# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d7c24a32-b940-4ee3-8e3c-c478f8fca0d4/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 Cs2RbGaF6 / Fm-3m (225) / materials id 989618](https://mdr.nims.go.jp/datasets/a71cabb4-d262-495b-a426-e7b70f24b031)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     4.579850215000000,     4.579850215000000 ] # a  - [     4.579850215000000,     0.000000000000000,     4.579850215000000 ] # b  - [     4.579850215000000,     4.579850215000000,     0.000000000000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Rb # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800  - symbol: Ga # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: F  # 5    coordinates: [  0.208880350000000,  0.791119650000000,  0.791119650000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.208880350000000,  0.208880350000000,  0.791119650000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.791119650000000,  0.791119650000000,  0.208880350000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.208880350000000,  0.791119650000000,  0.208880350000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.791119650000000,  0.208880350000000,  0.791119650000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.791119650000000,  0.208880350000000,  0.208880350000000 ]    mass: 18.998403  reciprocal_lattice: # without 2pi  - [    -0.109173876115510,     0.109173876115510,     0.109173876115510 ] # a*  - [     0.109173876115510,    -0.109173876115510,     0.109173876115510 ] # b*  - [     0.109173876115510,     0.109173876115510,    -0.109173876115510 ] # c*unit_cell:  lattice:  - [     9.159700429999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.159700429999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.159700429999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 5    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Rb # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Ga # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: F  # 17    coordinates: [  0.291119650000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.708880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.291119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.000000000000000,  0.208880350000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.500000000000000,  0.291119650000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.708880350000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.291119650000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.208880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.791119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 26    coordinates: [  0.000000000000000,  0.708880350000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 27    coordinates: [  0.500000000000000,  0.791119650000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 28    coordinates: [  0.708880350000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 29    coordinates: [  0.791119650000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 30    coordinates: [  0.500000000000000,  0.500000000000000,  0.208880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 31    coordinates: [  0.500000000000000,  0.500000000000000,  0.791119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 32    coordinates: [  0.500000000000000,  0.208880350000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 33    coordinates: [  0.000000000000000,  0.291119650000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 34    coordinates: [  0.208880350000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 35    coordinates: [  0.791119650000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 36    coordinates: [  0.500000000000000,  0.000000000000000,  0.708880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.291119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 38    coordinates: [  0.500000000000000,  0.708880350000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 39    coordinates: [  0.000000000000000,  0.791119650000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 40    coordinates: [  0.208880350000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 22supercell:  lattice:  - [     9.159700429999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.159700429999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.159700429999999 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 5    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Rb # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Rb # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 9  - symbol: Ga # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000    reduced_to: 13  - symbol: F  # 17    coordinates: [  0.291119650000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.708880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.291119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.000000000000000,  0.208880350000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.500000000000000,  0.291119650000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.708880350000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.291119650000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.208880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.791119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 26    coordinates: [  0.000000000000000,  0.708880350000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 27    coordinates: [  0.500000000000000,  0.791119650000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 28    coordinates: [  0.708880350000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 29    coordinates: [  0.791119650000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 30    coordinates: [  0.500000000000000,  0.500000000000000,  0.208880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 31    coordinates: [  0.500000000000000,  0.500000000000000,  0.791119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 32    coordinates: [  0.500000000000000,  0.208880350000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 33    coordinates: [  0.000000000000000,  0.291119650000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 34    coordinates: [  0.208880350000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 35    coordinates: [  0.791119650000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 36    coordinates: [  0.500000000000000,  0.000000000000000,  0.708880350000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.291119650000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 38    coordinates: [  0.500000000000000,  0.708880350000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 39    coordinates: [  0.000000000000000,  0.791119650000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 40    coordinates: [  0.208880350000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 22displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0156389300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016875300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007028600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016875300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014902000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0052430200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014902000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008008400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009077700000000, -0.0018445400000000, -0.0018445400000000 ]  - [   0.0009077700000000,  0.0018445400000000,  0.0018445400000000 ]  - [   0.0008983500000000,  0.0018572200000000, -0.0018572200000000 ]  - [   0.0008983500000000, -0.0018572200000000,  0.0018572200000000 ]  - [   0.0013380000000000,  0.0037922400000000, -0.0037922400000000 ]  - [   0.0013380000000000, -0.0037922400000000,  0.0037922400000000 ]  - [   0.0013127600000000, -0.0038134900000000, -0.0038134900000000 ]  - [   0.0013127600000000,  0.0038134900000000,  0.0038134900000000 ]  - [   0.0021639100000000, -0.0003464200000000, -0.0003464200000000 ]  - [  -0.0000585900000000,  0.0010678600000000, -0.0007203400000000 ]  - [   0.0000260700000000,  0.0003510500000000, -0.0003282800000000 ]  - [  -0.0000585900000000, -0.0007203400000000,  0.0010678600000000 ]  - [  -0.0000061300000000, -0.0007538600000000, -0.0010321900000000 ]  - [  -0.0017063000000000, -0.0002810500000000, -0.0002810500000000 ]  - [   0.0021639100000000,  0.0003464200000000,  0.0003464200000000 ]  - [   0.0000260700000000, -0.0003510500000000,  0.0003282800000000 ]  - [  -0.0000585900000000, -0.0010678600000000,  0.0007203400000000 ]  - [   0.0000260700000000,  0.0003282800000000, -0.0003510500000000 ]  - [   0.0000317600000000,  0.0002904500000000,  0.0003515100000000 ]  - [  -0.0017063000000000,  0.0002810500000000,  0.0002810500000000 ]  - [  -0.0017449900000000,  0.0002772700000000, -0.0002772700000000 ]  - [   0.0000317600000000, -0.0003515100000000, -0.0002904500000000 ]  - [  -0.0000061300000000, -0.0010321900000000, -0.0007538600000000 ]  - [  -0.0000061300000000,  0.0007538600000000,  0.0010321900000000 ]  - [  -0.0000585900000000,  0.0007203400000000, -0.0010678600000000 ]  - [   0.0021905600000000,  0.0003534200000000, -0.0003534200000000 ]  - [  -0.0017449900000000, -0.0002772700000000,  0.0002772700000000 ]  - [  -0.0000061300000000,  0.0010321900000000,  0.0007538600000000 ]  - [   0.0000317600000000,  0.0003515100000000,  0.0002904500000000 ]  - [   0.0000317600000000, -0.0002904500000000, -0.0003515100000000 ]  - [   0.0000260700000000, -0.0003282800000000,  0.0003510500000000 ]  - [   0.0021905600000000, -0.0003534200000000,  0.0003534200000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0008480100000000, -0.0018572900000000, -0.0018572900000000 ]  - [   0.0008480100000000, -0.0018572900000000,  0.0018572900000000 ]  - [   0.0008480100000000,  0.0018572900000000,  0.0018572900000000 ]  - [   0.0008480100000000,  0.0018572900000000, -0.0018572900000000 ]  - [   0.0008583600000000,  0.0018445700000000, -0.0018445700000000 ]  - [   0.0008583600000000,  0.0018445700000000,  0.0018445700000000 ]  - [   0.0008583600000000, -0.0018445700000000,  0.0018445700000000 ]  - [   0.0008583600000000, -0.0018445700000000, -0.0018445700000000 ]  - [  -0.0429803500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007938000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008777100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008777100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0020044400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0020044400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0017925800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0140470800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0147807100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008710200000000,  0.0000000000000000,  0.0000440500000000 ]  - [   0.0008710200000000,  0.0000000000000000, -0.0000440500000000 ]  - [   0.0008710200000000,  0.0000440500000000,  0.0000000000000000 ]  - [  -0.0023966800000000, -0.0000166400000000,  0.0000000000000000 ]  - [   0.0138478000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004652900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007506700000000,  0.0000000000000000,  0.0000220500000000 ]  - [   0.0007506700000000,  0.0000000000000000, -0.0000220500000000 ]  - [   0.0007506700000000,  0.0000220500000000,  0.0000000000000000 ]  - [  -0.0008068800000000, -0.0000158200000000,  0.0000000000000000 ]  - [  -0.0004332600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004674200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0023966800000000,  0.0000000000000000,  0.0000166400000000 ]  - [  -0.0023966800000000,  0.0000000000000000, -0.0000166400000000 ]  - [  -0.0008068800000000,  0.0000158200000000,  0.0000000000000000 ]  - [   0.0007506700000000, -0.0000220500000000,  0.0000000000000000 ]  - [   0.0005125500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004674200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0008068800000000,  0.0000000000000000,  0.0000158200000000 ]  - [  -0.0008068800000000,  0.0000000000000000, -0.0000158200000000 ]  - [  -0.0023966800000000,  0.0000166400000000,  0.0000000000000000 ]  - [   0.0008710200000000, -0.0000440500000000,  0.0000000000000000 ]  - [   0.0005125500000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0012747200000000,  0.0038108000000000, -0.0038108000000000 ]  - [   0.0012747200000000,  0.0038108000000000,  0.0038108000000000 ]  - [   0.0012747200000000, -0.0038108000000000,  0.0038108000000000 ]  - [   0.0012747200000000, -0.0038108000000000, -0.0038108000000000 ]  - [   0.0012906700000000, -0.0037971300000000, -0.0037971300000000 ]  - [   0.0012906700000000, -0.0037971300000000,  0.0037971300000000 ]  - [   0.0012906700000000,  0.0037971300000000,  0.0037971300000000 ]  - [   0.0012906700000000,  0.0037971300000000, -0.0037971300000000 ]  - [  -0.0019964100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0019964100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0017970800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0140480100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.2099749100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0038352700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0038025500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0038025500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010190700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016029400000000,  0.0000000000000000,  0.0000158200000000 ]  - [   0.0016029400000000,  0.0000000000000000, -0.0000158200000000 ]  - [   0.0144516400000000, -0.0001999400000000,  0.0000000000000000 ]  - [  -0.0025916600000000, -0.0000247500000000,  0.0000000000000000 ]  - [  -0.0009971200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010190700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0144516400000000,  0.0000000000000000, -0.0001999400000000 ]  - [   0.0144516400000000,  0.0000000000000000,  0.0001999400000000 ]  - [   0.0016029400000000,  0.0000158200000000,  0.0000000000000000 ]  - [  -0.0015983500000000, -0.0000184600000000,  0.0000000000000000 ]  - [  -0.0009971200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010062200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0015983500000000,  0.0000000000000000,  0.0000184600000000 ]  - [  -0.0015983500000000,  0.0000000000000000, -0.0000184600000000 ]  - [  -0.0015983500000000,  0.0000184600000000,  0.0000000000000000 ]  - [   0.0016029400000000, -0.0000158200000000,  0.0000000000000000 ]  - [   0.0010569700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0664193000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0025916600000000,  0.0000000000000000,  0.0000247500000000 ]  - [  -0.0025916600000000,  0.0000000000000000, -0.0000247500000000 ]  - [  -0.0025916600000000,  0.0000247500000000,  0.0000000000000000 ]  - [   0.0144516400000000,  0.0001999400000000,  0.0000000000000000 ]  - [   0.0721828200000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003553000000000, -0.0001033300000000, -0.0010667000000000 ]  - [  -0.0003553000000000, -0.0001033300000000,  0.0010667000000000 ]  - [   0.0003456600000000, -0.0000630400000000, -0.0010338800000000 ]  - [   0.0003456600000000, -0.0000630400000000,  0.0010338800000000 ]  - [   0.0002816200000000, -0.0000240500000000,  0.0003539800000000 ]  - [   0.0002816200000000, -0.0000240500000000, -0.0003539800000000 ]  - [  -0.0002781600000000, -0.0000180700000000,  0.0003521300000000 ]  - [  -0.0002781600000000, -0.0000180700000000, -0.0003521300000000 ]  - [   0.0000307700000000,  0.0008694800000000,  0.0000000000000000 ]  - [   0.0000028300000000, -0.0008046800000000,  0.0000000000000000 ]  - [  -0.0000019900000000,  0.0007481900000000,  0.0000000000000000 ]  - [  -0.0000033300000000, -0.0023932000000000,  0.0000000000000000 ]  - [   0.0000058800000000, -0.0026001900000000,  0.0000000000000000 ]  - [   0.0000031600000000,  0.0016019800000000,  0.0000000000000000 ]  - [  -0.0000068200000000, -0.0016057100000000,  0.0000000000000000 ]  - [  -0.0001283400000000,  0.0144513700000000,  0.0000000000000000 ]  - [   0.0000213300000000, -0.0217679700000000,  0.0000000000000000 ]  - [  -0.0000008000000000, -0.0007568800000000,  0.0000194000000000 ]  - [  -0.0000008000000000, -0.0007568800000000, -0.0000194000000000 ]  - [   0.0008594500000000,  0.0009242900000000,  0.0000000000000000 ]  - [  -0.0098594300000000,  0.0071083700000000,  0.0000000000000000 ]  - [   0.0000178300000000, -0.0012873800000000,  0.0000000000000000 ]  - [  -0.0000175200000000,  0.0014354000000000,  0.0000000000000000 ]  - [  -0.0000023800000000,  0.0007989200000000,  0.0000204200000000 ]  - [  -0.0000023800000000,  0.0007989200000000, -0.0000204200000000 ]  - [  -0.0003855800000000, -0.0004218700000000,  0.0000000000000000 ]  - [   0.0003858300000000,  0.0003679100000000,  0.0000000000000000 ]  - [   0.0000184600000000,  0.0003453300000000,  0.0000000000000000 ]  - [  -0.0000215700000000, -0.0003555500000000,  0.0000000000000000 ]  - [  -0.0000321000000000, -0.0035269900000000, -0.0000221600000000 ]  - [  -0.0000321000000000, -0.0035269900000000,  0.0000221600000000 ]  - [  -0.0003809800000000,  0.0004165200000000,  0.0000000000000000 ]  - [   0.0003809400000000, -0.0004536900000000,  0.0000000000000000 ]  - [   0.0000188400000000, -0.0010181400000000,  0.0000000000000000 ]  - [  -0.0000214600000000,  0.0006294800000000,  0.0000000000000000 ]  - [   0.0000017300000000,  0.0007984300000000,  0.0000192200000000 ]  - [   0.0000017300000000,  0.0007984300000000, -0.0000192200000000 ]  - [   0.0100082100000000,  0.0071881900000000,  0.0000000000000000 ]  - [  -0.0008687600000000,  0.0008783900000000,  0.0000000000000000 ]  - [   0.0000217000000000,  0.0015334900000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0021240500000000, -0.0007424700000000, -0.0007424700000000 ]  - [   0.0021240500000000, -0.0007424700000000,  0.0007424700000000 ]  - [   0.0021240500000000,  0.0007424700000000,  0.0007424700000000 ]  - [   0.0021240500000000,  0.0007424700000000, -0.0007424700000000 ]  - [  -0.0017681400000000,  0.0003105200000000, -0.0003105200000000 ]  - [  -0.0017681400000000,  0.0003105200000000,  0.0003105200000000 ]  - [  -0.0017681400000000, -0.0003105200000000,  0.0003105200000000 ]  - [  -0.0017681400000000, -0.0003105200000000, -0.0003105200000000 ]  - [   0.0138613500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004480000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004967800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004967800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010196400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010196400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010397000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0721516900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.1266081700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009095100000000,  0.0000000000000000,  0.0024768400000000 ]  - [   0.0009095100000000,  0.0000000000000000, -0.0024768400000000 ]  - [   0.0009095100000000,  0.0024768400000000,  0.0000000000000000 ]  - [   0.0071768400000000, -0.0139635900000000,  0.0000000000000000 ]  - [   0.0068506900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007783300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003962300000000,  0.0000000000000000, -0.0004713000000000 ]  - [   0.0003962300000000,  0.0000000000000000,  0.0004713000000000 ]  - [   0.0003962300000000, -0.0004713000000000,  0.0000000000000000 ]  - [  -0.0004407300000000,  0.0004686100000000,  0.0000000000000000 ]  - [   0.0002490400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015890800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0071768400000000,  0.0000000000000000,  0.0139635900000000 ]  - [   0.0071768400000000,  0.0000000000000000, -0.0139635900000000 ]  - [  -0.0004407300000000, -0.0004686100000000,  0.0000000000000000 ]  - [   0.0003962300000000,  0.0004713000000000,  0.0000000000000000 ]  - [  -0.0010207500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015890800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004407300000000,  0.0000000000000000, -0.0004686100000000 ]  - [  -0.0004407300000000,  0.0000000000000000,  0.0004686100000000 ]  - [   0.0071768400000000,  0.0139635900000000,  0.0000000000000000 ]  - [   0.0009095100000000, -0.0024768400000000,  0.0000000000000000 ]  - [  -0.0010207500000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0021344200000000,  0.0007317200000000,  0.0007317200000000 ]  - [  -0.0021344200000000,  0.0007317200000000, -0.0007317200000000 ]  - [  -0.0021344200000000, -0.0007317200000000, -0.0007317200000000 ]  - [  -0.0021344200000000, -0.0007317200000000,  0.0007317200000000 ]  - [   0.0017709100000000, -0.0003031900000000,  0.0003031900000000 ]  - [   0.0017709100000000, -0.0003031900000000, -0.0003031900000000 ]  - [   0.0017709100000000,  0.0003031900000000, -0.0003031900000000 ]  - [   0.0017709100000000,  0.0003031900000000,  0.0003031900000000 ]  - [  -0.0147769200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004427700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004876400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004876400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010051500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010051500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010216500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0664427400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.1216801400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009015900000000,  0.0000000000000000, -0.0024563500000000 ]  - [  -0.0009015900000000,  0.0000000000000000,  0.0024563500000000 ]  - [  -0.0009015900000000, -0.0024563500000000,  0.0000000000000000 ]  - [  -0.0071288800000000,  0.0137011500000000,  0.0000000000000000 ]  - [  -0.0068937900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007200100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003894100000000,  0.0000000000000000,  0.0005140500000000 ]  - [  -0.0003894100000000,  0.0000000000000000, -0.0005140500000000 ]  - [  -0.0003894100000000,  0.0005140500000000,  0.0000000000000000 ]  - [   0.0004322000000000, -0.0005089500000000,  0.0000000000000000 ]  - [  -0.0002081800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016324300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0071288800000000,  0.0000000000000000, -0.0137011500000000 ]  - [  -0.0071288800000000,  0.0000000000000000,  0.0137011500000000 ]  - [   0.0004322000000000,  0.0005089500000000,  0.0000000000000000 ]  - [  -0.0003894100000000, -0.0005140500000000,  0.0000000000000000 ]  - [   0.0010674600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016324300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004322000000000,  0.0000000000000000,  0.0005089500000000 ]  - [   0.0004322000000000,  0.0000000000000000, -0.0005089500000000 ]  - [  -0.0071288800000000, -0.0137011500000000,  0.0000000000000000 ]  - [  -0.0009015900000000,  0.0024563500000000,  0.0000000000000000 ]  - [   0.0010674600000000,  0.0000000000000000,  0.0000000000000000 ]