# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/379fcc77-9c71-40b0-adac-ed7015585009/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 Hf(Se2Cl3)2 / P4_2/ncm (138) / materials id 29420](https://mdr.nims.go.jp/datasets/66912e56-1419-455e-a516-98dd155626b2)

## 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: "P4_2/ncm"  number: 138  Hall_symbol: "P 4n 2ab -1n"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.836534680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.836534680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.541906859999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.419787750000000,  0.694130180000000,  0.893702240000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.580212250000000,  0.305869820000000,  0.893702240000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.194130180000000,  0.080212250000000,  0.393702240000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.805869820000000,  0.919787750000000,  0.393702240000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.694130180000000,  0.419787750000000,  0.606297760000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.080212250000000,  0.194130180000000,  0.106297760000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.919787750000000,  0.805869820000000,  0.106297760000000 ]    mass: 35.453000  - symbol: Cl # 8    coordinates: [  0.305869820000000,  0.580212250000000,  0.606297760000000 ]    mass: 35.453000  - symbol: Cl # 9    coordinates: [  0.080212250000000,  0.805869820000000,  0.606297760000000 ]    mass: 35.453000  - symbol: Cl # 10    coordinates: [  0.919787750000000,  0.194130180000000,  0.606297760000000 ]    mass: 35.453000  - symbol: Cl # 11    coordinates: [  0.305869820000000,  0.419787750000000,  0.106297760000000 ]    mass: 35.453000  - symbol: Cl # 12    coordinates: [  0.694130180000000,  0.580212250000000,  0.106297760000000 ]    mass: 35.453000  - symbol: Cl # 13    coordinates: [  0.805869820000000,  0.080212250000000,  0.893702240000000 ]    mass: 35.453000  - symbol: Cl # 14    coordinates: [  0.419787750000000,  0.305869820000000,  0.393702240000000 ]    mass: 35.453000  - symbol: Cl # 15    coordinates: [  0.580212250000000,  0.694130180000000,  0.393702240000000 ]    mass: 35.453000  - symbol: Cl # 16    coordinates: [  0.194130180000000,  0.919787750000000,  0.893702240000000 ]    mass: 35.453000  - symbol: Cl # 17    coordinates: [  0.115123180000000,  0.615123180000000,  0.866101300000000 ]    mass: 35.453000  - symbol: Cl # 18    coordinates: [  0.884876820000000,  0.384876820000000,  0.866101300000000 ]    mass: 35.453000  - symbol: Cl # 19    coordinates: [  0.115123180000000,  0.384876820000000,  0.366101300000000 ]    mass: 35.453000  - symbol: Cl # 20    coordinates: [  0.884876820000000,  0.615123180000000,  0.366101300000000 ]    mass: 35.453000  - symbol: Cl # 21    coordinates: [  0.384876820000000,  0.884876820000000,  0.633898700000000 ]    mass: 35.453000  - symbol: Cl # 22    coordinates: [  0.615123180000000,  0.884876820000000,  0.133898700000000 ]    mass: 35.453000  - symbol: Cl # 23    coordinates: [  0.384876820000000,  0.115123180000000,  0.133898700000000 ]    mass: 35.453000  - symbol: Cl # 24    coordinates: [  0.615123180000000,  0.115123180000000,  0.633898700000000 ]    mass: 35.453000  - symbol: Se # 25    coordinates: [  0.856443520000000,  0.143556480000000,  0.250000000000000 ]    mass: 78.960000  - symbol: Se # 26    coordinates: [  0.356443520000000,  0.356443520000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Se # 27    coordinates: [  0.643556480000000,  0.643556480000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Se # 28    coordinates: [  0.143556480000000,  0.856443520000000,  0.250000000000000 ]    mass: 78.960000  - symbol: Se # 29    coordinates: [  0.643556480000000,  0.356443520000000,  0.250000000000000 ]    mass: 78.960000  - symbol: Se # 30    coordinates: [  0.143556480000000,  0.143556480000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Se # 31    coordinates: [  0.856443520000000,  0.856443520000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Se # 32    coordinates: [  0.356443520000000,  0.643556480000000,  0.250000000000000 ]    mass: 78.960000  - symbol: Se # 33    coordinates: [  0.157906220000000,  0.657906220000000,  0.168603310000000 ]    mass: 78.960000  - symbol: Se # 34    coordinates: [  0.842093780000000,  0.342093780000000,  0.168603310000000 ]    mass: 78.960000  - symbol: Se # 35    coordinates: [  0.157906220000000,  0.342093780000000,  0.668603310000000 ]    mass: 78.960000  - symbol: Se # 36    coordinates: [  0.842093780000000,  0.657906220000000,  0.668603310000000 ]    mass: 78.960000  - symbol: Se # 37    coordinates: [  0.657906220000000,  0.157906220000000,  0.331396690000000 ]    mass: 78.960000  - symbol: Se # 38    coordinates: [  0.342093780000000,  0.157906220000000,  0.831396690000000 ]    mass: 78.960000  - symbol: Se # 39    coordinates: [  0.657906220000000,  0.842093780000000,  0.831396690000000 ]    mass: 78.960000  - symbol: Se # 40    coordinates: [  0.342093780000000,  0.842093780000000,  0.331396690000000 ]    mass: 78.960000  - symbol: Hf # 41    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 178.490000  - symbol: Hf # 42    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 178.490000  - symbol: Hf # 43    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 178.490000  - symbol: Hf # 44    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 178.490000  reciprocal_lattice: # without 2pi  - [     0.092280422619383,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.092280422619383,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.094859498692251 ] # c*unit_cell:  lattice:  - [    10.836534680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.836534680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.541906859999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.419787750000000,  0.694130180000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.580212250000000,  0.305869820000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.194130180000000,  0.080212250000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.805869820000000,  0.919787750000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.694130180000000,  0.419787750000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.080212250000000,  0.194130180000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.919787750000000,  0.805869820000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.305869820000000,  0.580212250000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.080212250000000,  0.805869820000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.919787750000000,  0.194130180000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.305869820000000,  0.419787750000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.694130180000000,  0.580212250000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 13    coordinates: [  0.805869820000000,  0.080212250000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.419787750000000,  0.305869820000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 15    coordinates: [  0.580212250000000,  0.694130180000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 16    coordinates: [  0.194130180000000,  0.919787750000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 17    coordinates: [  0.115123180000000,  0.615123180000000,  0.866101300000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.884876820000000,  0.384876820000000,  0.866101300000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.115123180000000,  0.384876820000000,  0.366101300000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.884876820000000,  0.615123180000000,  0.366101300000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.384876820000000,  0.884876820000000,  0.633898700000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.615123180000000,  0.884876820000000,  0.133898700000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.384876820000000,  0.115123180000000,  0.133898700000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 24    coordinates: [  0.615123180000000,  0.115123180000000,  0.633898700000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Se # 25    coordinates: [  0.856443520000000,  0.143556480000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 25  - symbol: Se # 26    coordinates: [  0.356443520000000,  0.356443520000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 26  - symbol: Se # 27    coordinates: [  0.643556480000000,  0.643556480000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 27  - symbol: Se # 28    coordinates: [  0.143556480000000,  0.856443520000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 29    coordinates: [  0.643556480000000,  0.356443520000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 29  - symbol: Se # 30    coordinates: [  0.143556480000000,  0.143556480000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 30  - symbol: Se # 31    coordinates: [  0.856443520000000,  0.856443520000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 31  - symbol: Se # 32    coordinates: [  0.356443520000000,  0.643556480000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 32  - symbol: Se # 33    coordinates: [  0.157906220000000,  0.657906220000000,  0.168603310000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 34    coordinates: [  0.842093780000000,  0.342093780000000,  0.168603310000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 35    coordinates: [  0.157906220000000,  0.342093780000000,  0.668603310000000 ]    mass: 78.960000    reduced_to: 35  - symbol: Se # 36    coordinates: [  0.842093780000000,  0.657906220000000,  0.668603310000000 ]    mass: 78.960000    reduced_to: 36  - symbol: Se # 37    coordinates: [  0.657906220000000,  0.157906220000000,  0.331396690000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 38    coordinates: [  0.342093780000000,  0.157906220000000,  0.831396690000000 ]    mass: 78.960000    reduced_to: 38  - symbol: Se # 39    coordinates: [  0.657906220000000,  0.842093780000000,  0.831396690000000 ]    mass: 78.960000    reduced_to: 39  - symbol: Se # 40    coordinates: [  0.342093780000000,  0.842093780000000,  0.331396690000000 ]    mass: 78.960000    reduced_to: 40  - symbol: Hf # 41    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 41  - symbol: Hf # 42    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 42  - symbol: Hf # 43    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 43  - symbol: Hf # 44    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 44supercell:  lattice:  - [    10.836534680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.836534680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.541906859999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.419787750000000,  0.694130180000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.580212250000000,  0.305869820000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.194130180000000,  0.080212250000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.805869820000000,  0.919787750000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.694130180000000,  0.419787750000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.080212250000000,  0.194130180000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.919787750000000,  0.805869820000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.305869820000000,  0.580212250000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.080212250000000,  0.805869820000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.919787750000000,  0.194130180000000,  0.606297760000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.305869820000000,  0.419787750000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.694130180000000,  0.580212250000000,  0.106297760000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 13    coordinates: [  0.805869820000000,  0.080212250000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.419787750000000,  0.305869820000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 15    coordinates: [  0.580212250000000,  0.694130180000000,  0.393702240000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 16    coordinates: [  0.194130180000000,  0.919787750000000,  0.893702240000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 17    coordinates: [  0.115123180000000,  0.615123180000000,  0.866101300000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.884876820000000,  0.384876820000000,  0.866101300000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.115123180000000,  0.384876820000000,  0.366101300000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.884876820000000,  0.615123180000000,  0.366101300000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.384876820000000,  0.884876820000000,  0.633898700000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.615123180000000,  0.884876820000000,  0.133898700000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.384876820000000,  0.115123180000000,  0.133898700000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 24    coordinates: [  0.615123180000000,  0.115123180000000,  0.633898700000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Se # 25    coordinates: [  0.856443520000000,  0.143556480000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 25  - symbol: Se # 26    coordinates: [  0.356443520000000,  0.356443520000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 26  - symbol: Se # 27    coordinates: [  0.643556480000000,  0.643556480000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 27  - symbol: Se # 28    coordinates: [  0.143556480000000,  0.856443520000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 28  - symbol: Se # 29    coordinates: [  0.643556480000000,  0.356443520000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 29  - symbol: Se # 30    coordinates: [  0.143556480000000,  0.143556480000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 30  - symbol: Se # 31    coordinates: [  0.856443520000000,  0.856443520000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 31  - symbol: Se # 32    coordinates: [  0.356443520000000,  0.643556480000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 32  - symbol: Se # 33    coordinates: [  0.157906220000000,  0.657906220000000,  0.168603310000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 34    coordinates: [  0.842093780000000,  0.342093780000000,  0.168603310000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 35    coordinates: [  0.157906220000000,  0.342093780000000,  0.668603310000000 ]    mass: 78.960000    reduced_to: 35  - symbol: Se # 36    coordinates: [  0.842093780000000,  0.657906220000000,  0.668603310000000 ]    mass: 78.960000    reduced_to: 36  - symbol: Se # 37    coordinates: [  0.657906220000000,  0.157906220000000,  0.331396690000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 38    coordinates: [  0.342093780000000,  0.157906220000000,  0.831396690000000 ]    mass: 78.960000    reduced_to: 38  - symbol: Se # 39    coordinates: [  0.657906220000000,  0.842093780000000,  0.831396690000000 ]    mass: 78.960000    reduced_to: 39  - symbol: Se # 40    coordinates: [  0.342093780000000,  0.842093780000000,  0.331396690000000 ]    mass: 78.960000    reduced_to: 40  - symbol: Hf # 41    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 41  - symbol: Hf # 42    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 42  - symbol: Hf # 43    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 178.490000    reduced_to: 43  - symbol: Hf # 44    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 178.490000    reduced_to: 44displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0552247300000000,  0.0098498000000000, -0.0225387300000000 ]  - [  -0.0013435200000000,  0.0006563500000000,  0.0004950000000000 ]  - [  -0.0006448200000000, -0.0008197800000000,  0.0005316800000000 ]  - [   0.0008112400000000,  0.0008188400000000,  0.0005375500000000 ]  - [  -0.0004466400000000, -0.0007207800000000, -0.0003995800000000 ]  - [  -0.0004568700000000, -0.0006431000000000, -0.0004823500000000 ]  - [   0.0012898400000000,  0.0007513200000000, -0.0006282400000000 ]  - [   0.0007982400000000,  0.0019829800000000,  0.0037319900000000 ]  - [   0.0160788000000000, -0.0018466800000000,  0.0052818600000000 ]  - [   0.0014274200000000, -0.0007196400000000, -0.0005824200000000 ]  - [   0.0006194400000000,  0.0008074000000000, -0.0005047900000000 ]  - [  -0.0002995800000000, -0.0008045100000000, -0.0000378900000000 ]  - [   0.0004938900000000,  0.0005308600000000,  0.0004934600000000 ]  - [   0.0004240300000000,  0.0006246800000000,  0.0004500600000000 ]  - [  -0.0012226300000000, -0.0007337900000000,  0.0005489800000000 ]  - [   0.0041725800000000, -0.0067807100000000,  0.0003086600000000 ]  - [   0.0102163900000000,  0.0024058800000000, -0.0005174200000000 ]  - [   0.0013502000000000,  0.0011946700000000, -0.0004154600000000 ]  - [  -0.0008994800000000,  0.0010234600000000, -0.0004501200000000 ]  - [   0.0009377600000000, -0.0008418500000000, -0.0010869800000000 ]  - [  -0.0009188600000000, -0.0014278200000000,  0.0035423800000000 ]  - [  -0.0004484300000000,  0.0009010400000000,  0.0015887900000000 ]  - [   0.0008640700000000, -0.0009784200000000,  0.0004754800000000 ]  - [  -0.0011187700000000, -0.0009883300000000,  0.0004512100000000 ]  - [  -0.0008615200000000,  0.0001707100000000,  0.0002003600000000 ]  - [   0.0009899400000000, -0.0015561100000000,  0.0010820200000000 ]  - [   0.0005142800000000,  0.0032852300000000,  0.0014208100000000 ]  - [  -0.0000776000000000, -0.0003477700000000, -0.0000540900000000 ]  - [   0.0008680700000000, -0.0000909400000000, -0.0002551700000000 ]  - [  -0.0005979300000000,  0.0022260100000000, -0.0012658300000000 ]  - [  -0.0011470800000000, -0.0031391600000000, -0.0011988800000000 ]  - [   0.0004112800000000,  0.0007218900000000, -0.0003982200000000 ]  - [  -0.0004424900000000, -0.0000271700000000,  0.0013579000000000 ]  - [  -0.0000938600000000,  0.0007371400000000,  0.0005293700000000 ]  - [  -0.0015931500000000, -0.0010774800000000,  0.0004034000000000 ]  - [   0.0040252000000000,  0.0025691400000000, -0.0003904200000000 ]  - [   0.0000169700000000, -0.0006490300000000, -0.0005132200000000 ]  - [   0.0016342200000000,  0.0008005400000000, -0.0005299600000000 ]  - [   0.0005838100000000, -0.0036405700000000, -0.0020235100000000 ]  - [   0.0006627300000000, -0.0000735300000000, -0.0009066600000000 ]  - [  -0.0003555400000000,  0.0000532600000000, -0.0001772300000000 ]  - [   0.0000970300000000,  0.0000402500000000, -0.0000451100000000 ]  - [  -0.0005619000000000, -0.0000782700000000, -0.0004848000000000 ]  - [   0.0194679800000000, -0.0041660500000000,  0.0124561100000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0575373300000000, -0.0116463500000000,  0.0249322900000000 ]  - [  -0.0000597000000000,  0.0006255600000000,  0.0004298200000000 ]  - [  -0.0006329300000000, -0.0005763800000000,  0.0003864500000000 ]  - [   0.0004662600000000,  0.0005753200000000,  0.0003783800000000 ]  - [  -0.0008312100000000,  0.0020978500000000, -0.0005201300000000 ]  - [  -0.0009325300000000, -0.0006345900000000, -0.0004355600000000 ]  - [   0.0001090000000000,  0.0005276000000000, -0.0002904700000000 ]  - [   0.0005172700000000, -0.0033799700000000, -0.0046415100000000 ]  - [  -0.0174778700000000,  0.0031229800000000, -0.0062000000000000 ]  - [  -0.0000264900000000, -0.0005592100000000, -0.0003381300000000 ]  - [   0.0006630200000000,  0.0005951300000000, -0.0004235800000000 ]  - [  -0.0009737100000000, -0.0005921600000000, -0.0008779500000000 ]  - [   0.0007802000000000, -0.0019128900000000,  0.0004273000000000 ]  - [   0.0009660300000000,  0.0006535600000000,  0.0004670200000000 ]  - [  -0.0001784100000000, -0.0005458100000000,  0.0003693200000000 ]  - [  -0.0054819000000000,  0.0082588600000000,  0.0006165300000000 ]  - [  -0.0123167100000000, -0.0043657600000000, -0.0007301000000000 ]  - [   0.0005367500000000,  0.0006913300000000, -0.0008108600000000 ]  - [  -0.0009849500000000,  0.0008642000000000, -0.0007805400000000 ]  - [   0.0009464600000000, -0.0010430900000000, -0.0001469100000000 ]  - [   0.0028481600000000,  0.0033001400000000, -0.0022783800000000 ]  - [  -0.0014427500000000,  0.0009909600000000, -0.0003533200000000 ]  - [   0.0010232400000000, -0.0009093300000000,  0.0007528500000000 ]  - [  -0.0007716800000000, -0.0008998200000000,  0.0007749000000000 ]  - [  -0.0000011200000000,  0.0006854200000000, -0.0001985800000000 ]  - [  -0.0018447700000000,  0.0006816900000000, -0.0010911200000000 ]  - [   0.0005127700000000, -0.0024219400000000, -0.0015200900000000 ]  - [   0.0009294700000000, -0.0005114700000000,  0.0000547400000000 ]  - [  -0.0000054800000000, -0.0007676100000000,  0.0002554800000000 ]  - [   0.0014508000000000, -0.0013744300000000,  0.0012654900000000 ]  - [   0.0003512500000000,  0.0022640500000000,  0.0011512000000000 ]  - [  -0.0012522200000000,  0.0001308200000000,  0.0004185300000000 ]  - [  -0.0003102300000000, -0.0006988000000000, -0.0003094100000000 ]  - [   0.0008175300000000, -0.0000092000000000,  0.0005225800000000 ]  - [   0.0008571900000000,  0.0018052000000000,  0.0006536000000000 ]  - [  -0.0031795100000000, -0.0032492600000000,  0.0014115000000000 ]  - [  -0.0007394300000000, -0.0000792600000000, -0.0005388200000000 ]  - [  -0.0009078200000000, -0.0015264400000000, -0.0005200600000000 ]  - [  -0.0011849300000000,  0.0043752400000000,  0.0009133000000000 ]  - [   0.0000681900000000,  0.0008047000000000, -0.0001470700000000 ]  - [   0.0003630100000000, -0.0000511500000000,  0.0001729700000000 ]  - [  -0.0001024800000000, -0.0000502400000000,  0.0000547400000000 ]  - [   0.0005717600000000,  0.0000776300000000,  0.0004927700000000 ]  - [  -0.0206768400000000,  0.0046769000000000, -0.0137491800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0114682000000000, -0.0168064200000000,  0.0130483500000000 ]  - [  -0.0006816400000000,  0.0007613600000000,  0.0005845100000000 ]  - [  -0.0006053700000000, -0.0005253500000000,  0.0002773500000000 ]  - [   0.0006055000000000,  0.0006914100000000,  0.0004101600000000 ]  - [  -0.0008048400000000,  0.0008900100000000, -0.0004405300000000 ]  - [  -0.0006931600000000, -0.0005656200000000, -0.0004282800000000 ]  - [   0.0005857000000000,  0.0005912200000000, -0.0004389600000000 ]  - [   0.0025293100000000, -0.0005465700000000,  0.0022772300000000 ]  - [  -0.0031474100000000,  0.0017103900000000, -0.0023839400000000 ]  - [   0.0006167800000000, -0.0005371900000000, -0.0004343300000000 ]  - [   0.0008258400000000,  0.0010295500000000, -0.0008696400000000 ]  - [  -0.0008268600000000, -0.0007185500000000, -0.0006984100000000 ]  - [   0.0006381900000000, -0.0008401300000000,  0.0003646200000000 ]  - [   0.0007118800000000,  0.0006804100000000,  0.0004419400000000 ]  - [  -0.0006036100000000, -0.0006531000000000,  0.0004096900000000 ]  - [  -0.0055661500000000,  0.0055427300000000,  0.0001140200000000 ]  - [   0.0012628300000000, -0.0021090800000000,  0.0001139000000000 ]  - [   0.0009205800000000,  0.0009891600000000, -0.0006036500000000 ]  - [  -0.0009279400000000,  0.0010307300000000, -0.0006032100000000 ]  - [   0.0009519800000000, -0.0009807200000000, -0.0005996200000000 ]  - [   0.0001621900000000,  0.0035637200000000, -0.0050253700000000 ]  - [  -0.0007624000000000,  0.0010187500000000,  0.0006583400000000 ]  - [   0.0009149500000000, -0.0008292700000000,  0.0006463600000000 ]  - [  -0.0008393200000000, -0.0007625600000000,  0.0006977200000000 ]  - [  -0.0003828900000000,  0.0004323000000000, -0.0000054400000000 ]  - [  -0.0007188500000000, -0.0013960200000000, -0.0003683900000000 ]  - [   0.0023666300000000,  0.0020664400000000, -0.0007741700000000 ]  - [   0.0006531500000000, -0.0004533400000000, -0.0000836700000000 ]  - [   0.0003754000000000, -0.0005105900000000,  0.0000821200000000 ]  - [   0.0007902200000000, -0.0006873500000000,  0.0006175900000000 ]  - [   0.0005963700000000,  0.0002988200000000,  0.0002914000000000 ]  - [  -0.0002801600000000,  0.0005242700000000,  0.0001662300000000 ]  - [  -0.0006271300000000, -0.0003147700000000,  0.0004731200000000 ]  - [   0.0004557200000000,  0.0002763500000000,  0.0005336800000000 ]  - [  -0.0004368800000000,  0.0006178500000000,  0.0004813600000000 ]  - [  -0.0011895300000000, -0.0004207900000000,  0.0014604700000000 ]  - [  -0.0004042100000000, -0.0003728500000000, -0.0005006400000000 ]  - [  -0.0000745000000000, -0.0011531500000000, -0.0003904900000000 ]  - [  -0.0000687400000000,  0.0013995700000000, -0.0016207300000000 ]  - [   0.0003786000000000,  0.0006230900000000,  0.0000532400000000 ]  - [   0.0001148500000000, -0.0004243800000000, -0.0001641400000000 ]  - [  -0.0000687100000000, -0.0006139800000000,  0.0001853600000000 ]  - [   0.0001259400000000,  0.0002604300000000,  0.0001984700000000 ]  - [  -0.0083405000000000,  0.0072232500000000, -0.0081536200000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0100204100000000,  0.0155392500000000, -0.0120764400000000 ]  - [  -0.0007124000000000,  0.0005161700000000,  0.0003330100000000 ]  - [  -0.0006738700000000, -0.0008707600000000,  0.0006434300000000 ]  - [   0.0006738600000000,  0.0007030200000000,  0.0005102900000000 ]  - [  -0.0004753000000000,  0.0005061800000000, -0.0004793300000000 ]  - [  -0.0007017600000000, -0.0007131400000000, -0.0004915200000000 ]  - [   0.0008093700000000,  0.0006882300000000, -0.0004810000000000 ]  - [  -0.0012554300000000, -0.0008271400000000, -0.0032001600000000 ]  - [   0.0018217300000000, -0.0004382700000000,  0.0015042100000000 ]  - [   0.0007770600000000, -0.0007413700000000, -0.0004858100000000 ]  - [   0.0004482100000000,  0.0003558700000000, -0.0000409500000000 ]  - [  -0.0004492100000000, -0.0006744800000000, -0.0002176200000000 ]  - [   0.0006416500000000, -0.0005543600000000,  0.0005538300000000 ]  - [   0.0006830800000000,  0.0005989700000000,  0.0004783000000000 ]  - [  -0.0007916300000000, -0.0006249800000000,  0.0005107100000000 ]  - [   0.0042163400000000, -0.0041123400000000,  0.0007985600000000 ]  - [  -0.0031289700000000,  0.0002420200000000, -0.0013465200000000 ]  - [   0.0009684500000000,  0.0009006300000000, -0.0006242000000000 ]  - [  -0.0009602800000000,  0.0008583000000000, -0.0006246600000000 ]  - [   0.0009374800000000, -0.0009065000000000, -0.0006255000000000 ]  - [   0.0017107800000000, -0.0016692200000000,  0.0061955800000000 ]  - [  -0.0011232500000000,  0.0008720700000000,  0.0005726300000000 ]  - [   0.0009733700000000, -0.0010595200000000,  0.0005824000000000 ]  - [  -0.0010487900000000, -0.0011252800000000,  0.0005291400000000 ]  - [  -0.0004754500000000,  0.0004272300000000,  0.0000048900000000 ]  - [  -0.0001326500000000,  0.0005406300000000,  0.0003768000000000 ]  - [  -0.0015550800000000, -0.0012348300000000,  0.0008001800000000 ]  - [   0.0002044400000000, -0.0004016300000000,  0.0000831600000000 ]  - [   0.0004832800000000, -0.0003469000000000, -0.0000829400000000 ]  - [   0.0000593500000000,  0.0015447200000000, -0.0006160000000000 ]  - [  -0.0014493900000000, -0.0011574200000000, -0.0002890000000000 ]  - [  -0.0005771700000000,  0.0003347900000000, -0.0001730500000000 ]  - [  -0.0000960300000000, -0.0004122100000000,  0.0005848600000000 ]  - [   0.0002691800000000,  0.0004498600000000,  0.0005204800000000 ]  - [  -0.0002882100000000,  0.0001025800000000,  0.0005705000000000 ]  - [   0.0019222100000000, -0.0002934200000000, -0.0004113400000000 ]  - [  -0.0003212500000000, -0.0003514700000000, -0.0005535000000000 ]  - [   0.0008038400000000,  0.0004342000000000, -0.0006672300000000 ]  - [  -0.0006161700000000, -0.0006327300000000,  0.0005629400000000 ]  - [   0.0003473800000000,  0.0001032800000000, -0.0011052800000000 ]  - [  -0.0001173000000000,  0.0004236100000000,  0.0001663700000000 ]  - [   0.0000685900000000,  0.0006180800000000, -0.0001876700000000 ]  - [  -0.0001278900000000, -0.0002631400000000, -0.0002025800000000 ]  - [   0.0082782700000000, -0.0073485600000000,  0.0081000300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0225916900000000,  0.0117731300000000, -0.0469382600000000 ]  - [  -0.0007290600000000,  0.0005137700000000,  0.0002326700000000 ]  - [  -0.0006894000000000, -0.0007759600000000,  0.0007802200000000 ]  - [   0.0008232800000000,  0.0007703300000000,  0.0007818800000000 ]  - [  -0.0006596100000000,  0.0006408400000000, -0.0005385900000000 ]  - [  -0.0007218000000000, -0.0006713600000000, -0.0004243300000000 ]  - [   0.0008656300000000,  0.0006602100000000, -0.0004334100000000 ]  - [   0.0033489900000000,  0.0034612200000000,  0.0053008600000000 ]  - [   0.0050379700000000, -0.0013044400000000,  0.0042268600000000 ]  - [   0.0008186200000000, -0.0006653000000000, -0.0005279600000000 ]  - [   0.0003972800000000,  0.0002728300000000,  0.0001123900000000 ]  - [  -0.0002210600000000, -0.0007386500000000,  0.0001128900000000 ]  - [   0.0007341000000000, -0.0007339200000000,  0.0002801800000000 ]  - [   0.0006897500000000,  0.0006576900000000,  0.0006326800000000 ]  - [  -0.0007857700000000, -0.0006899500000000,  0.0007842600000000 ]  - [  -0.0009701600000000,  0.0005334500000000, -0.0017058200000000 ]  - [  -0.0001547700000000,  0.0001253800000000, -0.0029323200000000 ]  - [   0.0009551100000000,  0.0008986000000000, -0.0006830800000000 ]  - [  -0.0010746500000000,  0.0010644600000000, -0.0002864100000000 ]  - [   0.0013046300000000, -0.0011296000000000, -0.0002178100000000 ]  - [   0.0011813900000000, -0.0040191300000000,  0.0063901600000000 ]  - [  -0.0000263000000000,  0.0008559100000000,  0.0013505000000000 ]  - [   0.0008525100000000, -0.0009004900000000,  0.0006459100000000 ]  - [  -0.0010871300000000, -0.0011012000000000,  0.0005548200000000 ]  - [  -0.0005230600000000,  0.0003310000000000,  0.0000384400000000 ]  - [   0.0000967000000000, -0.0013802700000000,  0.0011288800000000 ]  - [  -0.0046724800000000,  0.0014087700000000,  0.0060886500000000 ]  - [   0.0002842400000000, -0.0004179400000000, -0.0003688600000000 ]  - [   0.0005777200000000, -0.0001442300000000, -0.0002362400000000 ]  - [  -0.0000162500000000,  0.0004451900000000,  0.0000294100000000 ]  - [  -0.0012455200000000,  0.0008720400000000,  0.0003776500000000 ]  - [  -0.0011073000000000,  0.0006903600000000, -0.0004296500000000 ]  - [   0.0002467100000000, -0.0004157200000000,  0.0012195300000000 ]  - [   0.0001392900000000,  0.0005825000000000,  0.0005461000000000 ]  - [  -0.0008266100000000, -0.0002893200000000,  0.0005522000000000 ]  - [  -0.0016559000000000, -0.0006027000000000,  0.0000296000000000 ]  - [  -0.0002144000000000, -0.0004709200000000, -0.0006556900000000 ]  - [   0.0008070700000000,  0.0001710400000000, -0.0004218100000000 ]  - [  -0.0032153300000000, -0.0018999800000000,  0.0021975900000000 ]  - [   0.0003476600000000, -0.0003752700000000, -0.0014475500000000 ]  - [  -0.0001133600000000,  0.0001395200000000,  0.0004476900000000 ]  - [   0.0003650100000000,  0.0004432900000000, -0.0008327300000000 ]  - [  -0.0009428300000000,  0.0002605900000000, -0.0013896400000000 ]  - [   0.0243708000000000, -0.0088458000000000,  0.0256281700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0248775900000000, -0.0133635500000000,  0.0484403000000000 ]  - [  -0.0006637100000000,  0.0007652600000000,  0.0006862200000000 ]  - [  -0.0005893900000000, -0.0006165700000000,  0.0001409400000000 ]  - [   0.0004572700000000,  0.0006253800000000,  0.0001426700000000 ]  - [  -0.0006210900000000,  0.0007612300000000, -0.0003799800000000 ]  - [  -0.0006748600000000, -0.0006082100000000, -0.0004967600000000 ]  - [   0.0005278100000000,  0.0006186400000000, -0.0004860000000000 ]  - [  -0.0021289300000000, -0.0049133200000000, -0.0063178600000000 ]  - [  -0.0064436800000000,  0.0025841700000000, -0.0051718900000000 ]  - [   0.0005743000000000, -0.0006137000000000, -0.0003899200000000 ]  - [   0.0008781600000000,  0.0011126800000000, -0.0010245700000000 ]  - [  -0.0010499600000000, -0.0006573500000000, -0.0010240800000000 ]  - [   0.0005449700000000, -0.0006670800000000,  0.0006402000000000 ]  - [   0.0007066600000000,  0.0006214000000000,  0.0002890700000000 ]  - [  -0.0006062400000000, -0.0005888900000000,  0.0001390300000000 ]  - [  -0.0002858500000000,  0.0008416300000000,  0.0026242900000000 ]  - [  -0.0017109300000000, -0.0020102400000000,  0.0016998500000000 ]  - [   0.0009311700000000,  0.0009883400000000, -0.0005467800000000 ]  - [  -0.0008136400000000,  0.0008217500000000, -0.0009390000000000 ]  - [   0.0005854000000000, -0.0007595700000000, -0.0010031100000000 ]  - [   0.0006931100000000,  0.0059909900000000, -0.0052348900000000 ]  - [  -0.0018472300000000,  0.0010358600000000, -0.0001117200000000 ]  - [   0.0010357300000000, -0.0009880300000000,  0.0005816000000000 ]  - [  -0.0007994100000000, -0.0007857900000000,  0.0006761800000000 ]  - [  -0.0003347400000000,  0.0005268900000000, -0.0000373000000000 ]  - [  -0.0009583700000000,  0.0005178200000000, -0.0011322300000000 ]  - [   0.0056941400000000, -0.0006033200000000, -0.0061526600000000 ]  - [   0.0005756400000000, -0.0004369800000000,  0.0003672400000000 ]  - [   0.0002804800000000, -0.0007121000000000,  0.0002357000000000 ]  - [   0.0008787400000000,  0.0004155100000000, -0.0000294000000000 ]  - [   0.0003911000000000, -0.0017269400000000, -0.0003752800000000 ]  - [   0.0002295800000000,  0.0001743500000000,  0.0004401300000000 ]  - [  -0.0009679900000000, -0.0003147700000000, -0.0001447800000000 ]  - [   0.0005850600000000,  0.0001446800000000,  0.0005105600000000 ]  - [   0.0001011300000000,  0.0010192500000000,  0.0004995300000000 ]  - [   0.0023867800000000, -0.0001383600000000,  0.0010263900000000 ]  - [  -0.0005108300000000, -0.0002547800000000, -0.0003997200000000 ]  - [  -0.0000824800000000, -0.0008990500000000, -0.0006268300000000 ]  - [   0.0025021100000000,  0.0026653100000000, -0.0032145800000000 ]  - [   0.0003764900000000,  0.0010904100000000,  0.0003931400000000 ]  - [   0.0001130400000000, -0.0001406700000000, -0.0004452400000000 ]  - [  -0.0003647200000000, -0.0004384900000000,  0.0008312900000000 ]  - [   0.0009340100000000, -0.0002593400000000,  0.0013787100000000 ]  - [  -0.0254064400000000,  0.0091755600000000, -0.0260584900000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0120515600000000,  0.0015855100000000,  0.0012412500000000 ]  - [  -0.0002942000000000,  0.0006160200000000,  0.0004484100000000 ]  - [  -0.0006762500000000, -0.0007988500000000,  0.0002745800000000 ]  - [   0.0007259500000000,  0.0006184400000000,  0.0003381600000000 ]  - [  -0.0004589000000000,  0.0006494800000000, -0.0003034600000000 ]  - [  -0.0007749900000000, -0.0006099700000000, -0.0005513400000000 ]  - [   0.0011933500000000,  0.0004622700000000, -0.0013647400000000 ]  - [   0.0032579500000000, -0.0030645600000000, -0.0054847700000000 ]  - [  -0.0025680400000000, -0.0001477600000000, -0.0002026100000000 ]  - [   0.0005269600000000, -0.0005351000000000, -0.0003171100000000 ]  - [   0.0007145400000000,  0.0007440200000000, -0.0005518000000000 ]  - [  -0.0005246700000000, -0.0006631200000000, -0.0005034100000000 ]  - [   0.0006838400000000, -0.0004445600000000,  0.0005039200000000 ]  - [   0.0007384600000000,  0.0006233300000000,  0.0003285300000000 ]  - [  -0.0007040400000000, -0.0006470600000000,  0.0001007100000000 ]  - [  -0.0018230200000000,  0.0040668100000000,  0.0015279700000000 ]  - [  -0.0473499300000000, -0.0352763800000000,  0.0264498100000000 ]  - [   0.0030232100000000,  0.0031605200000000, -0.0001941700000000 ]  - [  -0.0009145400000000,  0.0008609600000000, -0.0008187300000000 ]  - [   0.0009106400000000, -0.0008612200000000, -0.0008035600000000 ]  - [   0.0080950600000000,  0.0061951300000000, -0.0043520300000000 ]  - [  -0.0007208000000000,  0.0008970500000000,  0.0005480500000000 ]  - [   0.0009313000000000, -0.0008975300000000,  0.0006019300000000 ]  - [  -0.0004667300000000, -0.0005162700000000,  0.0008356400000000 ]  - [  -0.0003804900000000,  0.0004826000000000,  0.0000218700000000 ]  - [  -0.0007814600000000,  0.0007373200000000, -0.0007133400000000 ]  - [  -0.0020356600000000,  0.0014976500000000,  0.0019744800000000 ]  - [   0.0008562200000000, -0.0001849000000000,  0.0001649700000000 ]  - [   0.0003036200000000, -0.0004988900000000,  0.0001077400000000 ]  - [   0.0009772500000000, -0.0007680600000000,  0.0009794000000000 ]  - [   0.0005660300000000, -0.0004664600000000,  0.0001604400000000 ]  - [  -0.0003217500000000,  0.0005745500000000, -0.0001295800000000 ]  - [   0.0006169700000000,  0.0004063700000000,  0.0037041800000000 ]  - [   0.0003197600000000,  0.0002152600000000,  0.0007776200000000 ]  - [   0.0008613500000000,  0.0004839900000000, -0.0006375100000000 ]  - [   0.0009852000000000,  0.0000365500000000, -0.0005393800000000 ]  - [  -0.0004589200000000, -0.0002811800000000, -0.0004884200000000 ]  - [  -0.0003614600000000, -0.0010919500000000, -0.0009502600000000 ]  - [  -0.0020698700000000, -0.0011641600000000, -0.0008740200000000 ]  - [   0.0001181100000000,  0.0002544400000000,  0.0002535700000000 ]  - [  -0.0012634500000000, -0.0011260900000000, -0.0009800000000000 ]  - [  -0.0000220300000000, -0.0001707000000000,  0.0004716600000000 ]  - [  -0.0008535600000000, -0.0003101400000000,  0.0007245400000000 ]  - [   0.0273674100000000,  0.0253566200000000, -0.0217791800000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0104819200000000, -0.0028071100000000, -0.0003146500000000 ]  - [  -0.0011079800000000,  0.0006638700000000,  0.0004727100000000 ]  - [  -0.0006014700000000, -0.0005975600000000,  0.0006446300000000 ]  - [   0.0005539500000000,  0.0007773900000000,  0.0005813300000000 ]  - [  -0.0008209300000000,  0.0007375700000000, -0.0006181500000000 ]  - [  -0.0006142900000000, -0.0006681700000000, -0.0003675000000000 ]  - [   0.0002004400000000,  0.0008229300000000,  0.0004565100000000 ]  - [  -0.0019745400000000,  0.0016635400000000,  0.0045249400000000 ]  - [   0.0012006600000000,  0.0014003700000000, -0.0006901600000000 ]  - [   0.0008754500000000, -0.0007446600000000, -0.0006046600000000 ]  - [   0.0005682300000000,  0.0006539000000000, -0.0003718500000000 ]  - [  -0.0007541400000000, -0.0007322800000000, -0.0004150200000000 ]  - [   0.0005957000000000, -0.0009478600000000,  0.0004144300000000 ]  - [   0.0006524900000000,  0.0006553700000000,  0.0005895300000000 ]  - [  -0.0006955800000000, -0.0006327600000000,  0.0008200800000000 ]  - [   0.0005285300000000, -0.0027040000000000, -0.0006071500000000 ]  - [   0.0447446700000000,  0.0323740900000000, -0.0267994900000000 ]  - [  -0.0011674900000000, -0.0013163800000000, -0.0010329600000000 ]  - [  -0.0009701900000000,  0.0010259600000000, -0.0004102000000000 ]  - [   0.0009782600000000, -0.0010266700000000, -0.0004267400000000 ]  - [  -0.0061714500000000, -0.0043183000000000,  0.0055864200000000 ]  - [  -0.0011672500000000,  0.0009897800000000,  0.0006881600000000 ]  - [   0.0009561000000000, -0.0009903600000000,  0.0006250500000000 ]  - [  -0.0014242000000000, -0.0013732900000000,  0.0003906600000000 ]  - [  -0.0004820900000000,  0.0003730000000000, -0.0000200700000000 ]  - [  -0.0000569700000000, -0.0016042500000000,  0.0007136700000000 ]  - [   0.0028955300000000, -0.0006268900000000, -0.0019762700000000 ]  - [  -0.0000048200000000, -0.0006649600000000, -0.0001690900000000 ]  - [   0.0005608500000000, -0.0003569400000000, -0.0001102600000000 ]  - [  -0.0001290100000000,  0.0016299700000000, -0.0009829600000000 ]  - [  -0.0014417600000000, -0.0003840400000000, -0.0001726100000000 ]  - [  -0.0005179400000000,  0.0002890300000000,  0.0001335500000000 ]  - [  -0.0013745900000000, -0.0011377500000000, -0.0026473700000000 ]  - [   0.0004033800000000,  0.0005143500000000,  0.0002733500000000 ]  - [  -0.0016039100000000,  0.0002371200000000,  0.0016835300000000 ]  - [  -0.0002591900000000, -0.0007576700000000,  0.0016086100000000 ]  - [  -0.0002619500000000, -0.0004483400000000, -0.0005647600000000 ]  - [   0.0010970300000000,  0.0003711000000000, -0.0001029500000000 ]  - [   0.0013293900000000,  0.0018802900000000, -0.0001718800000000 ]  - [   0.0006101500000000,  0.0004637900000000, -0.0013080600000000 ]  - [   0.0012730100000000,  0.0011337300000000,  0.0009854400000000 ]  - [   0.0000176400000000,  0.0001644500000000, -0.0004649500000000 ]  - [   0.0008573800000000,  0.0003138200000000, -0.0007314800000000 ]  - [  -0.0268151600000000, -0.0242951900000000,  0.0208886200000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0007723700000000,  0.0000831100000000, -0.0018579300000000 ]  - [  -0.0008958800000000,  0.0006294100000000,  0.0003918000000000 ]  - [  -0.0006261400000000, -0.0002203400000000,  0.0008534500000000 ]  - [   0.0006284000000000,  0.0008640000000000,  0.0007879200000000 ]  - [  -0.0007235800000000,  0.0008597900000000, -0.0005196200000000 ]  - [  -0.0008380500000000, -0.0006711000000000, -0.0004282600000000 ]  - [  -0.0002858400000000,  0.0006843500000000,  0.0002754900000000 ]  - [  -0.0049302200000000,  0.0022081400000000,  0.0053228900000000 ]  - [   0.0022081400000000, -0.0049302200000000,  0.0053228900000000 ]  - [   0.0008597900000000, -0.0007235800000000, -0.0005196200000000 ]  - [   0.0006843500000000, -0.0002858400000000,  0.0002754900000000 ]  - [  -0.0006711000000000, -0.0008380500000000, -0.0004282600000000 ]  - [   0.0006294100000000, -0.0008958800000000,  0.0003918000000000 ]  - [   0.0008640000000000,  0.0006284000000000,  0.0007879200000000 ]  - [  -0.0002203400000000, -0.0006261400000000,  0.0008534500000000 ]  - [   0.0000831100000000,  0.0007723700000000, -0.0018579300000000 ]  - [   0.0253092500000000,  0.0253092500000000, -0.0371882700000000 ]  - [   0.0005281200000000,  0.0005281200000000, -0.0011500400000000 ]  - [  -0.0011496500000000,  0.0011330100000000, -0.0002119000000000 ]  - [   0.0011330100000000, -0.0011496500000000, -0.0002119000000000 ]  - [  -0.0040488300000000, -0.0040488300000000,  0.0079631500000000 ]  - [  -0.0008729800000000,  0.0009323400000000,  0.0002899900000000 ]  - [   0.0009323400000000, -0.0008729800000000,  0.0002899900000000 ]  - [  -0.0011666400000000, -0.0011666400000000,  0.0005662900000000 ]  - [  -0.0003094300000000,  0.0003664800000000, -0.0000801500000000 ]  - [  -0.0002049600000000, -0.0016752400000000,  0.0012054700000000 ]  - [   0.0007812700000000,  0.0001184200000000,  0.0000304000000000 ]  - [   0.0000124800000000, -0.0012976500000000,  0.0001285600000000 ]  - [   0.0003664800000000, -0.0003094300000000, -0.0000801500000000 ]  - [   0.0001184200000000,  0.0007812700000000,  0.0000304000000000 ]  - [  -0.0016752400000000, -0.0002049600000000,  0.0012054700000000 ]  - [  -0.0012976500000000,  0.0000124800000000,  0.0001285600000000 ]  - [  -0.0006296300000000, -0.0006296300000000,  0.0005899100000000 ]  - [   0.0004411100000000,  0.0004411100000000,  0.0004779200000000 ]  - [  -0.0012033800000000, -0.0001682600000000,  0.0009309200000000 ]  - [  -0.0001682600000000, -0.0012033800000000,  0.0009309200000000 ]  - [  -0.0003740900000000, -0.0003740900000000, -0.0006637100000000 ]  - [   0.0007157900000000,  0.0002173700000000, -0.0003788300000000 ]  - [   0.0002173700000000,  0.0007157900000000, -0.0003788300000000 ]  - [   0.0015513800000000,  0.0015513800000000, -0.0011583900000000 ]  - [   0.0005321400000000,  0.0005321400000000,  0.0006173600000000 ]  - [   0.0002639600000000,  0.0004669900000000, -0.0009126600000000 ]  - [   0.0004669900000000,  0.0002639600000000, -0.0009126600000000 ]  - [  -0.0178077800000000, -0.0178077800000000,  0.0182906700000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0005607600000000, -0.0013767500000000,  0.0027738600000000 ]  - [  -0.0005003500000000,  0.0006501100000000,  0.0005279300000000 ]  - [  -0.0006520000000000, -0.0011607100000000,  0.0000691800000000 ]  - [   0.0006498900000000,  0.0005342900000000,  0.0001363000000000 ]  - [  -0.0005548600000000,  0.0005367200000000, -0.0003970600000000 ]  - [  -0.0005607600000000, -0.0006072100000000, -0.0004926900000000 ]  - [   0.0016572000000000,  0.0005991500000000, -0.0011868200000000 ]  - [   0.0062913900000000, -0.0036129600000000, -0.0063007900000000 ]  - [  -0.0036129600000000,  0.0062913900000000, -0.0063007900000000 ]  - [   0.0005367200000000, -0.0005548600000000, -0.0003970600000000 ]  - [   0.0005991500000000,  0.0016572000000000, -0.0011868200000000 ]  - [  -0.0006072100000000, -0.0005607600000000, -0.0004926900000000 ]  - [   0.0006501100000000, -0.0005003500000000,  0.0005279300000000 ]  - [   0.0005342900000000,  0.0006498900000000,  0.0001363000000000 ]  - [  -0.0011607100000000, -0.0006520000000000,  0.0000691800000000 ]  - [  -0.0013767500000000,  0.0005607600000000,  0.0027738600000000 ]  - [  -0.0279332900000000, -0.0279332900000000,  0.0362003600000000 ]  - [   0.0013677200000000,  0.0013677200000000, -0.0000795500000000 ]  - [  -0.0007412000000000,  0.0007570800000000, -0.0010088000000000 ]  - [   0.0007570800000000, -0.0007412000000000, -0.0010088000000000 ]  - [   0.0058896200000000,  0.0058896200000000, -0.0067219100000000 ]  - [  -0.0010125500000000,  0.0009555000000000,  0.0009302200000000 ]  - [   0.0009555000000000, -0.0010125500000000,  0.0009302200000000 ]  - [  -0.0007213000000000, -0.0007213000000000,  0.0006661200000000 ]  - [  -0.0005461700000000,  0.0004884800000000,  0.0000816600000000 ]  - [  -0.0006396900000000,  0.0008151200000000, -0.0011981200000000 ]  - [   0.0000806600000000,  0.0007312700000000, -0.0000335000000000 ]  - [   0.0008349800000000,  0.0004435100000000, -0.0001098400000000 ]  - [   0.0004884800000000, -0.0005461700000000,  0.0000816600000000 ]  - [   0.0007312700000000,  0.0000806600000000, -0.0000335000000000 ]  - [   0.0008151200000000, -0.0006396900000000, -0.0011981200000000 ]  - [   0.0004435100000000,  0.0008349800000000, -0.0001098400000000 ]  - [  -0.0001079400000000, -0.0001079400000000,  0.0005186800000000 ]  - [   0.0002849200000000,  0.0002849200000000,  0.0005807400000000 ]  - [   0.0004719900000000,  0.0008732100000000,  0.0001007300000000 ]  - [   0.0008732100000000,  0.0004719900000000,  0.0001007300000000 ]  - [  -0.0003523100000000, -0.0003523100000000, -0.0003921100000000 ]  - [   0.0000190900000000, -0.0009365100000000, -0.0006689300000000 ]  - [  -0.0009365100000000,  0.0000190900000000, -0.0006689300000000 ]  - [  -0.0007946300000000, -0.0007946300000000,  0.0001052000000000 ]  - [  -0.0005356900000000, -0.0005356900000000, -0.0006195600000000 ]  - [  -0.0002609100000000, -0.0004678800000000,  0.0009107200000000 ]  - [  -0.0004678800000000, -0.0002609100000000,  0.0009107200000000 ]  - [   0.0185830200000000,  0.0185830200000000, -0.0185261100000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002669600000000, -0.0005933700000000,  0.0003660900000000 ]  - [  -0.0012025800000000,  0.0008637400000000,  0.0006063300000000 ]  - [  -0.0016154400000000,  0.0004214000000000, -0.0004970200000000 ]  - [   0.0022738200000000, -0.0022227200000000, -0.0005368300000000 ]  - [  -0.0006655100000000,  0.0007792400000000, -0.0004667800000000 ]  - [  -0.0006637000000000, -0.0026050800000000, -0.0057026400000000 ]  - [   0.0021137900000000,  0.0009282000000000, -0.0009896600000000 ]  - [   0.0006419800000000, -0.0009543700000000, -0.0005562800000000 ]  - [  -0.0002602200000000,  0.0005854500000000, -0.0003100300000000 ]  - [   0.0015281700000000, -0.0004922000000000,  0.0002088300000000 ]  - [  -0.0004855200000000, -0.0011118900000000, -0.0004496100000000 ]  - [   0.0000831900000000,  0.0019644400000000, -0.0017563700000000 ]  - [   0.0007343200000000, -0.0004026000000000,  0.0002061900000000 ]  - [  -0.0001279700000000, -0.0003636100000000, -0.0003764700000000 ]  - [  -0.0017265700000000, -0.0010057000000000,  0.0009032800000000 ]  - [  -0.0007218800000000,  0.0010368200000000,  0.0007458000000000 ]  - [  -0.0008930400000000, -0.0010143400000000, -0.0004949700000000 ]  - [   0.0013750200000000,  0.0010865500000000, -0.0002144900000000 ]  - [   0.0000606300000000, -0.0002312700000000, -0.0018689800000000 ]  - [   0.0014947500000000, -0.0020052100000000, -0.0003107100000000 ]  - [   0.0008153800000000,  0.0009985300000000,  0.0005538400000000 ]  - [  -0.0013095100000000,  0.0009909400000000,  0.0003912500000000 ]  - [  -0.0015290300000000,  0.0002540400000000,  0.0009607400000000 ]  - [  -0.0008413900000000, -0.0007035900000000,  0.0014775400000000 ]  - [  -0.1235373000000000,  0.0259327900000000,  0.0336159100000000 ]  - [   0.0001086200000000, -0.0004443200000000,  0.0001500500000000 ]  - [   0.0007906600000000,  0.0004415100000000, -0.0000466800000000 ]  - [  -0.0003400300000000, -0.0023754300000000, -0.0005568200000000 ]  - [   0.0171150200000000, -0.0197572500000000, -0.0022951400000000 ]  - [  -0.0006226300000000,  0.0003157800000000, -0.0006723300000000 ]  - [  -0.0009330500000000, -0.0003164000000000, -0.0000471900000000 ]  - [   0.0003587300000000,  0.0017787200000000,  0.0007934200000000 ]  - [  -0.0015427800000000,  0.0004638500000000,  0.0003478500000000 ]  - [   0.0035337600000000,  0.0028892600000000,  0.0030934800000000 ]  - [  -0.0008503300000000,  0.0003402700000000,  0.0007428300000000 ]  - [   0.0001631000000000, -0.0004399300000000,  0.0002875400000000 ]  - [   0.0940093300000000, -0.0091304000000000, -0.0321995500000000 ]  - [   0.0012817600000000, -0.0002077700000000, -0.0007051600000000 ]  - [  -0.0000739900000000,  0.0005990000000000, -0.0002308200000000 ]  - [   0.0017546600000000, -0.0005945400000000, -0.0005324800000000 ]  - [  -0.0005934900000000, -0.0015376800000000, -0.0009909600000000 ]  - [   0.0097553200000000,  0.0030198600000000,  0.0064236800000000 ]  - [   0.0001976600000000,  0.0029588700000000,  0.0011582900000000 ]  - [   0.0000793000000000, -0.0001395900000000, -0.0002249300000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0011264600000000, -0.0006851000000000,  0.0005555400000000 ]  - [  -0.0001965300000000,  0.0004144700000000,  0.0003158800000000 ]  - [   0.0003220300000000, -0.0018154700000000,  0.0014015300000000 ]  - [  -0.0010251300000000,  0.0034845900000000,  0.0014766500000000 ]  - [  -0.0006135100000000,  0.0006147900000000, -0.0004477800000000 ]  - [  -0.0006605100000000,  0.0013169600000000,  0.0046646900000000 ]  - [  -0.0007186200000000,  0.0003425400000000,  0.0000642500000000 ]  - [   0.0006360900000000, -0.0004397500000000, -0.0003609700000000 ]  - [  -0.0011317400000000,  0.0006932900000000, -0.0006080700000000 ]  - [  -0.0001327300000000, -0.0007890300000000, -0.0011294000000000 ]  - [   0.0017454800000000,  0.0024882200000000, -0.0004797200000000 ]  - [  -0.0013734100000000, -0.0034409200000000,  0.0008415800000000 ]  - [   0.0005461500000000, -0.0009933100000000,  0.0007226300000000 ]  - [   0.0013698500000000,  0.0016811300000000,  0.0012606800000000 ]  - [   0.0003209500000000, -0.0002751000000000,  0.0000095000000000 ]  - [  -0.0005577000000000,  0.0003608900000000,  0.0001783300000000 ]  - [  -0.0009935100000000, -0.0008728700000000, -0.0007321300000000 ]  - [   0.0005156700000000,  0.0008006300000000, -0.0010365600000000 ]  - [  -0.0019451700000000,  0.0021093500000000,  0.0006209400000000 ]  - [   0.0003904400000000,  0.0001181600000000, -0.0009232700000000 ]  - [   0.0010712800000000,  0.0008897100000000,  0.0006750200000000 ]  - [  -0.0005866500000000,  0.0009089800000000,  0.0008259900000000 ]  - [   0.0034006500000000, -0.0021433900000000,  0.0002602900000000 ]  - [  -0.0010403300000000, -0.0011830500000000, -0.0002638600000000 ]  - [   0.1266685500000000, -0.0253203200000000, -0.0356819300000000 ]  - [  -0.0009642600000000, -0.0004143300000000, -0.0001535500000000 ]  - [   0.0000717800000000,  0.0004113500000000,  0.0000408500000000 ]  - [   0.0011878500000000,  0.0015010400000000,  0.0005540300000000 ]  - [  -0.0164747400000000,  0.0190491200000000,  0.0024183100000000 ]  - [   0.0014700200000000,  0.0005421900000000,  0.0006640400000000 ]  - [   0.0000708900000000, -0.0005428000000000,  0.0000447400000000 ]  - [  -0.0012102900000000, -0.0009156300000000, -0.0007830500000000 ]  - [   0.0008079200000000, -0.0011848500000000,  0.0007038500000000 ]  - [  -0.0026792300000000, -0.0024501600000000, -0.0020102700000000 ]  - [   0.0001224500000000,  0.0003876700000000,  0.0003102500000000 ]  - [   0.0005594400000000, -0.0002879300000000,  0.0007661600000000 ]  - [  -0.0987331600000000,  0.0088331800000000,  0.0330250600000000 ]  - [  -0.0005447200000000, -0.0005145100000000, -0.0003497500000000 ]  - [  -0.0006466700000000,  0.0001301800000000, -0.0008267200000000 ]  - [  -0.0010167100000000,  0.0013135600000000, -0.0005205900000000 ]  - [   0.0006060000000000,  0.0015582300000000,  0.0009927900000000 ]  - [  -0.0095415700000000, -0.0029239300000000, -0.0062477300000000 ]  - [  -0.0001434300000000, -0.0028914900000000, -0.0010554900000000 ]  - [  -0.0000796300000000,  0.0001337100000000,  0.0002172700000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0008966600000000, -0.0006447100000000,  0.0004969800000000 ]  - [  -0.0006410800000000,  0.0007212100000000,  0.0000901900000000 ]  - [  -0.0010148600000000, -0.0017840500000000,  0.0015905900000000 ]  - [   0.0014199400000000,  0.0021186700000000,  0.0066300900000000 ]  - [  -0.0005551100000000,  0.0007492900000000, -0.0008265300000000 ]  - [   0.0008236200000000,  0.0001546100000000,  0.0056093600000000 ]  - [  -0.0003883800000000,  0.0002695200000000,  0.0006691900000000 ]  - [   0.0006336000000000, -0.0004985600000000, -0.0004221500000000 ]  - [  -0.0009531000000000,  0.0007225500000000, -0.0006961100000000 ]  - [   0.0011111000000000, -0.0008119900000000, -0.0008935000000000 ]  - [   0.0012532400000000,  0.0019624000000000, -0.0004305500000000 ]  - [  -0.0009312300000000, -0.0018600900000000, -0.0000817600000000 ]  - [   0.0004734500000000, -0.0002932700000000,  0.0000221400000000 ]  - [  -0.0004904400000000,  0.0003510000000000,  0.0008340500000000 ]  - [   0.0005680600000000, -0.0000202400000000,  0.0004888800000000 ]  - [  -0.0005572000000000,  0.0004434300000000,  0.0002238600000000 ]  - [  -0.0009221900000000, -0.0008343600000000, -0.0006962200000000 ]  - [   0.0007753800000000,  0.0010708600000000, -0.0004989300000000 ]  - [  -0.0007823700000000,  0.0016548800000000,  0.0005873600000000 ]  - [  -0.0000385300000000,  0.0010362300000000, -0.0005816700000000 ]  - [   0.0010523900000000,  0.0009652000000000,  0.0005332400000000 ]  - [  -0.0002293300000000,  0.0011162900000000,  0.0018141000000000 ]  - [   0.0029138900000000, -0.0019236200000000,  0.0006449900000000 ]  - [  -0.0008083000000000, -0.0011091700000000,  0.0007372400000000 ]  - [   0.0343740600000000,  0.0348933500000000, -0.0455278600000000 ]  - [  -0.0005818100000000, -0.0004722500000000,  0.0000004300000000 ]  - [   0.0003845200000000,  0.0002780700000000,  0.0000021200000000 ]  - [   0.0009840400000000,  0.0001273100000000, -0.0002512900000000 ]  - [  -0.0019193200000000, -0.0027946800000000, -0.0048468400000000 ]  - [   0.0011029000000000,  0.0003811400000000,  0.0005994700000000 ]  - [  -0.0004729200000000,  0.0002339400000000,  0.0005948600000000 ]  - [  -0.0012169600000000, -0.0003601400000000, -0.0006861400000000 ]  - [   0.0000789600000000, -0.0010185000000000,  0.0006078200000000 ]  - [   0.0072416000000000, -0.0362294000000000,  0.0212032500000000 ]  - [   0.0000488700000000,  0.0005357200000000,  0.0003185300000000 ]  - [   0.0003348500000000, -0.0007961600000000,  0.0006618100000000 ]  - [  -0.0374323200000000,  0.0064537800000000,  0.0199802700000000 ]  - [  -0.0000722500000000, -0.0003920400000000, -0.0003899800000000 ]  - [  -0.0001974300000000,  0.0007678300000000, -0.0007354000000000 ]  - [  -0.0002910300000000,  0.0008047600000000, -0.0004467500000000 ]  - [  -0.0006415800000000, -0.0006098100000000,  0.0022104900000000 ]  - [  -0.0050450800000000, -0.0002716300000000, -0.0047631700000000 ]  - [  -0.0002752800000000, -0.0050729300000000, -0.0047729300000000 ]  - [  -0.0000130300000000, -0.0000144300000000,  0.0003964400000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006344900000000, -0.0009071000000000,  0.0010746900000000 ]  - [  -0.0011518200000000,  0.0007329200000000,  0.0006824500000000 ]  - [  -0.0007031600000000, -0.0036420100000000,  0.0002293200000000 ]  - [   0.0009001300000000,  0.0021378200000000,  0.0011082900000000 ]  - [  -0.0006496900000000,  0.0004125700000000, -0.0003513200000000 ]  - [   0.0005725100000000, -0.0001992400000000, -0.0000134400000000 ]  - [   0.0015448000000000,  0.0003845800000000,  0.0023685200000000 ]  - [   0.0009003200000000, -0.0011383500000000, -0.0011951200000000 ]  - [  -0.0004047000000000,  0.0006565600000000, -0.0004751800000000 ]  - [   0.0010743100000000, -0.0006812400000000, -0.0006078300000000 ]  - [   0.0016913100000000,  0.0046556700000000, -0.0027511700000000 ]  - [  -0.0014277300000000, -0.0018573100000000, -0.0009963200000000 ]  - [   0.0005525800000000, -0.0003254000000000,  0.0002427300000000 ]  - [  -0.0005287100000000,  0.0007124700000000, -0.0000030900000000 ]  - [   0.0029826200000000,  0.0009370600000000,  0.0024928300000000 ]  - [  -0.0005925500000000,  0.0010344400000000,  0.0004102000000000 ]  - [   0.0000553900000000, -0.0001668400000000, -0.0008836200000000 ]  - [   0.0009012600000000,  0.0007942900000000, -0.0006916600000000 ]  - [   0.0002908900000000,  0.0005468700000000, -0.0014535100000000 ]  - [   0.0015641100000000, -0.0010709300000000, -0.0000930100000000 ]  - [   0.0006976900000000,  0.0008386500000000,  0.0018009000000000 ]  - [  -0.0026279300000000,  0.0016735000000000,  0.0000335900000000 ]  - [   0.0002134400000000,  0.0005778700000000,  0.0009647000000000 ]  - [  -0.0010403900000000, -0.0008604000000000,  0.0006250700000000 ]  - [  -0.0016020700000000, -0.0005244800000000,  0.0004427100000000 ]  - [  -0.0001449600000000, -0.0004038100000000, -0.0001700800000000 ]  - [   0.0013424000000000,  0.0005065700000000, -0.0004357800000000 ]  - [   0.0035469300000000, -0.0095462100000000, -0.0069521300000000 ]  - [   0.0018122700000000,  0.0003950200000000, -0.0006526200000000 ]  - [   0.0002332600000000,  0.0002728800000000,  0.0000309900000000 ]  - [  -0.0009115500000000, -0.0006642800000000,  0.0004046300000000 ]  - [   0.0979251000000000,  0.0029641400000000,  0.0378167600000000 ]  - [  -0.1230841600000000, -0.0016837700000000, -0.0443231200000000 ]  - [  -0.0003090500000000,  0.0015233900000000,  0.0005539900000000 ]  - [  -0.0005866000000000,  0.0004062600000000,  0.0008596800000000 ]  - [   0.0000288500000000, -0.0004020900000000,  0.0002042800000000 ]  - [   0.0006841000000000, -0.0014090100000000, -0.0004506600000000 ]  - [   0.0004259700000000, -0.0006044500000000, -0.0008187200000000 ]  - [   0.0001733000000000,  0.0006004900000000, -0.0003629800000000 ]  - [   0.0129559100000000,  0.0059688500000000,  0.0104992100000000 ]  - [   0.0002499800000000, -0.0000625500000000,  0.0000885100000000 ]  - [  -0.0016733000000000, -0.0032070300000000,  0.0023773700000000 ]  - [   0.0046689900000000,  0.0000707900000000, -0.0012420900000000 ]  - [  -0.0011845600000000,  0.0005528300000000, -0.0003879400000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007671800000000, -0.0003762600000000, -0.0001401600000000 ]  - [  -0.0002407800000000,  0.0005456900000000,  0.0002371100000000 ]  - [  -0.0005753400000000,  0.0021776100000000,  0.0006923700000000 ]  - [   0.0003861300000000, -0.0007441400000000, -0.0001998500000000 ]  - [  -0.0006289200000000,  0.0009817800000000, -0.0005678700000000 ]  - [  -0.0019665500000000, -0.0010771500000000, -0.0009027200000000 ]  - [  -0.0002203500000000,  0.0009326900000000, -0.0033495800000000 ]  - [   0.0003813800000000, -0.0002608700000000,  0.0002702400000000 ]  - [  -0.0009970300000000,  0.0006254500000000, -0.0004460800000000 ]  - [   0.0003188100000000, -0.0005979300000000, -0.0003123000000000 ]  - [  -0.0003419000000000, -0.0033599000000000,  0.0018148500000000 ]  - [   0.0001595300000000,  0.0004691800000000,  0.0000738700000000 ]  - [   0.0007274200000000, -0.0010714500000000,  0.0006804300000000 ]  - [   0.0019199900000000,  0.0005635800000000,  0.0009243000000000 ]  - [  -0.0042224100000000, -0.0021747000000000, -0.0015502500000000 ]  - [  -0.0006886800000000,  0.0003633800000000,  0.0005107600000000 ]  - [  -0.0019344700000000, -0.0017115900000000, -0.0003628700000000 ]  - [   0.0009855800000000,  0.0010927000000000, -0.0005357200000000 ]  - [  -0.0021727200000000,  0.0013400400000000,  0.0002206100000000 ]  - [   0.0003226800000000, -0.0008251700000000, -0.0011342700000000 ]  - [   0.0011887600000000,  0.0010484200000000, -0.0005453900000000 ]  - [   0.0007698200000000,  0.0002113400000000,  0.0011869600000000 ]  - [   0.0016704500000000, -0.0024656900000000,  0.0002679000000000 ]  - [  -0.0008456500000000, -0.0010265500000000,  0.0006034900000000 ]  - [   0.0007488700000000,  0.0013835200000000, -0.0004409100000000 ]  - [  -0.0007172200000000, -0.0004511600000000,  0.0001680200000000 ]  - [  -0.0004842400000000,  0.0003540300000000,  0.0004317400000000 ]  - [  -0.0026666700000000,  0.0084114600000000,  0.0067427500000000 ]  - [  -0.0009595000000000, -0.0012534300000000,  0.0006565700000000 ]  - [   0.0006291000000000,  0.0005794500000000, -0.0000268100000000 ]  - [   0.0000616300000000, -0.0001949300000000, -0.0004120400000000 ]  - [  -0.0948175100000000, -0.0023695200000000, -0.0358746300000000 ]  - [   0.1182072500000000,  0.0015603900000000,  0.0434837400000000 ]  - [   0.0010351800000000, -0.0008008000000000,  0.0004963800000000 ]  - [  -0.0001353000000000,  0.0003264800000000,  0.0001979000000000 ]  - [   0.0006999300000000, -0.0003224900000000,  0.0008528300000000 ]  - [  -0.0014145100000000,  0.0006861100000000, -0.0006033700000000 ]  - [   0.0002958500000000, -0.0001261300000000, -0.0002355200000000 ]  - [  -0.0009063400000000,  0.0001222700000000, -0.0006942000000000 ]  - [  -0.0121023600000000, -0.0052328100000000, -0.0114006500000000 ]  - [  -0.0002533200000000,  0.0000665700000000, -0.0000909300000000 ]  - [   0.0016918900000000,  0.0032526800000000, -0.0024236400000000 ]  - [  -0.0048394500000000, -0.0000980500000000,  0.0013513100000000 ]  - [   0.0011637900000000, -0.0005541000000000,  0.0003856300000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0015239000000000, -0.0006950800000000,  0.0011377600000000 ]  - [  -0.0007011300000000,  0.0006329400000000,  0.0004763900000000 ]  - [   0.0002991700000000,  0.0002243900000000, -0.0000314700000000 ]  - [   0.0006842100000000,  0.0005724900000000,  0.0004875000000000 ]  - [  -0.0006652600000000,  0.0006858600000000, -0.0005868600000000 ]  - [  -0.0007042200000000, -0.0007782400000000, -0.0003576900000000 ]  - [   0.0021349200000000, -0.0004446800000000,  0.0022434600000000 ]  - [   0.0012130600000000, -0.0010723700000000, -0.0013739000000000 ]  - [  -0.0010723700000000,  0.0012130600000000, -0.0013739000000000 ]  - [   0.0006858600000000, -0.0006652600000000, -0.0005868600000000 ]  - [  -0.0004446800000000,  0.0021349200000000,  0.0022434600000000 ]  - [  -0.0007782400000000, -0.0007042200000000, -0.0003576900000000 ]  - [   0.0006329400000000, -0.0007011300000000,  0.0004763900000000 ]  - [   0.0005724900000000,  0.0006842100000000,  0.0004875000000000 ]  - [   0.0002243900000000,  0.0002991700000000, -0.0000314700000000 ]  - [  -0.0006950800000000,  0.0015239000000000,  0.0011377600000000 ]  - [   0.0021980300000000,  0.0021980300000000, -0.0006089900000000 ]  - [   0.0006931800000000,  0.0006931800000000, -0.0006653000000000 ]  - [  -0.0021085000000000,  0.0020260600000000, -0.0001912400000000 ]  - [   0.0020260600000000, -0.0021085000000000, -0.0001912400000000 ]  - [   0.0017192400000000,  0.0017192400000000, -0.0000161900000000 ]  - [  -0.0005953900000000,  0.0005207000000000,  0.0007563700000000 ]  - [   0.0005207000000000, -0.0005953900000000,  0.0007563700000000 ]  - [  -0.0009814500000000, -0.0009814500000000,  0.0004802600000000 ]  - [  -0.0006064200000000,  0.0004223800000000,  0.0000808700000000 ]  - [  -0.0007233300000000, -0.0002175000000000, -0.0002038600000000 ]  - [   0.0002544000000000,  0.0006666800000000,  0.0001348600000000 ]  - [  -0.0021319700000000,  0.0323628700000000,  0.0205507600000000 ]  - [   0.0004223800000000, -0.0006064200000000,  0.0000808700000000 ]  - [   0.0006666800000000,  0.0002544000000000,  0.0001348600000000 ]  - [  -0.0002175000000000, -0.0007233300000000, -0.0002038600000000 ]  - [   0.0323628700000000, -0.0021319700000000,  0.0205507600000000 ]  - [  -0.0445057500000000, -0.0445057500000000, -0.0529013600000000 ]  - [   0.0003353500000000,  0.0003353500000000,  0.0001052800000000 ]  - [  -0.0000351400000000,  0.0006831200000000,  0.0013133800000000 ]  - [   0.0006831200000000, -0.0000351400000000,  0.0013133800000000 ]  - [  -0.0004389700000000, -0.0004389700000000, -0.0004595900000000 ]  - [   0.0000744800000000, -0.0005245000000000, -0.0005670000000000 ]  - [  -0.0005245000000000,  0.0000744800000000, -0.0005670000000000 ]  - [   0.0113761500000000,  0.0113761500000000,  0.0051000300000000 ]  - [   0.0002549200000000,  0.0002549200000000,  0.0003394100000000 ]  - [   0.0023397900000000, -0.0012914500000000, -0.0016046300000000 ]  - [  -0.0012914500000000,  0.0023397900000000, -0.0016046300000000 ]  - [  -0.0046769400000000, -0.0046769400000000,  0.0040970400000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0001433800000000, -0.0005837500000000, -0.0002253500000000 ]  - [  -0.0006940000000000,  0.0006464500000000,  0.0004422900000000 ]  - [  -0.0015729800000000, -0.0015771000000000,  0.0009646900000000 ]  - [   0.0005957300000000,  0.0008230600000000,  0.0004348400000000 ]  - [  -0.0006134600000000,  0.0007107300000000, -0.0003315600000000 ]  - [  -0.0006942300000000, -0.0005021500000000, -0.0005601900000000 ]  - [  -0.0008012200000000,  0.0017388100000000, -0.0031673700000000 ]  - [   0.0000546700000000, -0.0003130300000000,  0.0004669600000000 ]  - [  -0.0003130300000000,  0.0000546700000000,  0.0004669600000000 ]  - [   0.0007107300000000, -0.0006134600000000, -0.0003315600000000 ]  - [   0.0017388100000000, -0.0008012200000000, -0.0031673700000000 ]  - [  -0.0005021500000000, -0.0006942300000000, -0.0005601900000000 ]  - [   0.0006464500000000, -0.0006940000000000,  0.0004422900000000 ]  - [   0.0008230600000000,  0.0005957300000000,  0.0004348400000000 ]  - [  -0.0015771000000000, -0.0015729800000000,  0.0009646900000000 ]  - [  -0.0005837500000000, -0.0001433800000000, -0.0002253500000000 ]  - [  -0.0041549400000000, -0.0041549400000000, -0.0006782200000000 ]  - [   0.0011974000000000,  0.0011974000000000, -0.0005629600000000 ]  - [   0.0002122600000000, -0.0001213800000000, -0.0010216900000000 ]  - [  -0.0001213800000000,  0.0002122600000000, -0.0010216900000000 ]  - [   0.0001567700000000,  0.0001567700000000,  0.0012474300000000 ]  - [  -0.0012973200000000,  0.0013670200000000,  0.0004680800000000 ]  - [   0.0013670200000000, -0.0012973200000000,  0.0004680800000000 ]  - [  -0.0009054300000000, -0.0009054300000000,  0.0007510000000000 ]  - [  -0.0002505600000000,  0.0004339200000000, -0.0000810700000000 ]  - [  -0.0001276200000000, -0.0006502000000000,  0.0002122800000000 ]  - [   0.0006089900000000,  0.0001876200000000, -0.0001374500000000 ]  - [   0.0029718600000000, -0.0328326500000000, -0.0206332700000000 ]  - [   0.0004339200000000, -0.0002505600000000, -0.0000810700000000 ]  - [   0.0001876200000000,  0.0006089900000000, -0.0001374500000000 ]  - [  -0.0006502000000000, -0.0001276200000000,  0.0002122800000000 ]  - [  -0.0328326500000000,  0.0029718600000000, -0.0206332700000000 ]  - [   0.0432695600000000,  0.0432695600000000,  0.0542796600000000 ]  - [   0.0003926600000000,  0.0003926600000000,  0.0009513500000000 ]  - [  -0.0006964300000000,  0.0000339900000000, -0.0002639300000000 ]  - [   0.0000339900000000, -0.0006964300000000, -0.0002639300000000 ]  - [  -0.0002866000000000, -0.0002866000000000, -0.0005963000000000 ]  - [   0.0006575700000000, -0.0001939800000000, -0.0004828100000000 ]  - [  -0.0001939800000000,  0.0006575700000000, -0.0004828100000000 ]  - [  -0.0105226100000000, -0.0105226100000000, -0.0062020800000000 ]  - [  -0.0002588200000000, -0.0002588200000000, -0.0003390900000000 ]  - [  -0.0023205100000000,  0.0012972900000000,  0.0015763800000000 ]  - [   0.0012972900000000, -0.0023205100000000,  0.0015763800000000 ]  - [   0.0047579900000000,  0.0047579900000000, -0.0041724400000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0003345900000000, -0.0005232800000000,  0.0003460200000000 ]  - [   0.0187896700000000, -0.0074504500000000, -0.0238592600000000 ]  - [  -0.0012549600000000, -0.0007423100000000,  0.0009020000000000 ]  - [   0.0009014400000000,  0.0007740400000000,  0.0002022100000000 ]  - [   0.0067077800000000, -0.0037984200000000,  0.0086144500000000 ]  - [  -0.0012603500000000, -0.0007656400000000, -0.0013992800000000 ]  - [   0.0007980300000000,  0.0007081800000000, -0.0008249200000000 ]  - [   0.0002158800000000, -0.0006469200000000, -0.0003193300000000 ]  - [  -0.0010528200000000,  0.0007551800000000, -0.0005731200000000 ]  - [   0.0213592700000000, -0.0091764400000000, -0.0259252200000000 ]  - [   0.0000238500000000,  0.0006520600000000, -0.0000199800000000 ]  - [  -0.0003784600000000, -0.0006182600000000, -0.0007218900000000 ]  - [   0.0078650100000000, -0.0050381000000000,  0.0094030700000000 ]  - [   0.0001270400000000,  0.0005117600000000, -0.0004779000000000 ]  - [  -0.0005985400000000, -0.0005704000000000,  0.0000956400000000 ]  - [  -0.0010631500000000,  0.0007509400000000,  0.0005995000000000 ]  - [  -0.0022135600000000, -0.0020771100000000, -0.0000792000000000 ]  - [   0.0283391300000000,  0.0262201300000000,  0.0179729500000000 ]  - [  -0.0017998900000000,  0.0011112100000000, -0.0001435600000000 ]  - [   0.0009239000000000, -0.0006307100000000, -0.0008780800000000 ]  - [  -0.0003212900000000, -0.0001822700000000,  0.0011473900000000 ]  - [  -0.0009631400000000,  0.0012544900000000,  0.0003530100000000 ]  - [   0.0000902200000000, -0.0007765500000000,  0.0010789800000000 ]  - [   0.0258476600000000,  0.0234324000000000,  0.0184226300000000 ]  - [  -0.0010153300000000, -0.0011302900000000, -0.0006249900000000 ]  - [   0.0092424300000000, -0.0033504900000000,  0.0050646300000000 ]  - [   0.0006050000000000, -0.0025585500000000, -0.0002847800000000 ]  - [   0.0005073800000000, -0.0005666600000000,  0.0000127000000000 ]  - [  -0.0001816000000000, -0.0019652800000000, -0.0006263800000000 ]  - [   0.0100532100000000, -0.0025001500000000,  0.0050526900000000 ]  - [  -0.0002624500000000, -0.0033845300000000, -0.0002622500000000 ]  - [  -0.0003472700000000,  0.0002938800000000,  0.0000148500000000 ]  - [  -0.0001121600000000, -0.0004254700000000,  0.0007846500000000 ]  - [  -0.0007930600000000,  0.0009329700000000,  0.0052196000000000 ]  - [   0.0043548900000000,  0.0035936500000000, -0.0007756400000000 ]  - [  -0.0013282700000000, -0.0004686400000000, -0.0018051500000000 ]  - [  -0.0015539500000000,  0.0001734900000000,  0.0042142300000000 ]  - [   0.0051521800000000,  0.0028662000000000, -0.0018132300000000 ]  - [  -0.0020362400000000,  0.0003002900000000, -0.0028543500000000 ]  - [   0.0006165600000000,  0.0002972000000000, -0.0002711600000000 ]  - [  -0.1309205900000000, -0.0169200000000000, -0.0141830000000000 ]  - [   0.0035847500000000,  0.0005936600000000, -0.0002917400000000 ]  - [  -0.0000219900000000, -0.0005938800000000,  0.0010798200000000 ]  - [   0.0030392000000000,  0.0016390700000000, -0.0015666100000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005208300000000, -0.0008048300000000,  0.0009066800000000 ]  - [  -0.0142083300000000,  0.0088977500000000,  0.0265430800000000 ]  - [  -0.0004531200000000, -0.0006466500000000, -0.0003719200000000 ]  - [   0.0004395700000000,  0.0002107700000000, -0.0009224100000000 ]  - [   0.0073599800000000, -0.0119918300000000,  0.0251466300000000 ]  - [  -0.0011886000000000, -0.0008403600000000, -0.0018449300000000 ]  - [   0.0007464100000000,  0.0008260600000000, -0.0012910200000000 ]  - [   0.0004745100000000, -0.0008719100000000, -0.0000135200000000 ]  - [  -0.0008719100000000,  0.0004745100000000, -0.0000135200000000 ]  - [  -0.0119918300000000,  0.0073599800000000,  0.0251466300000000 ]  - [   0.0008260600000000,  0.0007464100000000, -0.0012910200000000 ]  - [  -0.0008403600000000, -0.0011886000000000, -0.0018449300000000 ]  - [   0.0088977500000000, -0.0142083300000000,  0.0265430800000000 ]  - [   0.0002107700000000,  0.0004395700000000, -0.0009224100000000 ]  - [  -0.0006466500000000, -0.0004531200000000, -0.0003719200000000 ]  - [  -0.0008048300000000,  0.0005208300000000,  0.0009066800000000 ]  - [  -0.0019265200000000, -0.0019265200000000,  0.0000063000000000 ]  - [   0.0225466900000000,  0.0225466900000000,  0.0178954800000000 ]  - [  -0.0002167000000000,  0.0004748900000000, -0.0015261400000000 ]  - [   0.0004748900000000, -0.0002167000000000, -0.0015261400000000 ]  - [  -0.0000376900000000, -0.0000376900000000,  0.0012311300000000 ]  - [  -0.0014117700000000,  0.0016728300000000, -0.0002955500000000 ]  - [   0.0016728300000000, -0.0014117700000000, -0.0002955500000000 ]  - [   0.0201175100000000,  0.0201175100000000,  0.0189247000000000 ]  - [  -0.0014117100000000, -0.0005713400000000,  0.0022119700000000 ]  - [  -0.0067338200000000,  0.0006718800000000, -0.0047456400000000 ]  - [   0.0015422200000000, -0.0059366900000000, -0.0047881900000000 ]  - [   0.0006511700000000, -0.0002091900000000,  0.0003970100000000 ]  - [  -0.0005713400000000, -0.0014117100000000,  0.0022119700000000 ]  - [  -0.0059366900000000,  0.0015422200000000, -0.0047881900000000 ]  - [   0.0006718800000000, -0.0067338200000000, -0.0047456400000000 ]  - [  -0.0002091900000000,  0.0006511700000000,  0.0003970100000000 ]  - [  -0.0002730000000000, -0.0002730000000000,  0.0008670000000000 ]  - [   0.0007621000000000,  0.0007621000000000,  0.0046575600000000 ]  - [  -0.0017002400000000, -0.0020519200000000, -0.0010707300000000 ]  - [  -0.0020519200000000, -0.0017002400000000, -0.0010707300000000 ]  - [   0.0000116100000000,  0.0000116100000000,  0.0036131300000000 ]  - [  -0.0008923000000000, -0.0027488400000000, -0.0021092400000000 ]  - [  -0.0027488400000000, -0.0008923000000000, -0.0021092400000000 ]  - [   0.0004518900000000,  0.0004518900000000, -0.0001865800000000 ]  - [  -0.0141895000000000, -0.0141895000000000, -0.1253069300000000 ]  - [   0.0002917500000000,  0.0010798000000000,  0.0040537400000000 ]  - [   0.0010798000000000,  0.0002917500000000,  0.0040537400000000 ]  - [   0.0015666500000000,  0.0015666500000000, -0.0022614100000000 ]