432300000000,  0.0000453200000000, -0.0000276800000000 ]  - [   0.0000075800000000, -0.0001084100000000, -0.0000197200000000 ]  - [   0.0008858800000000,  0.0020666400000000,  0.0026493600000000 ]  - [  -0.0000275000000000, -0.0002514400000000,  0.0000803100000000 ]  - [  -0.0000266500000000,  0.0000622900000000,  0.0000371900000000 ]  - [  -0.0003146900000000, -0.0000271400000000,  0.0000404900000000 ]  - [  -0.0000022400000000, -0.0000605600000000, -0.0000687800000000 ]  - [  -0.0000645900000000, -0.0000416100000000, -0.0000060700000000 ]  - [  -0.0003381000000000,  0.0000442000000000, -0.0004865900000000 ]  - [   0.0004819800000000, -0.0147593800000000, -0.0019472400000000 ]  - [  -0.0001074100000000, -0.0002154200000000,  0.0000974200000000 ]  - [   0.0001537100000000,  0.0000171300000000, -0.0000719000000000 ]  - [  -0.0004512000000000, -0.0001980700000000,  0.0010655700000000 ]  - [   0.0000789200000000,  0.0000396500000000,  0.0000562000000000 ]  - [  -0.0018951000000000,  0.0000154400000000,  0.0000565600000000 ]  - [  -0.0000110700000000, -0.0000080300000000, -0.0000110000000000 ]  - [  -0.0006789400000000,  0.0005900600000000,  0.0003203000000000 ]  - [   0.0006977300000000,  0.0003293900000000, -0.0011867600000000 ]  - [  -0.0000602400000000,  0.0001135000000000, -0.0000434800000000 ]  - [  -0.0000435200000000, -0.0001079100000000,  0.0000340800000000 ]  - [   0.0008150900000000, -0.0000302200000000,  0.0009115800000000 ]  - [  -0.0001523300000000, -0.0000392600000000,  0.0000313000000000 ]  - [  -0.0001966100000000, -0.0006606000000000, -0.0002642500000000 ]  - [   0.0000598600000000, -0.0001241900000000, -0.0000877500000000 ]  - [   0.0000255000000000,  0.0004103700000000,  0.0000817200000000 ]  - [  -0.0001956000000000,  0.0001260500000000, -0.0002176800000000 ]  - [   0.0015008400000000,  0.0011160300000000,  0.0000450000000000 ]  - [  -0.0000686900000000, -0.0000902600000000,  0.0000746000000000 ]  - [   0.0003062500000000,  0.0003436100000000,  0.0002317000000000 ]  - [  -0.0002204000000000, -0.0000342000000000,  0.0000316800000000 ]  - [  -0.0006887000000000,  0.0012689100000000, -0.0010155700000000 ]  - [  -0.0000808900000000,  0.0000990700000000, -0.0001201600000000 ]  - [   0.0003244100000000, -0.0001010800000000, -0.0006808700000000 ]  - [   0.0000051600000000,  0.0000777500000000, -0.0000011500000000 ]  - [   0.0001549400000000,  0.0001457000000000,  0.0001683700000000 ]  - [  -0.0000087900000000,  0.0000686300000000, -0.0000172100000000 ]  - [   0.0000912400000000, -0.0001104100000000, -0.0000258800000000 ]  - [  -0.0001355300000000,  0.0000511800000000,  0.0001957800000000 ]  - [   0.0000433900000000,  0.0000816000000000,  0.0001443300000000 ]  - [  -0.0000163800000000,  0.0000390000000000,  0.0000291400000000 ]  - [   0.0001478800000000,  0.0000428300000000,  0.0000747300000000 ]  - [  -0.0005106000000000,  0.0008754900000000,  0.0017242100000000 ]  - [  -0.0000130600000000, -0.0000358000000000,  0.0001271600000000 ]  - [   0.0002556000000000,  0.0001498100000000, -0.0000142500000000 ]  - [  -0.0000330400000000,  0.0000621200000000,  0.0001120300000000 ]  - [   0.0003627300000000, -0.0002683500000000,  0.0003519900000000 ]  - [  -0.0003405100000000,  0.0003734800000000,  0.0003634300000000 ]  - [  -0.0002171300000000,  0.0012770500000000, -0.0022861500000000 ]  - [  -0.0002758500000000, -0.0006094600000000, -0.0001046900000000 ]  - [  -0.0000515800000000, -0.0000151000000000,  0.0000963400000000 ]  - [  -0.0001922200000000,  0.0002655400000000,  0.0002271500000000 ]  - [   0.0001284800000000,  0.0000589300000000, -0.0001328300000000 ]  - [   0.0030344200000000,  0.0030150200000000, -0.0015439300000000 ]- atom:   29  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000475000000000,  0.0001088400000000, -0.0000787100000000 ]  - [   0.0001355800000000, -0.0001131600000000,  0.0000440400000000 ]  - [  -0.0002713300000000, -0.0000041400000000,  0.0001018800000000 ]  - [   0.0000205200000000, -0.0011680300000000,  0.0001068700000000 ]  - [  -0.0003485200000000, -0.0000167900000000,  0.0002654500000000 ]  - [  -0.0001254800000000,  0.0001012000000000,  0.0001579800000000 ]  - [   0.0005385800000000, -0.0001126500000000,  0.0004062300000000 ]  - [  -0.0001184600000000,  0.0001946100000000,  0.0000035800000000 ]  - [   0.0013119400000000, -0.0029671800000000, -0.0027294600000000 ]  - [  -0.0000754100000000, -0.0001227100000000,  0.0000014100000000 ]  - [   0.0002484400000000, -0.0011615700000000, -0.0000674100000000 ]  - [  -0.0000180400000000, -0.0000418800000000, -0.0000930200000000 ]  - [   0.0003830600000000,  0.0002624500000000, -0.0001561800000000 ]  - [   0.0001401000000000, -0.0000998200000000,  0.0000465300000000 ]  - [  -0.0000679000000000,  0.0001207000000000,  0.0000592300000000 ]  - [   0.0002570300000000,  0.0002234800000000, -0.0000005700000000 ]  - [   0.0003463700000000, -0.0001465300000000,  0.0009710300000000 ]  - [  -0.0000731900000000,  0.0001247500000000, -0.0000632300000000 ]  - [  -0.0000087700000000, -0.0000801700000000,  0.0000940300000000 ]  - [   0.0001390000000000, -0.0000048400000000,  0.0001230100000000 ]  - [   0.0000515600000000,  0.0000016700000000, -0.0000973200000000 ]  - [  -0.0008508900000000, -0.0017615100000000, -0.0025222600000000 ]  - [  -0.0000838200000000,  0.0002196100000000,  0.0000305800000000 ]  - [   0.0000085900000000,  0.0000290500000000, -0.0001314300000000 ]  - [   0.0001944000000000,  0.0000955500000000, -0.0001636400000000 ]  - [   0.0000883300000000,  0.0000501300000000, -0.0000160100000000 ]  - [   0.0000587200000000, -0.0000583900000000,  0.0000906100000000 ]  - [   0.0002422700000000,  0.0000505500000000,  0.0004624800000000 ]  - [  -0.0005683800000000,  0.0145016300000000,  0.0020916700000000 ]  - [  -0.0001808800000000, -0.0001088400000000,  0.0001813700000000 ]  - [   0.0001126500000000, -0.0003261400000000, -0.0002738800000000 ]  - [   0.0001096300000000,  0.0005205500000000, -0.0013229800000000 ]  - [  -0.0000419300000000, -0.0000475200000000, -0.0000338700000000 ]  - [   0.0018518600000000, -0.0001125900000000, -0.0000114600000000 ]  - [   0.0000073600000000, -0.0000105800000000, -0.0000573000000000 ]  - [   0.0006180500000000, -0.0005345700000000, -0.0003257400000000 ]  - [  -0.0004612900000000, -0.0004721200000000,  0.0010303500000000 ]  - [  -0.0001125600000000,  0.0000902600000000, -0.0000644900000000 ]  - [  -0.0000397500000000, -0.0001415600000000,  0.0000476300000000 ]  - [  -0.0006581400000000,  0.0001266100000000, -0.0005681400000000 ]  - [  -0.0001021300000000, -0.0000312600000000,  0.0000473900000000 ]  - [   0.0003077000000000,  0.0005035300000000,  0.0000198200000000 ]  - [   0.0001005100000000, -0.0001143200000000, -0.0000426000000000 ]  - [   0.0000669500000000, -0.0000617000000000,  0.0000917700000000 ]  - [  -0.0000979300000000,  0.0001565400000000, -0.0000692100000000 ]  - [  -0.0011771500000000, -0.0014325900000000, -0.0003586100000000 ]  - [  -0.0001038000000000, -0.0000830900000000,  0.0000974400000000 ]  - [   0.0000976300000000,  0.0000630000000000,  0.0001754200000000 ]  - [   0.0000172300000000, -0.0000394100000000,  0.0001045800000000 ]  - [   0.0003663300000000, -0.0011900100000000,  0.0007972100000000 ]  - [  -0.0000506400000000,  0.0000682300000000, -0.0000884400000000 ]  - [  -0.0002519000000000, -0.0001032700000000,  0.0003573900000000 ]  - [  -0.0001108600000000,  0.0001196700000000, -0.0000493800000000 ]  - [   0.0001777600000000,  0.0001474200000000,  0.0001644600000000 ]  - [  -0.0000393900000000, -0.0000290900000000,  0.0000093500000000 ]  - [   0.0000577100000000, -0.0000595600000000, -0.0000491900000000 ]  - [   0.0000876000000000, -0.0001409300000000, -0.0000245900000000 ]  - [   0.0000336800000000,  0.0000817300000000,  0.0000630100000000 ]  - [   0.0000524300000000, -0.0000352500000000,  0.0000142600000000 ]  - [   0.0000133500000000,  0.0000147800000000,  0.0000464300000000 ]  - [   0.0002997400000000, -0.0007567300000000, -0.0018886400000000 ]  - [  -0.0000511700000000, -0.0000422800000000,  0.0001180700000000 ]  - [   0.0000973200000000,  0.0000190400000000,  0.0001142200000000 ]  - [   0.0000363800000000, -0.0000917100000000, -0.0001271800000000 ]  - [   0.0003732600000000, -0.0004878600000000,  0.0004215800000000 ]  - [  -0.0004410400000000,  0.0003994500000000,  0.0003840900000000 ]  - [   0.0010220600000000, -0.0005130800000000,  0.0014834400000000 ]  - [  -0.0004703000000000, -0.0001484000000000, -0.0006322600000000 ]  - [   0.0001432600000000, -0.0001546500000000, -0.0000577300000000 ]  - [   0.0000850500000000, -0.0001309500000000, -0.0001382200000000 ]  - [  -0.0000837500000000,  0.0000549300000000,  0.0000126800000000 ]  - [  -0.0031677500000000, -0.0031905000000000,  0.0014645200000000 ]- atom:   29  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000579200000000,  0.0000461600000000, -0.0000445800000000 ]  - [  -0.0000488200000000, -0.0001463000000000, -0.0002061300000000 ]  - [  -0.0001377600000000, -0.0000550400000000,  0.0002205300000000 ]  - [  -0.0008594500000000, -0.0012214100000000,  0.0007303000000000 ]  - [   0.0004921500000000, -0.0004621500000000, -0.0006122500000000 ]  - [   0.0000197700000000, -0.0000894100000000, -0.0000762100000000 ]  - [  -0.0000227200000000,  0.0000163900000000,  0.0001650400000000 ]  - [   0.0002800900000000,  0.0000014800000000, -0.0002580000000000 ]  - [  -0.0003539100000000,  0.0008655800000000,  0.0019283900000000 ]  - [  -0.0000374200000000, -0.0001685100000000, -0.0000432400000000 ]  - [   0.0001697900000000,  0.0005017400000000,  0.0014352300000000 ]  - [  -0.0000370800000000, -0.0000562800000000, -0.0000692700000000 ]  - [  -0.0000027000000000,  0.0002683000000000,  0.0009668100000000 ]  - [   0.0000119100000000, -0.0000378600000000,  0.0000595600000000 ]  - [  -0.0000857600000000,  0.0001369300000000,  0.0000204800000000 ]  - [   0.0002547400000000,  0.0000083600000000,  0.0000427900000000 ]  - [   0.0007898600000000,  0.0014125500000000,  0.0029571800000000 ]  - [  -0.0000308300000000,  0.0001836100000000,  0.0000389000000000 ]  - [  -0.0000444600000000, -0.0000122500000000, -0.0000204900000000 ]  - [   0.0000035500000000, -0.0000758800000000, -0.0002454200000000 ]  - [   0.0000350400000000, -0.0000166100000000, -0.0000864200000000 ]  - [   0.0000456500000000,  0.0001671200000000,  0.0010839100000000 ]  - [  -0.0000533700000000, -0.0000262400000000,  0.0000808900000000 ]  - [   0.0000735000000000,  0.0001098100000000, -0.0000250100000000 ]  - [   0.0001134300000000,  0.0000017200000000,  0.0000793500000000 ]  - [   0.0002791600000000, -0.0001461000000000, -0.0002442100000000 ]  - [  -0.0001652400000000, -0.0000277700000000, -0.0001516300000000 ]  - [  -0.0002837300000000,  0.0000227900000000, -0.0002378900000000 ]  - [  -0.0005495100000000, -0.0019679400000000, -0.0152629400000000 ]  - [  -0.0001849500000000, -0.0001674900000000,  0.0002145900000000 ]  - [   0.0001894000000000, -0.0000781600000000, -0.0001769300000000 ]  - [  -0.0009499700000000,  0.0014657600000000,  0.0032096400000000 ]  - [  -0.0000406100000000, -0.0000540900000000,  0.0000014700000000 ]  - [  -0.0003936000000000,  0.0001899800000000, -0.0008462100000000 ]  - [  -0.0000186600000000, -0.0000075400000000,  0.0000772900000000 ]  - [  -0.0001296100000000,  0.0002232400000000, -0.0000543000000000 ]  - [  -0.0006483500000000, -0.0011037200000000,  0.0010283000000000 ]  - [  -0.0000585000000000,  0.0000191900000000, -0.0000196700000000 ]  - [  -0.0000446000000000, -0.0000364300000000,  0.0000699200000000 ]  - [   0.0013469800000000,  0.0009125100000000,  0.0008068200000000 ]  - [  -0.0000542200000000, -0.0001024700000000,  0.0002036900000000 ]  - [   0.0013197400000000, -0.0001812800000000, -0.0000213900000000 ]  - [   0.0000868900000000, -0.0000124200000000, -0.0000395900000000 ]  - [   0.0001970300000000, -0.0000318800000000,  0.0000506700000000 ]  - [  -0.0001431300000000,  0.0001355600000000,  0.0000930300000000 ]  - [   0.0003343300000000,  0.0001540700000000, -0.0005367700000000 ]  - [  -0.0000878600000000, -0.0001895000000000,  0.0001788500000000 ]  - [   0.0000533700000000,  0.0000227900000000,  0.0000006800000000 ]  - [   0.0000288500000000, -0.0000529600000000,  0.0000534800000000 ]  - [   0.0003661100000000, -0.0009235300000000,  0.0001705000000000 ]  - [  -0.0000109000000000,  0.0000221300000000, -0.0000226000000000 ]  - [  -0.0009158400000000, -0.0007393100000000,  0.0013012700000000 ]  - [  -0.0001874600000000,  0.0000894900000000, -0.0000828300000000 ]  - [   0.0001651900000000,  0.0001641800000000,  0.0001767200000000 ]  - [  -0.0000270500000000,  0.0000832100000000, -0.0000641700000000 ]  - [   0.0000464800000000, -0.0000465900000000, -0.0000400100000000 ]  - [  -0.0000582900000000, -0.0000554900000000,  0.0000530600000000 ]  - [  -0.0000096200000000,  0.0000583700000000,  0.0001506100000000 ]  - [   0.0000646100000000,  0.0000788600000000,  0.0000649400000000 ]  - [   0.0000675200000000,  0.0000415500000000,  0.0000718300000000 ]  - [  -0.0004925500000000,  0.0019135800000000,  0.0019404200000000 ]  - [  -0.0001008600000000, -0.0000239800000000,  0.0000738000000000 ]  - [  -0.0001040000000000, -0.0000357300000000,  0.0001650100000000 ]  - [   0.0000872200000000,  0.0000097200000000, -0.0000669900000000 ]  - [   0.0003599500000000, -0.0004846200000000,  0.0003537500000000 ]  - [  -0.0003166600000000,  0.0003367200000000,  0.0004690700000000 ]  - [  -0.0001522200000000, -0.0013686200000000, -0.0015979100000000 ]  - [   0.0007539400000000,  0.0008191000000000,  0.0008421500000000 ]  - [  -0.0001276200000000,  0.0001466200000000,  0.0004422500000000 ]  - [  -0.0007532200000000, -0.0004283600000000,  0.0001290900000000 ]  - [   0.0000339000000000,  0.0001081600000000,  0.0000134200000000 ]  - [   0.0007108700000000, -0.0001034400000000, -0.0010626000000000 ]- atom:   29  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0001046500000000,  0.0001027200000000, -0.0001066700000000 ]  - [   0.0002055700000000, -0.0000197600000000,  0.0000427800000000 ]  - [  -0.0000203500000000, -0.0001212800000000, -0.0000448500000000 ]  - [   0.0011164700000000,  0.0014005500000000, -0.0003704400000000 ]  - [  -0.0006681400000000,  0.0003036600000000,  0.0004596800000000 ]  - [  -0.0002040000000000,  0.0001515500000000,  0.0001474500000000 ]  - [   0.0001885600000000, -0.0003119900000000,  0.0001097200000000 ]  - [  -0.0001302400000000,  0.0001587600000000,  0.0000994000000000 ]  - [   0.0006564400000000, -0.0007291100000000, -0.0022616400000000 ]  - [   0.0001188800000000, -0.0000131900000000,  0.0000923400000000 ]  - [  -0.0002385800000000, -0.0006210100000000, -0.0016366500000000 ]  - [  -0.0000514400000000, -0.0001096200000000,  0.0000063100000000 ]  - [  -0.0002247700000000, -0.0000460100000000, -0.0007936000000000 ]  - [   0.0000398700000000, -0.0000298300000000,  0.0001312900000000 ]  - [  -0.0000126500000000,  0.0000585300000000,  0.0000521900000000 ]  - [  -0.0000725300000000,  0.0000868700000000, -0.0001650400000000 ]  - [  -0.0007460500000000, -0.0014226600000000, -0.0031071400000000 ]  - [   0.0001290900000000, -0.0000980800000000, -0.0000217700000000 ]  - [  -0.0000455100000000, -0.0000471800000000,  0.0000148900000000 ]  - [   0.0000713100000000,  0.0000762300000000,  0.0003363300000000 ]  - [  -0.0000275300000000, -0.0000861100000000,  0.0000019500000000 ]  - [  -0.0000210200000000, -0.0000586900000000, -0.0010211800000000 ]  - [  -0.0000207300000000,  0.0000039600000000,  0.0000158300000000 ]  - [  -0.0000780400000000, -0.0000121300000000, -0.0000411600000000 ]  - [  -0.0001933000000000,  0.0000223400000000, -0.0001747000000000 ]  - [  -0.0002160200000000,  0.0001085100000000,  0.0001193800000000 ]  - [   0.0001245400000000, -0.0000818900000000,  0.0002141700000000 ]  - [   0.0001672000000000,  0.0000427200000000,  0.0002108600000000 ]  - [   0.0004803900000000,  0.0020076900000000,  0.0153036300000000 ]  - [  -0.0001744800000000, -0.0001501200000000,  0.0001558500000000 ]  - [   0.0001704000000000, -0.0002655900000000, -0.0001307400000000 ]  - [   0.0006554200000000, -0.0011466800000000, -0.0036018900000000 ]  - [   0.0000140600000000,  0.0000473900000000, -0.0000115900000000 ]  - [   0.0004272800000000, -0.0001187800000000,  0.0008196300000000 ]  - [  -0.0000093800000000,  0.0000371600000000, -0.0000013000000000 ]  - [   0.0002024600000000, -0.0002627600000000,  0.0000790800000000 ]  - [   0.0007767600000000,  0.0010245200000000, -0.0012081000000000 ]  - [  -0.0001111200000000,  0.0000598700000000, -0.0000674300000000 ]  - [  -0.0000467800000000, -0.0001046300000000,  0.0000725600000000 ]  - [  -0.0013195700000000, -0.0006720100000000, -0.0008760400000000 ]  - [  -0.0000993000000000, -0.0000735400000000, -0.0000954600000000 ]  - [  -0.0012310300000000, -0.0000043400000000, -0.0001043000000000 ]  - [   0.0000826900000000, -0.0000722200000000, -0.0000399700000000 ]  - [   0.0000631300000000,  0.0000031100000000, -0.0000108100000000 ]  - [  -0.0000952900000000,  0.0000994000000000, -0.0003340500000000 ]  - [  -0.0000821800000000, -0.0004034800000000,  0.0002761200000000 ]  - [  -0.0001944400000000, -0.0001013800000000,  0.0001039200000000 ]  - [   0.0000700200000000,  0.0000982800000000,  0.0001159700000000 ]  - [  -0.0001437400000000, -0.0000155600000000,  0.0000742500000000 ]  - [  -0.0003035300000000,  0.0009582900000000, -0.0002042800000000 ]  - [  -0.0000666600000000,  0.0001715300000000, -0.0000922700000000 ]  - [   0.0009555800000000,  0.0006852100000000, -0.0012272100000000 ]  - [   0.0000164500000000,  0.0000138000000000, -0.0000068800000000 ]  - [   0.0001535100000000,  0.0001816600000000,  0.0001582700000000 ]  - [  -0.0000275200000000,  0.0000665900000000, -0.0000858800000000 ]  - [   0.0000662400000000, -0.0000380500000000, -0.0000226200000000 ]  - [  -0.0000193700000000, -0.0000872700000000,  0.0000456300000000 ]  - [   0.0000748100000000,  0.0000521400000000, -0.0000322300000000 ]  - [   0.0000819600000000,  0.0000819500000000, -0.0000050300000000 ]  - [   0.0000405000000000,  0.0000266400000000,  0.0000435300000000 ]  - [   0.0003776800000000, -0.0018024100000000, -0.0021070300000000 ]  - [  -0.0000485000000000, -0.0000683100000000,  0.0000752500000000 ]  - [   0.0000466700000000,  0.0000555900000000,  0.0000933800000000 ]  - [   0.0000684000000000, -0.0000805500000000, -0.0001106500000000 ]  - [   0.0003648900000000, -0.0002490700000000,  0.0003667900000000 ]  - [  -0.0003809200000000,  0.0003782500000000,  0.0002443100000000 ]  - [   0.0009253000000000,  0.0021057400000000,  0.0008416400000000 ]  - [  -0.0014930400000000, -0.0015542400000000, -0.0015816300000000 ]  - [   0.0001206000000000, -0.0002140500000000, -0.0001886000000000 ]  - [   0.0007185100000000,  0.0005423900000000,  0.0000650700000000 ]  - [   0.0000933700000000, -0.0000270200000000, -0.0001175000000000 ]  - [  -0.0009425500000000,  0.0001070200000000,  0.0010188900000000 ]- atom:   30  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000854400000000,  0.0002254900000000, -0.0001667600000000 ]  - [   0.0001808300000000, -0.0000514400000000, -0.0000853700000000 ]  - [  -0.0001561000000000, -0.0000603100000000,  0.0000776700000000 ]  - [  -0.0004944700000000,  0.0002680000000000,  0.0003362100000000 ]  - [   0.0026576500000000,  0.0015001700000000,  0.0001024900000000 ]  - [  -0.0001399300000000,  0.0000173600000000,  0.0000686400000000 ]  - [   0.0000255500000000, -0.0000636900000000,  0.0001640200000000 ]  - [   0.0001269800000000, -0.0000191100000000, -0.0001321200000000 ]  - [  -0.0001190900000000,  0.0002709500000000, -0.0000728900000000 ]  - [   0.0008522800000000, -0.0010389600000000,  0.0004671300000000 ]  - [  -0.0000362600000000,  0.0000878800000000, -0.0004644500000000 ]  - [  -0.0001614200000000, -0.0001292000000000, -0.0000353700000000 ]  - [   0.0025400400000000, -0.0000851100000000, -0.0024732300000000 ]  - [   0.0001444100000000, -0.0001335600000000,  0.0001158000000000 ]  - [   0.0000848300000000,  0.0001706200000000, -0.0000449600000000 ]  - [   0.0000716300000000,  0.0000102600000000, -0.0001585900000000 ]  - [   0.0000132800000000, -0.0001245300000000,  0.0000549100000000 ]  - [   0.0009251000000000, -0.0015360000000000, -0.0005208500000000 ]  - [  -0.0000984800000000, -0.0001014800000000, -0.0000406500000000 ]  - [   0.0000211600000000,  0.0000669400000000, -0.0001736700000000 ]  - [   0.0000033800000000, -0.0001208400000000,  0.0000316800000000 ]  - [  -0.0000616500000000, -0.0000405200000000,  0.0001085000000000 ]  - [   0.0000245400000000,  0.0000128600000000, -0.0000370000000000 ]  - [   0.0007646400000000,  0.0000032400000000, -0.0006482300000000 ]  - [   0.0000301000000000,  0.0000269600000000, -0.0000530600000000 ]  - [  -0.0006558600000000,  0.0006466600000000,  0.0000613500000000 ]  - [  -0.0002143900000000,  0.0000833800000000, -0.0000839900000000 ]  - [  -0.0002266100000000, -0.0001177400000000,  0.0000685500000000 ]  - [   0.0001144400000000, -0.0000588200000000,  0.0000415400000000 ]  - [  -0.0181803200000000,  0.0013406700000000, -0.0013246600000000 ]  - [   0.0001839900000000, -0.0001970300000000, -0.0001451600000000 ]  - [  -0.0001386700000000,  0.0002001100000000, -0.0001934100000000 ]  - [  -0.0000257600000000, -0.0000784800000000, -0.0000695200000000 ]  - [   0.0007602100000000,  0.0013677600000000, -0.0013793600000000 ]  - [   0.0000322900000000, -0.0000646300000000,  0.0000330700000000 ]  - [   0.0000479700000000,  0.0000467600000000,  0.0000754400000000 ]  - [   0.0000330400000000, -0.0000651500000000, -0.0001229100000000 ]  - [  -0.0012172900000000,  0.0003179200000000,  0.0007014000000000 ]  - [  -0.0000231100000000, -0.0001118100000000,  0.0000234900000000 ]  - [   0.0001169700000000,  0.0000509900000000,  0.0000451600000000 ]  - [   0.0000140500000000, -0.0000022700000000,  0.0000453800000000 ]  - [   0.0055268900000000, -0.0009584200000000,  0.0017911600000000 ]  - [   0.0001133700000000, -0.0000993500000000, -0.0000468000000000 ]  - [   0.0000854300000000,  0.0000871700000000,  0.0000496000000000 ]  - [  -0.0000579800000000,  0.0001605000000000, -0.0000526600000000 ]  - [   0.0001669900000000, -0.0002185300000000, -0.0000580100000000 ]  - [   0.0005758200000000,  0.0011271300000000, -0.0011182200000000 ]  - [   0.0001555900000000,  0.0000496900000000,  0.0001036800000000 ]  - [  -0.0000968200000000, -0.0000161400000000,  0.0000940700000000 ]  - [   0.0000833400000000,  0.0001326100000000, -0.0000825400000000 ]  - [  -0.0000384600000000,  0.0000543200000000, -0.0000845300000000 ]  - [   0.0034650300000000, -0.0007968000000000,  0.0010995100000000 ]  - [  -0.0006167800000000,  0.0003209500000000,  0.0007902000000000 ]  - [   0.0001212000000000,  0.0001388900000000,  0.0002002200000000 ]  - [  -0.0000285300000000,  0.0000468400000000, -0.0000300500000000 ]  - [   0.0000465600000000, -0.0000949400000000, -0.0000317700000000 ]  - [  -0.0000076100000000, -0.0000048000000000,  0.0000216700000000 ]  - [   0.0000031800000000,  0.0000847600000000, -0.0000678000000000 ]  - [   0.0000529000000000,  0.0000081100000000,  0.0000143400000000 ]  - [  -0.0003052200000000, -0.0012771600000000, -0.0001712000000000 ]  - [   0.0000585600000000,  0.0001252100000000, -0.0000523000000000 ]  - [  -0.0000854100000000, -0.0000491300000000,  0.0001491700000000 ]  - [  -0.0005843500000000, -0.0017391700000000, -0.0001491800000000 ]  - [   0.0000417000000000, -0.0000402600000000, -0.0000424100000000 ]  - [   0.0001786700000000,  0.0008803000000000,  0.0009294800000000 ]  - [  -0.0001694800000000,  0.0005701500000000,  0.0009729400000000 ]  - [   0.0004131200000000,  0.0004367500000000, -0.0003398500000000 ]  - [   0.0012854100000000, -0.0010755300000000, -0.0000364800000000 ]  - [  -0.0000204600000000,  0.0008012600000000,  0.0011183900000000 ]  - [   0.0005183600000000,  0.0000535300000000,  0.0007645900000000 ]  - [   0.0000318700000000,  0.0000962400000000,  0.0000039800000000 ]  - [   0.0011817400000000, -0.0013184700000000,  0.0000646100000000 ]- atom:   30  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002601300000000, -0.0000560300000000, -0.0000003700000000 ]  - [   0.0000099900000000, -0.0001336400000000, -0.0001066200000000 ]  - [  -0.0000222500000000, -0.0001184500000000,  0.0000982300000000 ]  - [   0.0006369200000000, -0.0001190300000000, -0.0001875000000000 ]  - [  -0.0027779500000000, -0.0015648700000000, -0.0002263700000000 ]  - [  -0.0000369200000000,  0.0001811200000000,  0.0001286100000000 ]  - [   0.0001642800000000, -0.0000254000000000, -0.0000650800000000 ]  - [   0.0000244200000000,  0.0001671000000000, -0.0000430100000000 ]  - [   0.0002686000000000, -0.0000708500000000, -0.0000406000000000 ]  - [  -0.0005796900000000,  0.0008963900000000, -0.0001818500000000 ]  - [  -0.0002881300000000, -0.0003683500000000,  0.0002853500000000 ]  - [  -0.0000362800000000, -0.0000418000000000, -0.0001890300000000 ]  - [  -0.0024809200000000,  0.0001312000000000,  0.0025315600000000 ]  - [   0.0001043800000000, -0.0001259800000000,  0.0000710600000000 ]  - [  -0.0002338400000000,  0.0000048600000000,  0.0001721900000000 ]  - [   0.0000891800000000,  0.0003029400000000, -0.0001624800000000 ]  - [   0.0001036800000000,  0.0000703900000000, -0.0000586200000000 ]  - [  -0.0008545000000000,  0.0015448700000000,  0.0005130500000000 ]  - [  -0.0000060400000000,  0.0000422900000000,  0.0000458100000000 ]  - [   0.0000483900000000, -0.0000497400000000,  0.0002780600000000 ]  - [   0.0000000600000000,  0.0000098800000000, -0.0000880000000000 ]  - [   0.0000653500000000,  0.0001362700000000, -0.0000544700000000 ]  - [  -0.0000559300000000, -0.0000027200000000,  0.0001377100000000 ]  - [  -0.0007641100000000,  0.0000976500000000,  0.0006094700000000 ]  - [  -0.0000753100000000, -0.0000144500000000, -0.0000549100000000 ]  - [   0.0006440000000000, -0.0006072900000000, -0.0001195400000000 ]  - [   0.0002233100000000, -0.0001841500000000,  0.0001226900000000 ]  - [   0.0001368300000000,  0.0001683100000000, -0.0000557400000000 ]  - [  -0.0002874300000000, -0.0000655000000000,  0.0000419100000000 ]  - [   0.0178050700000000, -0.0017501600000000,  0.0017736100000000 ]  - [   0.0001447800000000, -0.0001550800000000, -0.0002116900000000 ]  - [  -0.0002531700000000,  0.0001302900000000, -0.0001570400000000 ]  - [  -0.0000682400000000, -0.0000129700000000, -0.0000601100000000 ]  - [  -0.0006495800000000, -0.0013001900000000,  0.0013165300000000 ]  - [  -0.0001228300000000,  0.0001412000000000,  0.0000269100000000 ]  - [  -0.0000042200000000, -0.0001507300000000,  0.0000198500000000 ]  - [  -0.0001506000000000,  0.0000548500000000, -0.0001443900000000 ]  - [   0.0010383700000000, -0.0002992000000000, -0.0007814500000000 ]  - [  -0.0000062800000000, -0.0001064100000000, -0.0000455900000000 ]  - [  -0.0000390500000000,  0.0000912800000000,  0.0000220000000000 ]  - [  -0.0002273900000000,  0.0000558600000000, -0.0000271100000000 ]  - [  -0.0056221800000000,  0.0007151300000000, -0.0016725900000000 ]  - [   0.0001498000000000,  0.0002281800000000,  0.0000398700000000 ]  - [   0.0000672000000000,  0.0000015200000000,  0.0000198900000000 ]  - [  -0.0001521800000000,  0.0000473100000000, -0.0001693200000000 ]  - [  -0.0000817000000000,  0.0001287500000000, -0.0000250700000000 ]  - [  -0.0007331700000000, -0.0013006100000000,  0.0012890800000000 ]  - [   0.0001042000000000,  0.0002038200000000,  0.0001436700000000 ]  - [   0.0002025500000000, -0.0000366100000000, -0.0000701100000000 ]  - [  -0.0001973100000000, -0.0000572400000000, -0.0000740500000000 ]  - [  -0.0000216000000000,  0.0001260900000000,  0.0000439700000000 ]  - [  -0.0033530900000000,  0.0006378400000000, -0.0011971400000000 ]  - [   0.0006016500000000, -0.0004326100000000, -0.0008294200000000 ]  - [   0.0002518600000000,  0.0002253100000000,  0.0001333700000000 ]  - [  -0.0000397900000000,  0.0000584100000000,  0.0000239800000000 ]  - [   0.0000825100000000,  0.0000340300000000, -0.0000328500000000 ]  - [  -0.0000451700000000, -0.0001070900000000,  0.0000373000000000 ]  - [   0.0000536700000000, -0.0000388200000000, -0.0000535000000000 ]  - [   0.0000347500000000, -0.0000241900000000,  0.0000334900000000 ]  - [   0.0003695600000000,  0.0013415800000000,  0.0003265100000000 ]  - [  -0.0000708000000000, -0.0000847100000000, -0.0001199800000000 ]  - [   0.0001289200000000,  0.0000091200000000,  0.0000473000000000 ]  - [   0.0006519000000000,  0.0018201900000000,  0.0003099400000000 ]  - [  -0.0000451800000000, -0.0000097100000000, -0.0000353200000000 ]  - [   0.0005379800000000, -0.0016284700000000, -0.0002038600000000 ]  - [  -0.0005915400000000,  0.0001580200000000, -0.0002495900000000 ]  - [   0.0003077100000000,  0.0002849400000000, -0.0003991400000000 ]  - [  -0.0019936600000000,  0.0003482000000000, -0.0006753500000000 ]  - [   0.0001275600000000, -0.0008929500000000, -0.0009820600000000 ]  - [  -0.0006124600000000,  0.0000365500000000, -0.0005591900000000 ]  - [   0.0000128800000000,  0.0000901600000000, -0.0001238200000000 ]  - [  -0.0013516400000000,  0.0012141400000000, -0.0001090000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000692400000000, -0.0000783000000000,  0.0001007700000000 ]  - [  -0.0000560600000000,  0.0002069000000000, -0.0001553800000000 ]  - [  -0.0005253300000000, -0.0000021800000000,  0.0004072600000000 ]  - [   0.0005393300000000,  0.0002328200000000,  0.0004124200000000 ]  - [  -0.0002993400000000, -0.0002326400000000, -0.0001267000000000 ]  - [  -0.0001384200000000,  0.0001196800000000,  0.0000890100000000 ]  - [   0.0000931700000000, -0.0001206900000000,  0.0000742900000000 ]  - [  -0.0001847200000000,  0.0002138500000000,  0.0000084600000000 ]  - [   0.0000960300000000,  0.0001145400000000, -0.0001588500000000 ]  - [  -0.0000665900000000, -0.0000212500000000, -0.0000427100000000 ]  - [   0.0000911500000000, -0.0000387100000000, -0.0000254200000000 ]  - [  -0.0000882500000000,  0.0000664200000000,  0.0000264100000000 ]  - [  -0.0000460000000000,  0.0001194400000000,  0.0000028800000000 ]  - [   0.0005860800000000, -0.0006275700000000,  0.0001176000000000 ]  - [   0.0054009600000000,  0.0007074600000000,  0.0016366400000000 ]  - [   0.0008810800000000,  0.0002444600000000,  0.0003432400000000 ]  - [  -0.0001214100000000, -0.0000451500000000, -0.0000232200000000 ]  - [   0.0000311000000000,  0.0000400200000000, -0.0000079200000000 ]  - [  -0.0000840800000000, -0.0001616000000000,  0.0000399600000000 ]  - [  -0.0000284200000000, -0.0000078500000000, -0.0000278000000000 ]  - [   0.0000811400000000, -0.0000808200000000, -0.0001217700000000 ]  - [  -0.0000523900000000,  0.0000412200000000,  0.0000184000000000 ]  - [  -0.0000250400000000,  0.0000087300000000,  0.0000980600000000 ]  - [   0.0000145400000000,  0.0001598300000000, -0.0000876300000000 ]  - [  -0.0000472800000000, -0.0000397000000000, -0.0001626900000000 ]  - [   0.0009725900000000, -0.0001855900000000, -0.0002105000000000 ]  - [   0.0027440800000000,  0.0004009700000000, -0.0020844800000000 ]  - [   0.0014229700000000, -0.0013551800000000,  0.0012161800000000 ]  - [  -0.0000158800000000,  0.0000224300000000, -0.0000036500000000 ]  - [  -0.0001869300000000, -0.0001911700000000,  0.0001074900000000 ]  - [   0.0002183300000000, -0.0002162000000000, -0.0000911100000000 ]  - [  -0.0001112000000000,  0.0002320000000000, -0.0002168500000000 ]  - [  -0.0199944700000000, -0.0021137800000000, -0.0020746100000000 ]  - [  -0.0000144500000000,  0.0000002700000000, -0.0000007100000000 ]  - [   0.0000349600000000,  0.0000007900000000,  0.0000407000000000 ]  - [   0.0000264600000000, -0.0000148000000000, -0.0000083100000000 ]  - [   0.0009410500000000,  0.0003588000000000, -0.0013418200000000 ]  - [   0.0009086400000000, -0.0011455300000000, -0.0004172700000000 ]  - [  -0.0003712600000000, -0.0003249700000000,  0.0003532000000000 ]  - [   0.0000384000000000,  0.0001100500000000,  0.0000336600000000 ]  - [  -0.0001060000000000, -0.0000558400000000,  0.0000950200000000 ]  - [   0.0000895100000000, -0.0000379200000000, -0.0001247900000000 ]  - [   0.0000496600000000, -0.0001117800000000, -0.0000413500000000 ]  - [   0.0001320800000000,  0.0000155700000000,  0.0000487600000000 ]  - [   0.0001009300000000,  0.0001074100000000, -0.0001533400000000 ]  - [   0.0001534000000000, -0.0001845800000000, -0.0001331600000000 ]  - [  -0.0001402000000000, -0.0001529700000000,  0.0001123300000000 ]  - [   0.0001036200000000,  0.0000942800000000,  0.0000903200000000 ]  - [   0.0004140300000000, -0.0002817200000000,  0.0007834700000000 ]  - [   0.0000229800000000, -0.0000216600000000, -0.0000204300000000 ]  - [   0.0001446100000000,  0.0001447100000000, -0.0000746500000000 ]  - [   0.0000275000000000, -0.0000371700000000,  0.0000158600000000 ]  - [  -0.0001224700000000,  0.0001240100000000, -0.0000384800000000 ]  - [   0.0008937900000000,  0.0015207600000000,  0.0015331700000000 ]  - [  -0.0000903700000000, -0.0002421100000000, -0.0003841900000000 ]  - [   0.0004309300000000,  0.0005790200000000, -0.0002132200000000 ]  - [  -0.0000087700000000, -0.0000618100000000,  0.0000830800000000 ]  - [  -0.0008017000000000,  0.0001858900000000,  0.0001003400000000 ]  - [   0.0036144600000000, -0.0017871600000000,  0.0004310300000000 ]  - [   0.0001337300000000, -0.0001197300000000, -0.0019904700000000 ]  - [  -0.0000092900000000,  0.0001164800000000, -0.0000001700000000 ]  - [  -0.0000912800000000, -0.0000060500000000,  0.0001072300000000 ]  - [   0.0000219500000000,  0.0000323100000000,  0.0001159800000000 ]  - [   0.0000550900000000, -0.0000590600000000, -0.0000861100000000 ]  - [   0.0003082300000000, -0.0003245100000000,  0.0003445200000000 ]  - [  -0.0003121400000000,  0.0003485000000000,  0.0004119100000000 ]  - [   0.0006046200000000,  0.0004497000000000, -0.0004208600000000 ]  - [   0.0001236700000000,  0.0034892800000000,  0.0033955100000000 ]  - [   0.0014448500000000, -0.0002338000000000, -0.0016711200000000 ]  - [  -0.0000327400000000, -0.0001592300000000,  0.0000681700000000 ]  - [   0.0003104000000000,  0.0002157700000000, -0.0002368700000000 ]  - [  -0.0000603700000000,  0.0000564300000000,  0.0001152500000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001069100000000,  0.0002499100000000, -0.0002729300000000 ]  - [   0.0002112900000000, -0.0003662100000000, -0.0000042500000000 ]  - [   0.0003591700000000, -0.0001775300000000, -0.0002404700000000 ]  - [  -0.0003601800000000, -0.0000605900000000, -0.0002355000000000 ]  - [   0.0001242300000000,  0.0000611600000000, -0.0000325400000000 ]  - [  -0.0000387200000000,  0.0000294200000000,  0.0000603000000000 ]  - [   0.0000812600000000, -0.0000849500000000,  0.0001239000000000 ]  - [   0.0003650300000000, -0.0000437900000000, -0.0001716300000000 ]  - [   0.0001239500000000,  0.0000535200000000, -0.0000658800000000 ]  - [   0.0001495700000000, -0.0001675900000000,  0.0001197900000000 ]  - [  -0.0001417800000000, -0.0000464300000000, -0.0001549800000000 ]  - [  -0.0000479200000000, -0.0002475000000000, -0.0001437900000000 ]  - [  -0.0001502900000000,  0.0000662900000000,  0.0001691800000000 ]  - [  -0.0004348600000000,  0.0004651000000000,  0.0000613300000000 ]  - [  -0.0051983900000000, -0.0005082000000000, -0.0014796200000000 ]  - [  -0.0007096600000000, -0.0001642400000000, -0.0004461900000000 ]  - [   0.0002319700000000, -0.0000296200000000, -0.0000067900000000 ]  - [   0.0000764900000000,  0.0000289900000000,  0.0000190300000000 ]  - [  -0.0000194000000000,  0.0000904200000000, -0.0000280900000000 ]  - [   0.0001189100000000,  0.0000254400000000,  0.0001315700000000 ]  - [  -0.0000673000000000, -0.0000151900000000,  0.0000472100000000 ]  - [   0.0000777600000000,  0.0000702100000000,  0.0000572900000000 ]  - [  -0.0000389300000000, -0.0000236100000000,  0.0000042400000000 ]  - [  -0.0000389400000000, -0.0000561000000000,  0.0000067300000000 ]  - [  -0.0000244300000000,  0.0000621300000000,  0.0000587300000000 ]  - [  -0.0009041900000000,  0.0001727100000000,  0.0001087100000000 ]  - [  -0.0028950400000000, -0.0006012400000000,  0.0021601900000000 ]  - [  -0.0015558800000000,  0.0014329200000000, -0.0012914500000000 ]  - [  -0.0000478400000000, -0.0000534100000000,  0.0000597100000000 ]  - [  -0.0001685700000000, -0.0001274900000000,  0.0002260500000000 ]  - [   0.0001286200000000, -0.0001329100000000, -0.0002385700000000 ]  - [  -0.0002046600000000,  0.0001121600000000, -0.0001214000000000 ]  - [   0.0197739800000000,  0.0021445300000000,  0.0021563900000000 ]  - [   0.0000148100000000,  0.0000266300000000, -0.0000252300000000 ]  - [  -0.0000703800000000,  0.0000324000000000,  0.0000113700000000 ]  - [   0.0000208700000000, -0.0000095900000000,  0.0000327200000000 ]  - [  -0.0007656300000000, -0.0004669100000000,  0.0011867300000000 ]  - [  -0.0010974200000000,  0.0012200500000000,  0.0003375600000000 ]  - [   0.0002982200000000,  0.0001323600000000, -0.0002621800000000 ]  - [   0.0000246700000000,  0.0001030800000000, -0.0000018400000000 ]  - [  -0.0000765800000000, -0.0000250900000000, -0.0000121300000000 ]  - [   0.0000102200000000, -0.0001114100000000, -0.0000225900000000 ]  - [   0.0000997600000000, -0.0000376000000000, -0.0000550600000000 ]  - [   0.0000955300000000,  0.0000376500000000,  0.0000196200000000 ]  - [  -0.0003166600000000,  0.0001125900000000, -0.0000725300000000 ]  - [   0.0001357200000000, -0.0000959400000000, -0.0001443000000000 ]  - [  -0.0000870400000000, -0.0000729300000000,  0.0001178500000000 ]  - [   0.0000776000000000,  0.0000938800000000,  0.0000924700000000 ]  - [  -0.0005691800000000,  0.0002098700000000, -0.0006301100000000 ]  - [  -0.0000436000000000,  0.0000863700000000, -0.0000664000000000 ]  - [  -0.0002267900000000,  0.0000548900000000, -0.0000303400000000 ]  - [   0.0000350200000000, -0.0000461800000000, -0.0000384400000000 ]  - [  -0.0000374800000000,  0.0000286800000000, -0.0000332100000000 ]  - [  -0.0005755900000000, -0.0011861500000000, -0.0011815000000000 ]  - [   0.0000447700000000,  0.0003437000000000,  0.0002996700000000 ]  - [  -0.0003215400000000, -0.0006441900000000,  0.0001527100000000 ]  - [  -0.0000602700000000, -0.0000526700000000, -0.0000024100000000 ]  - [   0.0008684700000000, -0.0000253400000000,  0.0000428800000000 ]  - [  -0.0035337300000000,  0.0018989600000000, -0.0003758600000000 ]  - [  -0.0000710900000000,  0.0001724300000000,  0.0020806200000000 ]  - [  -0.0000661200000000, -0.0000406300000000, -0.0001833800000000 ]  - [  -0.0000011400000000, -0.0000699800000000,  0.0000803600000000 ]  - [   0.0000072700000000,  0.0000293800000000,  0.0001011300000000 ]  - [   0.0000349600000000, -0.0000000500000000, -0.0000379000000000 ]  - [   0.0004163500000000, -0.0003895800000000,  0.0003935500000000 ]  - [  -0.0004363700000000,  0.0003876400000000,  0.0003385800000000 ]  - [   0.0001313600000000,  0.0002950500000000, -0.0003221200000000 ]  - [  -0.0008445500000000, -0.0042448600000000, -0.0041458400000000 ]  - [  -0.0013742700000000,  0.0001140100000000,  0.0017735200000000 ]  - [  -0.0000854300000000,  0.0002458400000000,  0.0000275600000000 ]  - [  -0.0002329600000000, -0.0001316200000000,  0.0001265100000000 ]  - [  -0.0000901100000000, -0.0001330600000000, -0.0002082500000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001283000000000,  0.0001118100000000, -0.0000606100000000 ]  - [  -0.0000310800000000, -0.0000774300000000, -0.0001390700000000 ]  - [   0.0034246100000000, -0.0078457100000000,  0.0009659600000000 ]  - [   0.0000483400000000,  0.0000449000000000,  0.0000906300000000 ]  - [  -0.0001345400000000, -0.0000297400000000,  0.0000068200000000 ]  - [   0.0000774000000000, -0.0000650800000000,  0.0000137500000000 ]  - [   0.0000903000000000,  0.0000163800000000,  0.0000395600000000 ]  - [   0.0000440500000000,  0.0001308100000000, -0.0001013200000000 ]  - [   0.0000679800000000, -0.0000988600000000,  0.0000359100000000 ]  - [   0.0003138700000000,  0.0000773400000000,  0.0009390300000000 ]  - [   0.0012477100000000, -0.0030851700000000,  0.0013582900000000 ]  - [   0.0000084300000000, -0.0001546700000000, -0.0000218700000000 ]  - [  -0.0000273200000000,  0.0000207900000000,  0.0001887700000000 ]  - [  -0.0002230500000000, -0.0001676900000000,  0.0002436800000000 ]  - [  -0.0002314300000000,  0.0000561100000000,  0.0001096500000000 ]  - [   0.0091894300000000,  0.0036849500000000, -0.0009658100000000 ]  - [   0.0060081300000000,  0.0041202200000000, -0.0000054300000000 ]  - [   0.0001037200000000,  0.0000065400000000, -0.0000234100000000 ]  - [  -0.0000454300000000, -0.0000022200000000, -0.0000052700000000 ]  - [  -0.0000481900000000, -0.0001633900000000, -0.0000038400000000 ]  - [  -0.0000467700000000, -0.0000841900000000, -0.0001812700000000 ]  - [  -0.0005726300000000,  0.0005270900000000,  0.0004243800000000 ]  - [  -0.0000103900000000, -0.0001305300000000, -0.0000539300000000 ]  - [  -0.0000262600000000,  0.0000919300000000, -0.0000164100000000 ]  - [   0.0007690700000000, -0.0002811400000000,  0.0002953800000000 ]  - [  -0.0001123700000000,  0.0000685200000000,  0.0002504400000000 ]  - [   0.0010167400000000, -0.0001353200000000, -0.0000331600000000 ]  - [  -0.0000084500000000,  0.0000406800000000,  0.0000146700000000 ]  - [   0.0000302600000000,  0.0004946300000000, -0.0007066100000000 ]  - [  -0.0001682600000000, -0.0001244900000000,  0.0001444300000000 ]  - [   0.0001428800000000, -0.0001691100000000, -0.0001826400000000 ]  - [  -0.0008131500000000,  0.0020050800000000,  0.0000835000000000 ]  - [   0.0007828800000000,  0.0002977200000000, -0.0012038700000000 ]  - [   0.0000433100000000,  0.0000004300000000, -0.0000145100000000 ]  - [   0.0000109100000000,  0.0000106600000000,  0.0000362900000000 ]  - [  -0.0000198200000000, -0.0000049700000000,  0.0000095800000000 ]  - [  -0.0316022300000000,  0.0064917000000000, -0.0019727600000000 ]  - [  -0.0000345100000000,  0.0000138100000000, -0.0000673500000000 ]  - [  -0.0000731800000000, -0.0000255100000000,  0.0000874000000000 ]  - [   0.0001059000000000,  0.0001800100000000,  0.0000301700000000 ]  - [  -0.0000800200000000, -0.0000844800000000,  0.0000840200000000 ]  - [   0.0001323100000000, -0.0000630900000000, -0.0001497700000000 ]  - [   0.0002095200000000, -0.0001523500000000,  0.0000097100000000 ]  - [   0.0001201600000000,  0.0000621400000000,  0.0001042800000000 ]  - [   0.0007790000000000,  0.0004739000000000,  0.0008432900000000 ]  - [  -0.0001338800000000,  0.0001061100000000,  0.0009403300000000 ]  - [  -0.0001798200000000, -0.0001687900000000,  0.0001625100000000 ]  - [   0.0001558200000000,  0.0001511100000000,  0.0001099300000000 ]  - [   0.0001292800000000, -0.0000436600000000,  0.0000587600000000 ]  - [  -0.0000539300000000,  0.0000185500000000, -0.0000431400000000 ]  - [   0.0001914700000000, -0.0000494200000000, -0.0000407900000000 ]  - [   0.0000298900000000, -0.0000493700000000, -0.0000487200000000 ]  - [  -0.0000486800000000,  0.0000385300000000,  0.0000005900000000 ]  - [   0.0002519400000000,  0.0002184400000000,  0.0001092700000000 ]  - [   0.0000228500000000,  0.0012752800000000, -0.0000387500000000 ]  - [   0.0000452300000000, -0.0000030600000000, -0.0000418800000000 ]  - [   0.0000049100000000, -0.0000631700000000,  0.0000250000000000 ]  - [   0.0009157700000000, -0.0012584700000000, -0.0006520300000000 ]  - [  -0.0004124200000000, -0.0002380400000000,  0.0004842300000000 ]  - [   0.0000643900000000, -0.0000104300000000,  0.0000018400000000 ]  - [  -0.0000879800000000,  0.0000460400000000, -0.0001658900000000 ]  - [  -0.0000936200000000, -0.0000428800000000,  0.0000600800000000 ]  - [   0.0000193900000000,  0.0000524900000000,  0.0000980300000000 ]  - [   0.0001092200000000, -0.0000409500000000, -0.0000925800000000 ]  - [   0.0004459600000000, -0.0004605100000000,  0.0004352000000000 ]  - [  -0.0003007300000000,  0.0003691400000000,  0.0004341000000000 ]  - [   0.0047782800000000, -0.0032523300000000, -0.0040230200000000 ]  - [  -0.0002206700000000, -0.0004285300000000, -0.0005818700000000 ]  - [   0.0001397500000000, -0.0000190600000000, -0.0000634600000000 ]  - [   0.0039001400000000, -0.0022725900000000,  0.0024822800000000 ]  - [   0.0000768100000000,  0.0000581000000000,  0.0000018800000000 ]  - [  -0.0000789000000000, -0.0000155500000000, -0.0001126100000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000817900000000,  0.0000943100000000, -0.0001447800000000 ]  - [   0.0002331700000000, -0.0001290300000000, -0.0000614600000000 ]  - [  -0.0036666200000000,  0.0078203800000000, -0.0007703300000000 ]  - [   0.0001523200000000,  0.0001540800000000,  0.0001168700000000 ]  - [  -0.0000418400000000, -0.0001883000000000, -0.0002310300000000 ]  - [  -0.0002733300000000,  0.0000770900000000,  0.0000424800000000 ]  - [   0.0000745400000000, -0.0001245600000000,  0.0000938900000000 ]  - [   0.0001531200000000,  0.0000456200000000, -0.0000710600000000 ]  - [   0.0000589400000000,  0.0002812400000000, -0.0001457200000000 ]  - [  -0.0001386900000000, -0.0002579700000000, -0.0007763400000000 ]  - [  -0.0013558000000000,  0.0029075600000000, -0.0014878300000000 ]  - [  -0.0001197500000000, -0.0000556600000000, -0.0000244700000000 ]  - [  -0.0001004300000000,  0.0001463900000000,  0.0000061400000000 ]  - [   0.0002239000000000,  0.0000838700000000, -0.0000473500000000 ]  - [   0.0000428500000000,  0.0001041800000000,  0.0000905500000000 ]  - [  -0.0085616100000000, -0.0034531200000000,  0.0008604000000000 ]  - [  -0.0062533500000000, -0.0042392700000000,  0.0000753000000000 ]  - [   0.0000108600000000,  0.0000359500000000,  0.0000285600000000 ]  - [  -0.0000678100000000, -0.0000163500000000,  0.0000063600000000 ]  - [   0.0000709500000000,  0.0001596900000000,  0.0000961100000000 ]  - [   0.0000466100000000, -0.0000219400000000,  0.0001439800000000 ]  - [   0.0005629000000000, -0.0004226500000000, -0.0004017000000000 ]  - [  -0.0000256500000000,  0.0001222200000000,  0.0001628400000000 ]  - [   0.0000329200000000,  0.0000233600000000, -0.0000157400000000 ]  - [  -0.0008069600000000,  0.0002718800000000, -0.0004058700000000 ]  - [   0.0001377700000000, -0.0000695800000000, -0.0003656200000000 ]  - [  -0.0010125500000000,  0.0000338500000000,  0.0000469400000000 ]  - [  -0.0000943200000000, -0.0000119600000000, -0.0000078800000000 ]  - [  -0.0001341500000000, -0.0005718800000000,  0.0007696900000000 ]  - [  -0.0001746100000000, -0.0002106000000000,  0.0001733300000000 ]  - [   0.0002137100000000, -0.0001459300000000, -0.0001525400000000 ]  - [   0.0005011700000000, -0.0016532700000000, -0.0004214900000000 ]  - [  -0.0008413300000000, -0.0003179600000000,  0.0011662600000000 ]  - [  -0.0000241900000000,  0.0000231200000000, -0.0000305800000000 ]  - [  -0.0000231300000000,  0.0000457600000000,  0.0000136200000000 ]  - [   0.0000645800000000, -0.0000397200000000,  0.0000221400000000 ]  - [   0.0316280000000000, -0.0067045800000000,  0.0015797100000000 ]  - [  -0.0001768300000000,  0.0000046000000000,  0.0000135000000000 ]  - [  -0.0000163300000000, -0.0001173100000000,  0.0000214700000000 ]  - [  -0.0000427200000000,  0.0000030000000000,  0.0000452300000000 ]  - [  -0.0000750200000000, -0.0000348500000000, -0.0000020000000000 ]  - [  -0.0000472200000000, -0.0001108900000000,  0.0000560700000000 ]  - [  -0.0000440300000000,  0.0000637400000000, -0.0000829200000000 ]  - [   0.0000776900000000,  0.0000214000000000, -0.0000320100000000 ]  - [  -0.0009674800000000, -0.0002974500000000, -0.0010398400000000 ]  - [   0.0003704200000000, -0.0003407600000000, -0.0011841100000000 ]  - [  -0.0001015200000000, -0.0001097300000000,  0.0001103300000000 ]  - [   0.0000679900000000,  0.0000854600000000,  0.0001172800000000 ]  - [  -0.0002228300000000, -0.0000245400000000,  0.0000707900000000 ]  - [  -0.0000197800000000,  0.0000372700000000, -0.0000646800000000 ]  - [  -0.0002494200000000,  0.0002774900000000,  0.0000107900000000 ]  - [   0.0000350400000000, -0.0000674300000000, -0.0000340700000000 ]  - [  -0.0000692500000000,  0.0000538100000000, -0.0000554800000000 ]  - [   0.0000644700000000,  0.0001291700000000,  0.0002321300000000 ]  - [  -0.0000955000000000, -0.0011277900000000, -0.0001094600000000 ]  - [   0.0000255900000000, -0.0000073100000000, -0.0000122900000000 ]  - [  -0.0000695900000000, -0.0000121600000000, -0.0000139400000000 ]  - [  -0.0008551600000000,  0.0013657700000000,  0.0007317100000000 ]  - [   0.0005776100000000,  0.0003848500000000, -0.0003988300000000 ]  - [  -0.0000490600000000,  0.0000615200000000,  0.0000629500000000 ]  - [   0.0000650900000000, -0.0000005200000000, -0.0000462600000000 ]  - [  -0.0000223300000000, -0.0000461900000000,  0.0000954100000000 ]  - [   0.0000410400000000,  0.0000194400000000,  0.0000764700000000 ]  - [   0.0000345400000000, -0.0000335700000000, -0.0000632600000000 ]  - [   0.0002992500000000, -0.0002800700000000,  0.0003136000000000 ]  - [  -0.0004394000000000,  0.0003617400000000,  0.0003127300000000 ]  - [  -0.0040941700000000,  0.0040224800000000,  0.0033365300000000 ]  - [  -0.0005248700000000, -0.0003106900000000, -0.0001452400000000 ]  - [  -0.0000187600000000, -0.0000279500000000,  0.0002112300000000 ]  - [  -0.0039794600000000,  0.0023177800000000, -0.0023975300000000 ]  - [   0.0000820600000000,  0.0000726600000000, -0.0000490100000000 ]  - [   0.0000295100000000, -0.0001291600000000, -0.0000206700000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000115600000000,  0.0001045600000000, -0.0001000600000000 ]  - [   0.0001364100000000, -0.0001037000000000, -0.0001142800000000 ]  - [  -0.0061964300000000,  0.0133475300000000, -0.0012198800000000 ]  - [   0.0002132000000000,  0.0001645600000000, -0.0000137700000000 ]  - [  -0.0001871400000000, -0.0001318600000000, -0.0001352400000000 ]  - [   0.0000956400000000, -0.0002730500000000,  0.0000436600000000 ]  - [   0.0000530000000000, -0.0000582900000000,  0.0000445700000000 ]  - [   0.0001579300000000,  0.0001684100000000, -0.0000808400000000 ]  - [   0.0000218100000000, -0.0002363500000000,  0.0001430800000000 ]  - [  -0.0000381000000000, -0.0002275500000000, -0.0002312700000000 ]  - [  -0.0017155900000000,  0.0067126500000000, -0.0032928400000000 ]  - [  -0.0000931500000000, -0.0003045000000000, -0.0001178100000000 ]  - [  -0.0000783800000000,  0.0000429800000000,  0.0001837500000000 ]  - [  -0.0002558600000000, -0.0003902000000000,  0.0003079900000000 ]  - [  -0.0001628900000000,  0.0000730400000000,  0.0000197200000000 ]  - [   0.0030342300000000,  0.0016151900000000, -0.0001677000000000 ]  - [   0.0020485200000000,  0.0018700100000000, -0.0000693700000000 ]  - [   0.0000652600000000,  0.0000427800000000,  0.0001217400000000 ]  - [  -0.0000627900000000, -0.0000456600000000, -0.0000266600000000 ]  - [  -0.0001942800000000, -0.0001002800000000, -0.0001109400000000 ]  - [  -0.0000817400000000, -0.0002490700000000, -0.0001329900000000 ]  - [   0.0006246500000000,  0.0003748300000000, -0.0002975300000000 ]  - [  -0.0003190700000000, -0.0003189700000000, -0.0002842100000000 ]  - [  -0.0000030000000000,  0.0000178500000000, -0.0000336900000000 ]  - [  -0.0004175800000000,  0.0000170600000000, -0.0001089500000000 ]  - [   0.0000003000000000,  0.0000587300000000, -0.0002081700000000 ]  - [  -0.0001445800000000,  0.0014485800000000,  0.0016607200000000 ]  - [  -0.0000787800000000, -0.0000465300000000, -0.0000195100000000 ]  - [   0.0004944500000000,  0.0003814200000000, -0.0010171000000000 ]  - [  -0.0001954400000000, -0.0001634200000000,  0.0001673100000000 ]  - [   0.0001721100000000, -0.0001567900000000, -0.0001862700000000 ]  - [   0.0016096500000000,  0.0056682100000000,  0.0005859700000000 ]  - [   0.0004037100000000, -0.0003581100000000, -0.0003950900000000 ]  - [   0.0000915200000000,  0.0000440700000000, -0.0000666000000000 ]  - [  -0.0000203300000000,  0.0000172300000000,  0.0000272300000000 ]  - [  -0.0000122000000000,  0.0001676500000000,  0.0000021200000000 ]  - [   0.0067388300000000, -0.0315908600000000,  0.0015063100000000 ]  - [  -0.0000965100000000,  0.0000356700000000, -0.0000485800000000 ]  - [  -0.0000340800000000, -0.0001118500000000, -0.0000215300000000 ]  - [   0.0001892200000000,  0.0001441700000000,  0.0000103500000000 ]  - [  -0.0001294100000000,  0.0000587800000000,  0.0001757700000000 ]  - [  -0.0000008900000000, -0.0001143900000000, -0.0000898200000000 ]  - [   0.0001372500000000,  0.0000490000000000,  0.0000007800000000 ]  - [  -0.0000629300000000,  0.0002590200000000,  0.0000851600000000 ]  - [   0.0001931000000000, -0.0000754700000000,  0.0001151000000000 ]  - [   0.0004695900000000, -0.0005086900000000,  0.0011300900000000 ]  - [  -0.0001027900000000, -0.0000569200000000,  0.0000878400000000 ]  - [   0.0001066300000000,  0.0001174100000000,  0.0001087100000000 ]  - [  -0.0000168000000000,  0.0000070000000000,  0.0000750900000000 ]  - [  -0.0000244900000000,  0.0000587000000000, -0.0000988500000000 ]  - [  -0.0000842200000000,  0.0001052200000000,  0.0000289500000000 ]  - [   0.0000327800000000, -0.0000301800000000, -0.0000393500000000 ]  - [  -0.0001131600000000,  0.0000814800000000, -0.0000545700000000 ]  - [   0.0002599700000000,  0.0002248700000000,  0.0001802300000000 ]  - [   0.0012528900000000,  0.0027111500000000,  0.0002559100000000 ]  - [   0.0000980400000000, -0.0000545600000000, -0.0000615600000000 ]  - [  -0.0000614200000000, -0.0000555100000000,  0.0000441000000000 ]  - [  -0.0013052200000000,  0.0008640800000000,  0.0007649800000000 ]  - [  -0.0003515300000000,  0.0008147100000000, -0.0018412500000000 ]  - [   0.0000497500000000,  0.0000346700000000,  0.0000595600000000 ]  - [  -0.0000143000000000, -0.0000018700000000, -0.0000434400000000 ]  - [  -0.0000377300000000,  0.0000235100000000,  0.0001323100000000 ]  - [   0.0000205700000000,  0.0000234700000000,  0.0000876300000000 ]  - [   0.0000054700000000,  0.0001136000000000, -0.0000216300000000 ]  - [   0.0005002700000000, -0.0002275600000000,  0.0004742400000000 ]  - [  -0.0002457400000000,  0.0004278700000000,  0.0004035200000000 ]  - [  -0.0033605000000000, -0.0014669200000000,  0.0013856900000000 ]  - [  -0.0004478900000000, -0.0001628400000000,  0.0002553300000000 ]  - [   0.0000964700000000, -0.0000556700000000,  0.0001825300000000 ]  - [  -0.0026528900000000, -0.0008827200000000, -0.0000178400000000 ]  - [   0.0000976000000000,  0.0000854600000000, -0.0000116500000000 ]  - [  -0.0000594400000000, -0.0000168600000000, -0.0000772100000000 ]- atom:   37  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001970600000000,  0.0001135600000000, -0.0001029900000000 ]  - [   0.0000622800000000, -0.0000958300000000, -0.0000650600000000 ]  - [   0.0056948400000000, -0.0131646700000000,  0.0014381900000000 ]  - [  -0.0000386300000000,  0.0000029600000000,  0.0001910900000000 ]  - [   0.0000331000000000, -0.0001417800000000, -0.0001232400000000 ]  - [  -0.0002639700000000,  0.0004193100000000,  0.0000793600000000 ]  - [   0.0001436500000000,  0.0000620500000000, -0.0000055300000000 ]  - [   0.0001526700000000,  0.0001103600000000, -0.0000762200000000 ]  - [  -0.0000102000000000,  0.0004307100000000, -0.0000824200000000 ]  - [   0.0001594500000000,  0.0000556400000000,  0.0003197500000000 ]  - [   0.0017402000000000, -0.0070097400000000,  0.0032463700000000 ]  - [  -0.0001056000000000,  0.0001130300000000, -0.0000997600000000 ]  - [   0.0001554500000000, -0.0000551600000000,  0.0000042600000000 ]  - [   0.0003650900000000,  0.0002179800000000, -0.0001225800000000 ]  - [  -0.0001404700000000,  0.0001144100000000,  0.0002981300000000 ]  - [  -0.0028533400000000, -0.0015292800000000,  0.0000254300000000 ]  - [  -0.0019684400000000, -0.0018721700000000,  0.0000920700000000 ]  - [   0.0000414300000000, -0.0000316600000000, -0.0001167400000000 ]  - [  -0.0000575400000000,  0.0000151100000000,  0.0000258100000000 ]  - [   0.0002072600000000,  0.0000985800000000,  0.0001916900000000 ]  - [   0.0000926000000000,  0.0001295100000000,  0.0000960800000000 ]  - [  -0.0006214400000000, -0.0002610100000000,  0.0003197000000000 ]  - [   0.0002976700000000,  0.0003265200000000,  0.0003912900000000 ]  - [   0.0000400300000000,  0.0000793200000000,  0.0000124400000000 ]  - [   0.0003951000000000, -0.0000306000000000, -0.0000100600000000 ]  - [   0.0000179000000000, -0.0000453600000000,  0.0001104200000000 ]  - [   0.0001743400000000, -0.0015328800000000, -0.0016822700000000 ]  - [  -0.0000229500000000,  0.0000703700000000,  0.0000520000000000 ]  - [  -0.0006837700000000, -0.0006147800000000,  0.0010913300000000 ]  - [  -0.0001518900000000, -0.0002019300000000,  0.0001171200000000 ]  - [   0.0001480200000000, -0.0001225200000000, -0.0001803600000000 ]  - [  -0.0019842800000000, -0.0054237200000000, -0.0008948100000000 ]  - [  -0.0004737300000000,  0.0003009300000000,  0.0003796700000000 ]  - [  -0.0000438400000000, -0.0000464100000000, -0.0000173000000000 ]  - [   0.0000091600000000,  0.0000618200000000, -0.0000423900000000 ]  - [   0.0000285300000000, -0.0001974400000000,  0.0000678200000000 ]  - [  -0.0064317100000000,  0.0313789900000000, -0.0017668300000000 ]  - [  -0.0001662500000000, -0.0000875700000000,  0.0000277300000000 ]  - [  -0.0000285300000000, -0.0000553200000000,  0.0000533900000000 ]  - [  -0.0000742000000000, -0.0000391600000000,  0.0002149200000000 ]  - [  -0.0000746000000000, -0.0001255900000000, -0.0001349700000000 ]  - [   0.0000835000000000, -0.0000585500000000, -0.0000370300000000 ]  - [   0.0000116200000000, -0.0001392200000000, -0.0000845800000000 ]  - [   0.0001495500000000, -0.0000508000000000,  0.0000396400000000 ]  - [  -0.0003117300000000,  0.0001945100000000, -0.0002273000000000 ]  - [  -0.0002156100000000,  0.0002458200000000, -0.0013983400000000 ]  - [  -0.0001237800000000, -0.0001672900000000,  0.0001143100000000 ]  - [   0.0002447800000000,  0.0002336700000000,  0.0002500900000000 ]  - [  -0.0001076600000000, -0.0000754100000000,  0.0000788300000000 ]  - [  -0.0002156200000000,  0.0000058500000000, -0.0000916700000000 ]  - [   0.0000599800000000,  0.0001459000000000,  0.0000439300000000 ]  - [   0.0000657800000000, -0.0002004900000000, -0.0002016100000000 ]  - [  -0.0000032500000000,  0.0000233000000000,  0.0000110200000000 ]  - [   0.0000512000000000,  0.0001096500000000,  0.0001857000000000 ]  - [  -0.0012852200000000, -0.0025943400000000, -0.0003044700000000 ]  - [  -0.0000704700000000,  0.0001229800000000,  0.0000005800000000 ]  - [   0.0000340900000000,  0.0000636100000000, -0.0001229100000000 ]  - [   0.0013789300000000, -0.0007270600000000, -0.0006541900000000 ]  - [   0.0004591400000000, -0.0007505000000000,  0.0018952900000000 ]  - [  -0.0001341500000000,  0.0000127900000000, -0.0000448300000000 ]  - [   0.0000711000000000,  0.0000271400000000, -0.0002229700000000 ]  - [  -0.0000213500000000, -0.0000916300000000,  0.0000693200000000 ]  - [   0.0001744500000000,  0.0000757200000000,  0.0000000400000000 ]  - [   0.0000432900000000, -0.0001695500000000, -0.0000540400000000 ]  - [   0.0002163300000000, -0.0005156800000000,  0.0002798100000000 ]  - [  -0.0004930500000000,  0.0003292400000000,  0.0003135900000000 ]  - [   0.0040983700000000,  0.0021578400000000, -0.0021549000000000 ]  - [  -0.0002974500000000, -0.0005628400000000, -0.0009859000000000 ]  - [   0.0000390800000000, -0.0001360700000000, -0.0001480900000000 ]  - [   0.0025251800000000,  0.0009705300000000,  0.0001926500000000 ]  - [   0.0000808100000000,  0.0000735500000000,  0.0000374500000000 ]  - [  -0.0000741500000000,  0.0000307100000000, -0.0001019400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0001038500000000,  0.0001193800000000, -0.0000638100000000 ]  - [   0.0000904900000000, -0.0001030000000000, -0.0000311200000000 ]  - [  -0.0002905700000000, -0.0001455900000000,  0.0005010800000000 ]  - [   0.0004876300000000,  0.0002134100000000, -0.0005146300000000 ]  - [  -0.0000400100000000, -0.0000639500000000, -0.0000704500000000 ]  - [  -0.0000904700000000, -0.0000376700000000,  0.0000634800000000 ]  - [   0.0000746400000000, -0.0000972100000000,  0.0000725200000000 ]  - [  -0.0000587000000000,  0.0001002700000000, -0.0002503600000000 ]  - [   0.0001109100000000,  0.0000958400000000, -0.0000573600000000 ]  - [   0.0000267100000000,  0.0000501500000000,  0.0002660700000000 ]  - [   0.0016038100000000, -0.0041798400000000,  0.0027538300000000 ]  - [  -0.0000343600000000, -0.0000181900000000, -0.0000927100000000 ]  - [  -0.0000822000000000,  0.0000515800000000,  0.0000997800000000 ]  - [   0.0002512600000000,  0.0001911700000000, -0.0000785200000000 ]  - [   0.0000684700000000,  0.0000503800000000,  0.0001063300000000 ]  - [   0.0004867600000000, -0.0000543400000000,  0.0004977200000000 ]  - [  -0.0008565900000000, -0.0006123500000000,  0.0007738500000000 ]  - [   0.0001189500000000,  0.0000399600000000,  0.0000227200000000 ]  - [  -0.0000724800000000,  0.0000290300000000, -0.0000270600000000 ]  - [  -0.0000812400000000, -0.0001049400000000,  0.0000371700000000 ]  - [  -0.0000709000000000, -0.0000343900000000,  0.0000066200000000 ]  - [   0.0019205300000000, -0.0007567600000000, -0.0004698900000000 ]  - [  -0.0002028300000000, -0.0003748100000000, -0.0001092900000000 ]  - [   0.0000206700000000,  0.0000301200000000, -0.0000572700000000 ]  - [  -0.0005154900000000,  0.0002540700000000, -0.0000074700000000 ]  - [  -0.0001787600000000,  0.0000418100000000, -0.0004432600000000 ]  - [   0.0001375700000000,  0.0015052000000000,  0.0048839500000000 ]  - [   0.0001183000000000, -0.0002473000000000, -0.0006703600000000 ]  - [  -0.0008408400000000, -0.0011966700000000,  0.0011405300000000 ]  - [  -0.0001956700000000, -0.0001270600000000,  0.0001689000000000 ]  - [   0.0001979700000000, -0.0001735100000000, -0.0000444600000000 ]  - [   0.0000679700000000,  0.0010484400000000, -0.0012664900000000 ]  - [  -0.0012786800000000, -0.0002365100000000,  0.0010035900000000 ]  - [  -0.0001072600000000, -0.0000270100000000, -0.0000150400000000 ]  - [  -0.0000169400000000, -0.0000043800000000,  0.0000213200000000 ]  - [   0.0000099200000000, -0.0000272100000000, -0.0000028400000000 ]  - [  -0.0017017100000000,  0.0017090900000000, -0.0161031000000000 ]  - [  -0.0001472400000000,  0.0001038700000000, -0.0000488200000000 ]  - [  -0.0000476100000000, -0.0001618900000000,  0.0001309100000000 ]  - [   0.0000720900000000,  0.0001045400000000,  0.0000438600000000 ]  - [  -0.0001148700000000,  0.0000411300000000,  0.0000847200000000 ]  - [   0.0001012100000000, -0.0001025500000000,  0.0000298900000000 ]  - [   0.0001092200000000, -0.0001340200000000, -0.0000862300000000 ]  - [   0.0000131400000000,  0.0002447700000000,  0.0000645700000000 ]  - [   0.0008843800000000,  0.0004354300000000,  0.0003797800000000 ]  - [   0.0013955700000000,  0.0008498100000000,  0.0029770900000000 ]  - [  -0.0001266600000000, -0.0001002000000000,  0.0001283300000000 ]  - [   0.0001302800000000,  0.0000902100000000,  0.0001122000000000 ]  - [  -0.0001051900000000,  0.0000110300000000,  0.0000868400000000 ]  - [  -0.0000557400000000,  0.0000617700000000, -0.0000244300000000 ]  - [   0.0001003000000000,  0.0000105500000000, -0.0000737000000000 ]  - [   0.0000566300000000, -0.0000345300000000, -0.0000248300000000 ]  - [  -0.0000402700000000,  0.0000555200000000, -0.0000181400000000 ]  - [   0.0001191900000000,  0.0001226200000000,  0.0001726300000000 ]  - [   0.0000669800000000,  0.0002122700000000, -0.0006406900000000 ]  - [   0.0000514900000000, -0.0000603200000000, -0.0000230200000000 ]  - [  -0.0001109500000000, -0.0000068000000000,  0.0001040900000000 ]  - [  -0.0007403500000000,  0.0008630600000000,  0.0000506000000000 ]  - [   0.0005223700000000, -0.0017516800000000,  0.0020430400000000 ]  - [   0.0000535300000000,  0.0000099000000000,  0.0000920100000000 ]  - [  -0.0000077100000000,  0.0000102600000000,  0.0001125200000000 ]  - [  -0.0000450500000000, -0.0000665300000000,  0.0000649400000000 ]  - [   0.0000703500000000,  0.0000484800000000,  0.0000942900000000 ]  - [   0.0000371400000000, -0.0000449600000000, -0.0000412600000000 ]  - [   0.0004839400000000, -0.0002875800000000,  0.0003657500000000 ]  - [  -0.0002940800000000,  0.0003825900000000,  0.0003963600000000 ]  - [  -0.0022109700000000,  0.0018278800000000, -0.0011916700000000 ]  - [  -0.0010573700000000, -0.0000392900000000,  0.0021478300000000 ]  - [  -0.0000733400000000,  0.0000071500000000, -0.0000616000000000 ]  - [   0.0018382900000000,  0.0001578300000000,  0.0005153800000000 ]  - [   0.0000757900000000,  0.0002225800000000, -0.0000332600000000 ]  - [   0.0000225300000000,  0.0000099400000000,  0.0000260200000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0000970500000000,  0.0000708400000000, -0.0001359000000000 ]  - [   0.0001047100000000, -0.0000911400000000, -0.0001664200000000 ]  - [   0.0001026700000000, -0.0001171300000000, -0.0003011700000000 ]  - [  -0.0002819800000000, -0.0000044300000000,  0.0007256900000000 ]  - [  -0.0001367200000000, -0.0000253800000000, -0.0000317300000000 ]  - [  -0.0000807200000000,  0.0002387300000000,  0.0001531500000000 ]  - [   0.0001065100000000, -0.0000551800000000,  0.0001016500000000 ]  - [   0.0002089300000000,  0.0000786000000000,  0.0000710200000000 ]  - [   0.0000555400000000,  0.0000730100000000, -0.0001155600000000 ]  - [   0.0000385700000000, -0.0002468700000000, -0.0002523800000000 ]  - [  -0.0015404700000000,  0.0040525000000000, -0.0029186100000000 ]  - [  -0.0001764100000000, -0.0001664300000000, -0.0001101500000000 ]  - [  -0.0000848400000000,  0.0001265300000000,  0.0000716900000000 ]  - [  -0.0000646400000000, -0.0003723800000000,  0.0002473300000000 ]  - [  -0.0002398000000000,  0.0001233300000000,  0.0000699800000000 ]  - [  -0.0003276700000000,  0.0000917500000000, -0.0005793000000000 ]  - [   0.0009748600000000,  0.0005912200000000, -0.0008013800000000 ]  - [  -0.0000224900000000, -0.0000073500000000, -0.0000342300000000 ]  - [  -0.0000241800000000, -0.0000376900000000,  0.0000091100000000 ]  - [   0.0000969100000000,  0.0000975300000000,  0.0000667800000000 ]  - [   0.0000719200000000, -0.0000604300000000, -0.0000344700000000 ]  - [  -0.0018993200000000,  0.0008745300000000,  0.0005196800000000 ]  - [   0.0001687300000000,  0.0003655400000000,  0.0002232300000000 ]  - [  -0.0000102500000000,  0.0000690300000000,  0.0000530100000000 ]  - [   0.0004799500000000, -0.0002498100000000, -0.0000930800000000 ]  - [   0.0002005700000000, -0.0000367000000000,  0.0003578300000000 ]  - [  -0.0001001100000000, -0.0017223000000000, -0.0051863100000000 ]  - [  -0.0002373600000000,  0.0002869900000000,  0.0006717000000000 ]  - [   0.0007436000000000,  0.0011379000000000, -0.0010777800000000 ]  - [  -0.0001659900000000, -0.0001984500000000,  0.0001491600000000 ]  - [   0.0001369900000000, -0.0001737500000000, -0.0002931500000000 ]  - [  -0.0003926800000000, -0.0006807100000000,  0.0009523000000000 ]  - [   0.0012400400000000,  0.0001572500000000, -0.0010412200000000 ]  - [   0.0001210200000000,  0.0000688600000000, -0.0000475200000000 ]  - [  -0.0000234000000000,  0.0000304300000000,  0.0000104000000000 ]  - [   0.0000341100000000,  0.0000174700000000,  0.0000461700000000 ]  - [   0.0017756100000000, -0.0015554400000000,  0.0163017000000000 ]  - [  -0.0000631100000000, -0.0000169400000000, -0.0000177100000000 ]  - [  -0.0000194000000000, -0.0000529300000000, -0.0001018000000000 ]  - [   0.0000040100000000,  0.0001045600000000,  0.0000314700000000 ]  - [  -0.0000771400000000, -0.0000354500000000, -0.0000432700000000 ]  - [  -0.0000112700000000, -0.0000194100000000, -0.0001640200000000 ]  - [   0.0000292100000000, -0.0000361300000000, -0.0000213900000000 ]  - [   0.0001779200000000, -0.0001939000000000,  0.0000007200000000 ]  - [  -0.0011070100000000, -0.0002074100000000, -0.0005967600000000 ]  - [  -0.0010807700000000, -0.0011375400000000, -0.0032378900000000 ]  - [  -0.0000683000000000, -0.0000727800000000,  0.0000607100000000 ]  - [   0.0000791300000000,  0.0001203900000000,  0.0001048700000000 ]  - [  -0.0000731800000000, -0.0000691000000000,  0.0000783100000000 ]  - [  -0.0000011800000000,  0.0000100800000000, -0.0000836500000000 ]  - [  -0.0001677800000000,  0.0001686800000000,  0.0000167800000000 ]  - [   0.0000148700000000, -0.0000671900000000, -0.0000297200000000 ]  - [  -0.0001292500000000,  0.0001284500000000, -0.0000474300000000 ]  - [   0.0002078100000000,  0.0001835800000000,  0.0001835100000000 ]  - [  -0.0001230600000000, -0.0001545100000000,  0.0006227300000000 ]  - [   0.0000625400000000, -0.0000104500000000, -0.0000449100000000 ]  - [   0.0000503100000000, -0.0001017500000000, -0.0000364700000000 ]  - [   0.0008065200000000, -0.0006781300000000,  0.0001203600000000 ]  - [  -0.0004385500000000,  0.0017879800000000, -0.0020067100000000 ]  - [  -0.0000080500000000,  0.0000423500000000,  0.0000105000000000 ]  - [  -0.0000174200000000,  0.0000565800000000, -0.0002901600000000 ]  - [  -0.0000028400000000,  0.0000097100000000,  0.0001555000000000 ]  - [  -0.0000065900000000,  0.0000218800000000,  0.0000957000000000 ]  - [  -0.0000142300000000, -0.0000151100000000, -0.0000376100000000 ]  - [   0.0002566200000000, -0.0004318000000000,  0.0003748800000000 ]  - [  -0.0004546200000000,  0.0003475300000000,  0.0003469500000000 ]  - [   0.0029402500000000, -0.0010747800000000,  0.0004103900000000 ]  - [   0.0003087200000000, -0.0007198600000000, -0.0029073400000000 ]  - [   0.0001843600000000, -0.0002204600000000,  0.0000885400000000 ]  - [  -0.0019401100000000, -0.0001530000000000, -0.0004144300000000 ]  - [   0.0000667800000000, -0.0001340200000000, -0.0000782900000000 ]  - [  -0.0001403600000000, -0.0001296200000000, -0.0001235900000000 ]- atom:   45  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001458800000000,  0.0001410700000000, -0.0001755700000000 ]  - [  -0.0003099500000000, -0.0013542600000000,  0.0000328200000000 ]  - [   0.0001771300000000, -0.0004366200000000, -0.0004564300000000 ]  - [  -0.0004102100000000,  0.0001144600000000,  0.0003526000000000 ]  - [   0.0000075600000000,  0.0010609300000000, -0.0005103400000000 ]  - [  -0.0002136300000000,  0.0002363700000000,  0.0000671900000000 ]  - [   0.0001265600000000, -0.0000703000000000,  0.0000644800000000 ]  - [   0.0005186900000000, -0.0001778200000000, -0.0001595100000000 ]  - [   0.0001397300000000,  0.0000865200000000, -0.0000851700000000 ]  - [  -0.0000095700000000, -0.0001524300000000,  0.0000565400000000 ]  - [  -0.0001691400000000, -0.0000884900000000, -0.0001571800000000 ]  - [  -0.0000907800000000, -0.0000921200000000, -0.0000912000000000 ]  - [  -0.0000587500000000,  0.0000405900000000,  0.0001138800000000 ]  - [  -0.0000583000000000, -0.0000501200000000,  0.0000850200000000 ]  - [  -0.0003992200000000,  0.0013969100000000, -0.0015039800000000 ]  - [  -0.0001008800000000,  0.0000627800000000, -0.0000950100000000 ]  - [   0.0010987000000000, -0.0003141700000000,  0.0001452300000000 ]  - [   0.0000183500000000,  0.0000306200000000,  0.0000371500000000 ]  - [  -0.0000651500000000,  0.0001419400000000, -0.0000555200000000 ]  - [   0.0008860600000000,  0.0002265200000000,  0.0001626500000000 ]  - [  -0.0000064500000000, -0.0000849300000000,  0.0000260300000000 ]  - [   0.0000343800000000,  0.0000284100000000,  0.0000383400000000 ]  - [  -0.0000267600000000, -0.0000050800000000,  0.0000500300000000 ]  - [  -0.0000317500000000, -0.0002779000000000,  0.0000307800000000 ]  - [   0.0000582100000000,  0.0001501200000000,  0.0001351200000000 ]  - [  -0.0002660100000000, -0.0001035600000000, -0.0000567700000000 ]  - [   0.0055670100000000,  0.0000294900000000,  0.0024143600000000 ]  - [  -0.0003946200000000,  0.0003503600000000,  0.0000891900000000 ]  - [  -0.0000701700000000, -0.0000487400000000, -0.0000001700000000 ]  - [  -0.0001042400000000, -0.0001195200000000,  0.0002815700000000 ]  - [   0.0001753000000000, -0.0001233900000000, -0.0002013700000000 ]  - [   0.0005116900000000, -0.0010586200000000,  0.0010731700000000 ]  - [   0.0002119200000000,  0.0000214000000000, -0.0000516500000000 ]  - [  -0.0000053400000000,  0.0000139800000000,  0.0000042100000000 ]  - [  -0.0000351900000000,  0.0000384100000000,  0.0000272800000000 ]  - [   0.0000237800000000, -0.0000060200000000,  0.0000145900000000 ]  - [   0.0009252600000000,  0.0002662900000000,  0.0009334700000000 ]  - [   0.0030164300000000,  0.0011359200000000,  0.0011826400000000 ]  - [  -0.0000072900000000, -0.0000949400000000,  0.0000454900000000 ]  - [  -0.0001495500000000,  0.0004034100000000, -0.0003386300000000 ]  - [   0.0004134900000000, -0.0009936700000000, -0.0001955600000000 ]  - [   0.0000465500000000, -0.0000576000000000, -0.0000211500000000 ]  - [   0.0001154600000000, -0.0000591400000000, -0.0000403200000000 ]  - [   0.0000845000000000,  0.0000441400000000,  0.0000327200000000 ]  - [  -0.0142783500000000,  0.0014337100000000, -0.0014126200000000 ]  - [   0.0001347900000000, -0.0001051400000000, -0.0001188400000000 ]  - [  -0.0000315800000000, -0.0001101600000000,  0.0001289600000000 ]  - [   0.0000933300000000,  0.0001297400000000,  0.0000965200000000 ]  - [   0.0012696900000000, -0.0003203900000000, -0.0014205300000000 ]  - [  -0.0000524800000000, -0.0000012500000000, -0.0000842400000000 ]  - [  -0.0004366900000000, -0.0009232200000000, -0.0002998500000000 ]  - [  -0.0003590700000000,  0.0001071500000000,  0.0002044400000000 ]  - [  -0.0000310100000000,  0.0000389400000000, -0.0000977500000000 ]  - [   0.0002354100000000,  0.0000966500000000,  0.0000768800000000 ]  - [  -0.0000035100000000,  0.0000637600000000, -0.0000306600000000 ]  - [   0.0000482300000000, -0.0001398700000000, -0.0000149900000000 ]  - [  -0.0000614600000000, -0.0001119400000000,  0.0000617000000000 ]  - [   0.0002439900000000, -0.0000105400000000,  0.0000892400000000 ]  - [   0.0008091100000000,  0.0013450800000000, -0.0001646800000000 ]  - [   0.0001714500000000,  0.0000419400000000,  0.0001654800000000 ]  - [  -0.0003399400000000,  0.0004067800000000, -0.0013139500000000 ]  - [   0.0000012800000000, -0.0000324400000000,  0.0001060200000000 ]  - [   0.0000437600000000,  0.0000470200000000,  0.0001209400000000 ]  - [  -0.0000072200000000, -0.0000077900000000, -0.0000763600000000 ]  - [   0.0004096800000000, -0.0003767800000000,  0.0003417800000000 ]  - [  -0.0004649400000000,  0.0009967400000000,  0.0005845700000000 ]  - [   0.0000509800000000,  0.0004095600000000, -0.0000754000000000 ]  - [   0.0007426200000000, -0.0008102400000000, -0.0025891700000000 ]  - [   0.0007770400000000, -0.0024787100000000,  0.0024071700000000 ]  - [   0.0000124700000000,  0.0001474300000000,  0.0000850200000000 ]  - [   0.0001069800000000, -0.0000282800000000, -0.0000264100000000 ]  - [  -0.0001125300000000, -0.0000589600000000, -0.0000442700000000 ]- atom:   45  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000290600000000,  0.0000323900000000,  0.0000005600000000 ]  - [   0.0004881400000000,  0.0011920400000000, -0.0002084800000000 ]  - [  -0.0003475500000000,  0.0002623900000000,  0.0006279300000000 ]  - [   0.0005861000000000,  0.0000639600000000, -0.0001785500000000 ]  - [  -0.0001817400000000, -0.0012221100000000,  0.0003523600000000 ]  - [   0.0000327100000000, -0.0001257500000000,  0.0000524400000000 ]  - [   0.0000493300000000, -0.0000606500000000,  0.0000750400000000 ]  - [  -0.0003644500000000,  0.0003201300000000, -0.0000069500000000 ]  - [   0.0000106800000000,  0.0000885500000000, -0.0000632500000000 ]  - [   0.0001334300000000, -0.0000275000000000,  0.0000518300000000 ]  - [   0.0000476600000000, -0.0000424400000000, -0.0000209800000000 ]  - [  -0.0000576100000000, -0.0000896500000000, -0.0000421600000000 ]  - [  -0.0000883800000000,  0.0001185400000000,  0.0000670300000000 ]  - [   0.0001513200000000, -0.0000661300000000,  0.0001006200000000 ]  - [   0.0002591100000000, -0.0012336900000000,  0.0016626200000000 ]  - [   0.0002830800000000,  0.0000596800000000, -0.0000400000000000 ]  - [  -0.0009909900000000,  0.0002493000000000, -0.0001775800000000 ]  - [   0.0000833100000000,  0.0000453800000000, -0.0000181800000000 ]  - [  -0.0000379600000000, -0.0002102000000000,  0.0000713800000000 ]  - [  -0.0008206200000000, -0.0002014300000000, -0.0000638000000000 ]  - [   0.0000256400000000, -0.0000183200000000, -0.0001013500000000 ]  - [  -0.0000149600000000,  0.0000748800000000,  0.0000318100000000 ]  - [  -0.0000479500000000, -0.0000163900000000,  0.0000552100000000 ]  - [   0.0000135400000000,  0.0003886700000000, -0.0001011500000000 ]  - [  -0.0001324800000000, -0.0001311400000000, -0.0002409900000000 ]  - [   0.0003408600000000,  0.0000775100000000, -0.0000544900000000 ]  - [  -0.0052583400000000, -0.0001435200000000, -0.0023521400000000 ]  - [   0.0002817900000000, -0.0002666500000000, -0.0001152600000000 ]  - [  -0.0000353300000000, -0.0000298600000000,  0.0000584700000000 ]  - [  -0.0002302400000000, -0.0002112200000000,  0.0000493700000000 ]  - [   0.0001655800000000, -0.0002066300000000, -0.0001237600000000 ]  - [  -0.0008404000000000,  0.0013842000000000, -0.0013959700000000 ]  - [  -0.0002405800000000, -0.0000466000000000,  0.0000340500000000 ]  - [   0.0000254800000000,  0.0000107900000000, -0.0000270400000000 ]  - [   0.0000214700000000, -0.0000144600000000,  0.0000064500000000 ]  - [   0.0000051500000000, -0.0000144000000000,  0.0000072300000000 ]  - [  -0.0007985900000000, -0.0003515600000000, -0.0011036000000000 ]  - [  -0.0032380600000000, -0.0010525400000000, -0.0012847200000000 ]  - [  -0.0000864600000000, -0.0000816900000000,  0.0000649100000000 ]  - [   0.0002316700000000, -0.0002070600000000,  0.0004298700000000 ]  - [  -0.0005927800000000,  0.0008678200000000,  0.0002781800000000 ]  - [   0.0000409600000000, -0.0001241400000000, -0.0000943800000000 ]  - [   0.0000631000000000, -0.0000531700000000, -0.0000494000000000 ]  - [   0.0001137400000000,  0.0000502600000000,  0.0000451300000000 ]  - [   0.0137529300000000, -0.0012251400000000,  0.0012427200000000 ]  - [   0.0001099800000000, -0.0001375900000000, -0.0001267900000000 ]  - [  -0.0002159900000000, -0.0001344100000000,  0.0001130700000000 ]  - [   0.0001297900000000,  0.0000980300000000,  0.0001275000000000 ]  - [  -0.0013860900000000,  0.0002588600000000,  0.0015553300000000 ]  - [  -0.0000260600000000,  0.0000600300000000, -0.0000210700000000 ]  - [   0.0003614400000000,  0.0011098500000000,  0.0001960000000000 ]  - [   0.0004195700000000, -0.0002062500000000, -0.0002812300000000 ]  - [  -0.0000948700000000,  0.0000678100000000,  0.0000322800000000 ]  - [   0.0000926800000000,  0.0002364800000000,  0.0002610600000000 ]  - [  -0.0000598000000000,  0.0000586500000000, -0.0000764800000000 ]  - [   0.0000646400000000,  0.0000591600000000, -0.0000493700000000 ]  - [  -0.0000043400000000, -0.0000011200000000,  0.0000189000000000 ]  - [  -0.0001811400000000,  0.0001334400000000,  0.0000160000000000 ]  - [  -0.0006874900000000, -0.0012226300000000,  0.0002224700000000 ]  - [  -0.0000896800000000,  0.0000179100000000, -0.0000592600000000 ]  - [   0.0002310900000000, -0.0003241500000000,  0.0011280300000000 ]  - [  -0.0001174700000000, -0.0000539100000000,  0.0000789500000000 ]  - [   0.0000451800000000,  0.0000344900000000,  0.0000701400000000 ]  - [   0.0001130900000000, -0.0000576600000000, -0.0000515600000000 ]  - [   0.0003214900000000, -0.0003508600000000,  0.0003925700000000 ]  - [  -0.0002598200000000, -0.0002588500000000,  0.0001475900000000 ]  - [   0.0006856000000000,  0.0003189100000000, -0.0006663400000000 ]  - [  -0.0014734200000000,  0.0000542500000000,  0.0018399500000000 ]  - [  -0.0006995800000000,  0.0024360300000000, -0.0023204700000000 ]  - [  -0.0001028200000000, -0.0000594200000000,  0.0000335800000000 ]  - [   0.0000341100000000,  0.0001179100000000, -0.0000304400000000 ]  - [   0.0000176400000000, -0.0000674000000000, -0.0000514700000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0310849400000000, -0.0215926900000000,  0.0199621800000000 ]  - [  -0.0004907700000000, -0.0001280600000000, -0.0002555700000000 ]  - [  -0.0008290500000000, -0.0004063600000000, -0.0002578000000000 ]  - [   0.0001331400000000,  0.0005639700000000,  0.0004930700000000 ]  - [  -0.0000853000000000,  0.0001234500000000, -0.0001463500000000 ]  - [   0.0005814100000000, -0.0004571400000000,  0.0002016500000000 ]  - [  -0.0003886900000000, -0.0000079500000000,  0.0000730400000000 ]  - [  -0.0002270300000000,  0.0000697300000000, -0.0000444800000000 ]  - [  -0.0008032700000000,  0.0003327400000000,  0.0001985900000000 ]  - [   0.0003118500000000,  0.0005535500000000,  0.0005217600000000 ]  - [   0.0004530800000000,  0.0000942500000000,  0.0000426400000000 ]  - [  -0.0002022300000000, -0.0003381300000000,  0.0002129600000000 ]  - [  -0.0003354900000000,  0.0006552900000000, -0.0000176400000000 ]  - [   0.0007030400000000,  0.0003017000000000, -0.0002551000000000 ]  - [   0.0001445100000000,  0.0003577600000000, -0.0003894900000000 ]  - [   0.0006042700000000,  0.0000863500000000, -0.0001593800000000 ]  - [  -0.0000658000000000, -0.0000941700000000,  0.0000769400000000 ]  - [   0.0100690500000000, -0.0025824900000000, -0.0017331700000000 ]  - [  -0.0003914300000000, -0.0003853200000000, -0.0004638900000000 ]  - [   0.0001148000000000,  0.0000533400000000,  0.0000826900000000 ]  - [   0.0199338600000000,  0.0015276400000000, -0.0245349700000000 ]  - [  -0.0010437000000000, -0.0005182200000000, -0.0001903900000000 ]  - [   0.0708463000000000,  0.0241336900000000,  0.0039844700000000 ]  - [  -0.0003621300000000, -0.0006676700000000, -0.0000052700000000 ]  - [  -0.0012838500000000,  0.0005600900000000,  0.0001535700000000 ]  - [   0.0000721800000000,  0.0001887800000000,  0.0002223100000000 ]  - [   0.0000845100000000, -0.0001791600000000, -0.0001544200000000 ]  - [   0.0002192900000000, -0.0010078100000000,  0.0007175500000000 ]  - [   0.0000460800000000,  0.0000101800000000, -0.0000044800000000 ]  - [  -0.0003700200000000, -0.0004866000000000, -0.0000204900000000 ]  - [   0.0018016200000000,  0.0004483700000000, -0.0013604100000000 ]  - [  -0.0001896000000000,  0.0002613500000000, -0.0000545300000000 ]  - [  -0.0000939600000000, -0.0000470800000000,  0.0000583000000000 ]  - [   0.0001037900000000,  0.0000478900000000, -0.0000810900000000 ]  - [   0.0001973300000000,  0.0000471500000000,  0.0000981500000000 ]  - [   0.0005590500000000, -0.0037792100000000,  0.0039997300000000 ]  - [   0.0000567400000000,  0.0001139800000000,  0.0000483300000000 ]  - [  -0.0000125000000000,  0.0000350500000000,  0.0000075800000000 ]  - [  -0.0018341700000000,  0.0013229200000000, -0.0037818600000000 ]  - [   0.0001472200000000,  0.0001813200000000,  0.0000068000000000 ]  - [  -0.0002182500000000,  0.0000084400000000, -0.0001868400000000 ]  - [   0.0002728600000000, -0.0004404500000000, -0.0001145600000000 ]  - [  -0.0007187600000000, -0.0037083100000000, -0.0018087300000000 ]  - [   0.0025989200000000,  0.0001690900000000,  0.0006001200000000 ]  - [  -0.0000984700000000,  0.0001739900000000, -0.0001417200000000 ]  - [   0.0000099800000000,  0.0020899500000000, -0.0000831200000000 ]  - [  -0.0002909200000000,  0.0002248900000000, -0.0004867300000000 ]  - [   0.0011831700000000,  0.0003608200000000, -0.0005708700000000 ]  - [  -0.0000346600000000, -0.0000414600000000,  0.0000744500000000 ]  - [   0.0009045600000000, -0.0017342000000000, -0.0008484500000000 ]  - [   0.0000760500000000,  0.0000569400000000, -0.0000396400000000 ]  - [   0.0001418900000000,  0.0000333600000000,  0.0000177500000000 ]  - [   0.0000047400000000,  0.0006637300000000,  0.0004994700000000 ]  - [   0.0003993400000000, -0.0003850600000000, -0.0004583200000000 ]  - [  -0.0012087900000000, -0.0003569200000000,  0.0019690300000000 ]  - [   0.0008165600000000, -0.0001549500000000,  0.0010310600000000 ]  - [   0.0011900100000000, -0.0005133000000000,  0.0003318700000000 ]  - [   0.0000883800000000,  0.0002052300000000,  0.0000856700000000 ]  - [  -0.0000954100000000, -0.0000115600000000, -0.0000468100000000 ]  - [  -0.0001245800000000, -0.0011591200000000,  0.0004619400000000 ]  - [  -0.0000002600000000,  0.0001845700000000, -0.0001376300000000 ]  - [   0.0003487000000000,  0.0001212700000000, -0.0004985400000000 ]  - [   0.0044361600000000,  0.0037462100000000,  0.0027130400000000 ]  - [  -0.0000511300000000, -0.0001667000000000,  0.0000252500000000 ]  - [  -0.1389830800000000,  0.0008013000000000,  0.0004483800000000 ]  - [   0.0003864100000000,  0.0005224600000000,  0.0002587300000000 ]  - [   0.0014890400000000,  0.0003929800000000, -0.0002997600000000 ]  - [  -0.0006809700000000, -0.0003045300000000, -0.0007234200000000 ]  - [  -0.0003655300000000, -0.0001014800000000,  0.0005023700000000 ]  - [  -0.0000674700000000, -0.0003198600000000, -0.0004394600000000 ]  - [  -0.0000530700000000,  0.0008129100000000,  0.0006393700000000 ]  - [  -0.0006145000000000, -0.0005627400000000, -0.0000254600000000 ]- atom:   65  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0306004700000000,  0.0209292700000000, -0.0192605400000000 ]  - [   0.0006724600000000,  0.0000257300000000,  0.0000998500000000 ]  - [   0.0006102100000000,  0.0002301000000000,  0.0004654200000000 ]  - [   0.0000168500000000, -0.0003074300000000, -0.0003022700000000 ]  - [  -0.0000677500000000, -0.0001835900000000,  0.0000096200000000 ]  - [  -0.0007442200000000,  0.0005569100000000, -0.0001015500000000 ]  - [   0.0005723700000000, -0.0001447200000000,  0.0001100000000000 ]  - [   0.0003891200000000,  0.0000662700000000, -0.0001407000000000 ]  - [   0.0010707700000000, -0.0001897800000000, -0.0004458900000000 ]  - [  -0.0001340500000000, -0.0007466600000000, -0.0003478600000000 ]  - [  -0.0006443900000000, -0.0002842000000000, -0.0001836700000000 ]  - [  -0.0003841100000000,  0.0001458800000000, -0.0009163200000000 ]  - [   0.0002433900000000, -0.0005479700000000,  0.0002456300000000 ]  - [  -0.0005771600000000, -0.0005505600000000,  0.0004269200000000 ]  - [  -0.0000593800000000, -0.0001411200000000,  0.0002882100000000 ]  - [  -0.0004059900000000,  0.0001339900000000, -0.0000709100000000 ]  - [   0.0001893300000000,  0.0000385000000000, -0.0000950500000000 ]  - [  -0.0099528000000000,  0.0025530600000000,  0.0016858700000000 ]  - [   0.0003610300000000,  0.0003251500000000,  0.0004045300000000 ]  - [  -0.0000664700000000, -0.0000792000000000,  0.0000071900000000 ]  - [  -0.0198955000000000, -0.0015894900000000,  0.0238858900000000 ]  - [   0.0010864800000000,  0.0006168900000000,  0.0002398100000000 ]  - [  -0.0745334700000000, -0.0257725800000000, -0.0041778700000000 ]  - [   0.0004240500000000,  0.0007468300000000,  0.0000058800000000 ]  - [   0.0012395400000000, -0.0005381600000000, -0.0002951200000000 ]  - [  -0.0000068200000000, -0.0001947500000000, -0.0002902900000000 ]  - [  -0.0000997900000000,  0.0000427100000000,  0.0002023200000000 ]  - [  -0.0003762300000000,  0.0010211800000000, -0.0007743700000000 ]  - [  -0.0001581600000000, -0.0000600500000000,  0.0000518700000000 ]  - [   0.0000248800000000,  0.0001496600000000,  0.0003803700000000 ]  - [  -0.0014938100000000, -0.0007855300000000,  0.0010961400000000 ]  - [  -0.0002208000000000,  0.0001304400000000, -0.0002570800000000 ]  - [   0.0000209600000000, -0.0000993000000000, -0.0001436600000000 ]  - [  -0.0000283000000000,  0.0000530500000000,  0.0000336300000000 ]  - [  -0.0002699500000000, -0.0000173200000000, -0.0000019700000000 ]  - [  -0.0004607000000000,  0.0037671300000000, -0.0038584800000000 ]  - [  -0.0000834600000000, -0.0001636500000000, -0.0002438100000000 ]  - [  -0.0001172200000000, -0.0000030800000000, -0.0000860600000000 ]  - [   0.0017987700000000, -0.0015621500000000,  0.0036705500000000 ]  - [  -0.0000968300000000, -0.0000086500000000, -0.0000349300000000 ]  - [  -0.0000837500000000,  0.0000746600000000,  0.0001255100000000 ]  - [  -0.0002062800000000,  0.0002053800000000,  0.0001112200000000 ]  - [   0.0009266900000000,  0.0036927300000000,  0.0017366100000000 ]  - [  -0.0024583300000000, -0.0001526300000000, -0.0005855000000000 ]  - [  -0.0001682000000000,  0.0000973900000000, -0.0001496700000000 ]  - [   0.0001708100000000, -0.0022913500000000, -0.0000980700000000 ]  - [   0.0002211000000000, -0.0003068100000000,  0.0005150500000000 ]  - [  -0.0009860500000000, -0.0001642900000000,  0.0007642300000000 ]  - [   0.0000358800000000, -0.0000331900000000,  0.0000292400000000 ]  - [  -0.0009485500000000,  0.0017953500000000,  0.0007721400000000 ]  - [  -0.0001157500000000,  0.0000988700000000, -0.0000566900000000 ]  - [  -0.0000921800000000, -0.0001387900000000, -0.0000570500000000 ]  - [  -0.0001127000000000, -0.0006691000000000, -0.0005607600000000 ]  - [  -0.0000140300000000,  0.0007416800000000,  0.0008839400000000 ]  - [   0.0011666900000000,  0.0003949300000000, -0.0018785200000000 ]  - [  -0.0005643100000000,  0.0000429700000000, -0.0011679800000000 ]  - [  -0.0012523100000000,  0.0003619600000000, -0.0001937800000000 ]  - [   0.0000180000000000, -0.0000441400000000, -0.0000870000000000 ]  - [   0.0000561600000000, -0.0000565000000000,  0.0000272200000000 ]  - [   0.0002660900000000,  0.0012215400000000, -0.0003164900000000 ]  - [  -0.0000936500000000, -0.0000977900000000,  0.0000138300000000 ]  - [  -0.0001632200000000, -0.0001085700000000,  0.0007959900000000 ]  - [  -0.0043642300000000, -0.0036646400000000, -0.0024889700000000 ]  - [  -0.0001008300000000,  0.0000974200000000, -0.0000871200000000 ]  - [   0.1422690600000000,  0.0009766900000000,  0.0002671600000000 ]  - [  -0.0011342600000000,  0.0001217600000000,  0.0003284200000000 ]  - [  -0.0007161700000000,  0.0003220500000000, -0.0004560000000000 ]  - [  -0.0000422000000000, -0.0004384200000000, -0.0001348500000000 ]  - [   0.0001347900000000, -0.0001072800000000, -0.0000608500000000 ]  - [  -0.0000382700000000,  0.0004093400000000,  0.0005769500000000 ]  - [   0.0008116700000000, -0.0004852100000000,  0.0001307100000000 ]  - [   0.0003359600000000,  0.0005411800000000,  0.0000198200000000 ]- atom:   69  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006140300000000, -0.0007664000000000,  0.0004770900000000 ]  - [   0.0002201400000000, -0.0008074300000000, -0.0000876400000000 ]  - [   0.0001192200000000, -0.0001891300000000, -0.0003172200000000 ]  - [  -0.0001944900000000, -0.0006785400000000, -0.0001080600000000 ]  - [   0.0031376100000000,  0.0005757100000000, -0.0019196800000000 ]  - [   0.0002565800000000,  0.0002129200000000,  0.0000588800000000 ]  - [   0.0006090600000000, -0.0007028900000000,  0.0009685600000000 ]  - [   0.0588081600000000,  0.0479812900000000, -0.0013925000000000 ]  - [   0.0000882200000000,  0.0003583300000000, -0.0001102500000000 ]  - [   0.0001589200000000,  0.0002407300000000,  0.0003640400000000 ]  - [  -0.0001438000000000,  0.0000352300000000, -0.0001603800000000 ]  - [  -0.0001590800000000, -0.0007044700000000,  0.0004565100000000 ]  - [   0.0000445100000000,  0.0003798100000000, -0.0002759000000000 ]  - [  -0.0004768800000000,  0.0003576100000000,  0.0001361800000000 ]  - [   0.0386401700000000,  0.0014064300000000, -0.0439147200000000 ]  - [  -0.0003928600000000, -0.0000477400000000,  0.0004670800000000 ]  - [   0.0004730500000000,  0.0002362100000000,  0.0008601000000000 ]  - [  -0.0002736100000000,  0.0001496600000000, -0.0003241100000000 ]  - [   0.0004291000000000, -0.0002089100000000, -0.0003980800000000 ]  - [  -0.0002980900000000, -0.0007866200000000, -0.0002589800000000 ]  - [  -0.0000232300000000,  0.0003021900000000, -0.0000582600000000 ]  - [  -0.0001178600000000,  0.0001062600000000,  0.0008486400000000 ]  - [  -0.0002866300000000,  0.0001400100000000,  0.0002572300000000 ]  - [   0.0004703600000000, -0.0001504100000000,  0.0002548700000000 ]  - [   0.0002422200000000,  0.0000819600000000,  0.0007834900000000 ]  - [  -0.0005163700000000,  0.0000679700000000, -0.0007296600000000 ]  - [   0.0001012100000000,  0.0000698200000000, -0.0002986600000000 ]  - [  -0.0002071200000000,  0.0008813400000000,  0.0001882400000000 ]  - [  -0.0000633400000000, -0.0003485400000000, -0.0000401200000000 ]  - [  -0.0001918200000000, -0.0003075500000000,  0.0001432800000000 ]  - [   0.0013598800000000,  0.0005787200000000, -0.0010425900000000 ]  - [  -0.0001887800000000,  0.0001836100000000, -0.0001116900000000 ]  - [   0.0013868500000000, -0.0000159900000000,  0.0001324300000000 ]  - [   0.0000599000000000, -0.0002296400000000,  0.0002114300000000 ]  - [   0.0002339200000000,  0.0017690300000000,  0.0001467500000000 ]  - [  -0.0000519700000000, -0.0001410000000000,  0.0000852500000000 ]  - [   0.0000632000000000,  0.0000205500000000, -0.0002022400000000 ]  - [   0.0003751400000000,  0.0024875800000000, -0.0001223000000000 ]  - [   0.0000009100000000, -0.0000153100000000,  0.0000534400000000 ]  - [   0.0000883500000000,  0.0001466800000000,  0.0002637000000000 ]  - [  -0.0001700100000000,  0.0001566800000000, -0.0000858500000000 ]  - [   0.0000353900000000, -0.0001659700000000,  0.0000664600000000 ]  - [   0.0001419900000000, -0.0000371900000000, -0.0000680700000000 ]  - [   0.0000553600000000,  0.0002845400000000,  0.0000598200000000 ]  - [   0.0006280100000000, -0.0022751800000000,  0.0023682400000000 ]  - [   0.0001064400000000, -0.0000895000000000, -0.0001461000000000 ]  - [  -0.0000716100000000, -0.0000778100000000,  0.0001027600000000 ]  - [   0.0002256500000000,  0.0002662000000000,  0.0001784500000000 ]  - [   0.0001669100000000,  0.0004669600000000, -0.0014612700000000 ]  - [  -0.0002213900000000,  0.0001286600000000, -0.0002647300000000 ]  - [  -0.0010028800000000, -0.0000308000000000,  0.0022398400000000 ]  - [   0.0000102500000000,  0.0000548200000000, -0.0000196600000000 ]  - [   0.0000369000000000, -0.0000998900000000,  0.0000340600000000 ]  - [   0.0007454300000000, -0.0009149100000000, -0.0011308500000000 ]  - [   0.0000102200000000,  0.0000431900000000,  0.0000382500000000 ]  - [   0.0001165700000000, -0.0030954600000000,  0.0008766600000000 ]  - [  -0.0010705000000000, -0.0001420200000000, -0.0014761700000000 ]  - [   0.0002743800000000,  0.0002320300000000, -0.0000953500000000 ]  - [   0.0014908600000000, -0.0001496300000000,  0.0008259600000000 ]  - [   0.0031245600000000,  0.0001672900000000,  0.0031809300000000 ]  - [   0.0039435600000000, -0.0025934400000000, -0.0020060000000000 ]  - [  -0.0000800100000000, -0.0000215400000000,  0.0001659200000000 ]  - [   0.0002446800000000,  0.0000683100000000, -0.0000484700000000 ]  - [   0.0000880200000000,  0.0001478700000000,  0.0002009400000000 ]  - [   0.0002934400000000, -0.0004955500000000,  0.0003267100000000 ]  - [  -0.0003930600000000,  0.0004931500000000,  0.0008226800000000 ]  - [  -0.0003326400000000, -0.0001794800000000, -0.0010322400000000 ]  - [  -0.0007007300000000, -0.0005596000000000, -0.0000177400000000 ]  - [  -0.1107822800000000, -0.0436771200000000,  0.0419113800000000 ]  - [  -0.0000575100000000,  0.0000913000000000,  0.0000761000000000 ]  - [  -0.0005472600000000,  0.0000651100000000, -0.0008416400000000 ]  - [  -0.0007035200000000, -0.0007301100000000, -0.0000651700000000 ]- atom:   69  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007949200000000,  0.0009815400000000, -0.0006730700000000 ]  - [  -0.0000335900000000,  0.0005851700000000, -0.0001142400000000 ]  - [  -0.0003157300000000,  0.0000010500000000,  0.0005131600000000 ]  - [   0.0003613400000000,  0.0007845900000000,  0.0002399100000000 ]  - [  -0.0033944400000000, -0.0005486300000000,  0.0018012900000000 ]  - [  -0.0004459400000000, -0.0002863800000000, -0.0000931100000000 ]  - [  -0.0003827700000000,  0.0008285300000000, -0.0010382900000000 ]  - [  -0.0567763500000000, -0.0455801500000000,  0.0010071300000000 ]  - [  -0.0001458200000000, -0.0001594900000000,  0.0002138400000000 ]  - [  -0.0000292200000000, -0.0004210700000000, -0.0001927400000000 ]  - [  -0.0000719100000000, -0.0002519900000000, -0.0000283700000000 ]  - [   0.0002881700000000,  0.0005520100000000, -0.0003208200000000 ]  - [   0.0000746800000000, -0.0004783900000000,  0.0004223000000000 ]  - [   0.0004185800000000, -0.0003371600000000,  0.0000599400000000 ]  - [  -0.0398011600000000, -0.0013007800000000,  0.0456988300000000 ]  - [   0.0005222900000000,  0.0002462100000000, -0.0006536300000000 ]  - [  -0.0003692700000000, -0.0002887800000000, -0.0008846700000000 ]  - [   0.0003594500000000, -0.0000881100000000,  0.0003550700000000 ]  - [  -0.0005469900000000,  0.0001141100000000,  0.0004385800000000 ]  - [   0.0004001000000000,  0.0008125600000000,  0.0003762900000000 ]  - [   0.0000364900000000, -0.0004079700000000, -0.0000332300000000 ]  - [   0.0001696800000000,  0.0000115500000000, -0.0007703400000000 ]  - [   0.0002405700000000, -0.0001367200000000, -0.0001825000000000 ]  - [  -0.0005169100000000,  0.0002355600000000, -0.0003120100000000 ]  - [  -0.0003239300000000, -0.0000389900000000, -0.0008986800000000 ]  - [   0.0005611500000000, -0.0000861600000000,  0.0006291500000000 ]  - [  -0.0000953400000000, -0.0001629100000000,  0.0003982500000000 ]  - [   0.0001185500000000, -0.0007947600000000, -0.0001920300000000 ]  - [  -0.0001779700000000, -0.0000395200000000,  0.0001463700000000 ]  - [  -0.0000752500000000, -0.0000362500000000,  0.0001776600000000 ]  - [  -0.0010686000000000, -0.0008280400000000,  0.0007377400000000 ]  - [  -0.0001344800000000,  0.0000389500000000, -0.0002093200000000 ]  - [  -0.0014041200000000,  0.0000742600000000, -0.0001861200000000 ]  - [  -0.0000815200000000,  0.0001156500000000, -0.0000953300000000 ]  - [  -0.0001365100000000, -0.0018046600000000, -0.0002566300000000 ]  - [  -0.0000973200000000,  0.0001897300000000, -0.0002076600000000 ]  - [   0.0000560000000000, -0.0001262000000000, -0.0000756100000000 ]  - [  -0.0006086500000000, -0.0023067900000000, -0.0000036400000000 ]  - [  -0.0002038400000000, -0.0001135800000000,  0.0004256200000000 ]  - [   0.0001118900000000, -0.0000736600000000,  0.0001600500000000 ]  - [   0.0000963000000000, -0.0005185700000000,  0.0002506900000000 ]  - [   0.0000022300000000, -0.0000673900000000, -0.0001040200000000 ]  - [   0.0001277200000000, -0.0000849600000000, -0.0000296100000000 ]  - [   0.0000237000000000,  0.0001840500000000,  0.0001339600000000 ]  - [  -0.0008490200000000,  0.0024920000000000, -0.0026087700000000 ]  - [   0.0000682600000000, -0.0001109700000000, -0.0000195100000000 ]  - [  -0.0003630800000000, -0.0003436700000000,  0.0003406400000000 ]  - [   0.0002217100000000,  0.0001799400000000,  0.0002519700000000 ]  - [  -0.0002011500000000, -0.0005289700000000,  0.0015027600000000 ]  - [  -0.0001653300000000, -0.0000473700000000,  0.0000857600000000 ]  - [   0.0008445700000000,  0.0002401400000000, -0.0024513000000000 ]  - [   0.0000749100000000, -0.0002626100000000, -0.0003480200000000 ]  - [  -0.0000389100000000,  0.0001168300000000, -0.0000898700000000 ]  - [  -0.0004514300000000,  0.0012697200000000,  0.0013816200000000 ]  - [  -0.0001059000000000,  0.0001900800000000, -0.0004050200000000 ]  - [  -0.0000540300000000,  0.0029729000000000, -0.0009165800000000 ]  - [   0.0010291900000000,  0.0000578100000000,  0.0016282800000000 ]  - [  -0.0002635600000000, -0.0002339100000000,  0.0000867200000000 ]  - [  -0.0012509500000000,  0.0004542300000000, -0.0007628200000000 ]  - [  -0.0030869400000000, -0.0001305100000000, -0.0030655900000000 ]  - [  -0.0040089400000000,  0.0026296300000000,  0.0017598300000000 ]  - [  -0.0003643000000000, -0.0001783700000000, -0.0000996000000000 ]  - [   0.0002278400000000,  0.0001371300000000,  0.0001535900000000 ]  - [   0.0002628800000000, -0.0001817200000000, -0.0003733500000000 ]  - [   0.0003943700000000, -0.0002951500000000,  0.0004394100000000 ]  - [  -0.0003931900000000,  0.0002955800000000, -0.0001039000000000 ]  - [   0.0010739800000000,  0.0008786300000000,  0.0002394500000000 ]  - [  -0.0000102100000000, -0.0001595700000000, -0.0007071300000000 ]  - [   0.1103900300000000,  0.0414521000000000, -0.0433638300000000 ]  - [   0.0000348600000000,  0.0000624400000000,  0.0001143200000000 ]  - [   0.0004834800000000,  0.0000197100000000,  0.0006469800000000 ]  - [   0.0005645200000000,  0.0006364700000000,  0.0000538000000000 ]