# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a6ac4202-af38-4d1a-9b1a-b5ac460d1c2a/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 K2SnCl6 / Fm-3m (225) / materials id 23499](https://mdr.nims.go.jp/datasets/aa35a78a-6568-4bfa-8871-ab360765dace)

## 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,     4.982976245000000,     4.982976245000000 ] # a  - [     4.982976245000000,     0.000000000000000,     4.982976245000000 ] # b  - [     4.982976245000000,     4.982976245000000,     0.000000000000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.755101920000000,  0.244898080000000,  0.755101920000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.244898080000000,  0.244898080000000,  0.755101920000000 ]    mass: 35.453000  - symbol: Cl # 3    coordinates: [  0.755101920000000,  0.755101920000000,  0.244898080000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.244898080000000,  0.755101920000000,  0.244898080000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.244898080000000,  0.755101920000000,  0.755101920000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.755101920000000,  0.244898080000000,  0.244898080000000 ]    mass: 35.453000  - symbol: K  # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000  reciprocal_lattice: # without 2pi  - [    -0.100341638293321,     0.100341638293321,     0.100341638293321 ] # a*  - [     0.100341638293321,    -0.100341638293321,     0.100341638293321 ] # b*  - [     0.100341638293321,     0.100341638293321,    -0.100341638293321 ] # c*unit_cell:  lattice:  - [     9.965952489999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.965952489999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.965952489999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.500000000000000,  0.255101920000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.744898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.255101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.000000000000000,  0.244898080000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.755101920000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.244898080000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.500000000000000,  0.755101920000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.244898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.755101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 10    coordinates: [  0.000000000000000,  0.744898080000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 11    coordinates: [  0.755101920000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 12    coordinates: [  0.244898080000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 13    coordinates: [  0.000000000000000,  0.255101920000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.244898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.755101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 16    coordinates: [  0.500000000000000,  0.244898080000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 17    coordinates: [  0.255101920000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 18    coordinates: [  0.744898080000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 19    coordinates: [  0.000000000000000,  0.755101920000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.744898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 21    coordinates: [  0.000000000000000,  0.500000000000000,  0.255101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 22    coordinates: [  0.500000000000000,  0.744898080000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 23    coordinates: [  0.255101920000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 24    coordinates: [  0.744898080000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: K  # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 26    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 28    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 29    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 31    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: Sn # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 34    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 33supercell:  lattice:  - [     9.965952489999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.965952489999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.965952489999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.500000000000000,  0.255101920000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.744898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.255101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 4    coordinates: [  0.000000000000000,  0.244898080000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 5    coordinates: [  0.755101920000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.244898080000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.500000000000000,  0.755101920000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.244898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.755101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 10    coordinates: [  0.000000000000000,  0.744898080000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 11    coordinates: [  0.755101920000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 12    coordinates: [  0.244898080000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 13    coordinates: [  0.000000000000000,  0.255101920000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.244898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.755101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 16    coordinates: [  0.500000000000000,  0.244898080000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 17    coordinates: [  0.255101920000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 18    coordinates: [  0.744898080000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 19    coordinates: [  0.000000000000000,  0.755101920000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.744898080000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 21    coordinates: [  0.000000000000000,  0.500000000000000,  0.255101920000000 ]    mass: 35.453000    reduced_to: 3  - symbol: Cl # 22    coordinates: [  0.500000000000000,  0.744898080000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 4  - symbol: Cl # 23    coordinates: [  0.255101920000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 24    coordinates: [  0.744898080000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 6  - symbol: K  # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 26    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 28    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 29    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 31    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 26  - symbol: Sn # 33    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 34    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 35    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 33  - symbol: Sn # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 33displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0155192500000000,  0.0000343100000000,  0.0000000000000000 ]  - [  -0.0003270900000000,  0.0000021700000000,  0.0000121800000000 ]  - [  -0.0003270900000000,  0.0000021700000000, -0.0000121800000000 ]  - [   0.0005062000000000,  0.0000157300000000,  0.0000000000000000 ]  - [   0.0013824400000000, -0.0015026500000000,  0.0000000000000000 ]  - [   0.0014170800000000,  0.0014748400000000,  0.0000000000000000 ]  - [  -0.0000673000000000, -0.0000228200000000,  0.0000000000000000 ]  - [  -0.0018473500000000, -0.0000156300000000, -0.0000035500000000 ]  - [  -0.0018473500000000, -0.0000156300000000,  0.0000035500000000 ]  - [   0.0000722800000000,  0.0000140000000000,  0.0000000000000000 ]  - [   0.0000978200000000,  0.0000743500000000,  0.0000000000000000 ]  - [   0.0001310700000000, -0.0000719100000000,  0.0000000000000000 ]  - [   0.0002552100000000, -0.0000111800000000,  0.0000000000000000 ]  - [   0.0002254600000000, -0.0000001200000000,  0.0000109200000000 ]  - [   0.0002254600000000, -0.0000001200000000, -0.0000109200000000 ]  - [  -0.0002313300000000,  0.0000205800000000,  0.0000000000000000 ]  - [  -0.0001372700000000,  0.0000746800000000,  0.0000000000000000 ]  - [  -0.0001185000000000, -0.0000744300000000,  0.0000000000000000 ]  - [   0.0005124400000000, -0.0000196800000000,  0.0000000000000000 ]  - [   0.0002240400000000,  0.0000004200000000,  0.0000093200000000 ]  - [   0.0002240400000000,  0.0000004200000000, -0.0000093200000000 ]  - [  -0.0007535900000000,  0.0000023600000000,  0.0000000000000000 ]  - [   0.0041932900000000, -0.0067878600000000,  0.0000000000000000 ]  - [   0.0042643600000000,  0.0068816200000000,  0.0000000000000000 ]  - [   0.0000971700000000, -0.0003282100000000,  0.0004376700000000 ]  - [   0.0000971700000000, -0.0003282100000000, -0.0004376700000000 ]  - [   0.0000375400000000,  0.0002159000000000, -0.0003216000000000 ]  - [   0.0000375400000000,  0.0002159000000000,  0.0003216000000000 ]  - [   0.0001219300000000,  0.0003261900000000,  0.0004120800000000 ]  - [   0.0001219300000000,  0.0003261900000000, -0.0004120800000000 ]  - [   0.0000398100000000, -0.0002124800000000, -0.0003226000000000 ]  - [   0.0000398100000000, -0.0002124800000000,  0.0003226000000000 ]  - [  -0.0012218200000000,  0.0000043600000000,  0.0000000000000000 ]  - [  -0.0002726700000000, -0.0000006100000000,  0.0000000000000000 ]  - [   0.0003974900000000,  0.0000014700000000,  0.0000000000000000 ]  - [   0.0079490300000000, -0.0000836600000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0930432900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013851200000000,  0.0028204500000000 ]  - [   0.0000000000000000,  0.0013851200000000, -0.0028204500000000 ]  - [   0.0000000000000000, -0.0007833200000000,  0.0000000000000000 ]  - [  -0.0028204500000000,  0.0013851200000000,  0.0000000000000000 ]  - [   0.0028204500000000,  0.0013851200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0020512100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0042578100000000,  0.0059636600000000 ]  - [   0.0000000000000000,  0.0042578100000000, -0.0059636600000000 ]  - [   0.0000000000000000,  0.0005546800000000,  0.0000000000000000 ]  - [   0.0003703200000000, -0.0001243200000000,  0.0000000000000000 ]  - [  -0.0003703200000000, -0.0001243200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0007745000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001124000000000, -0.0003627600000000 ]  - [   0.0000000000000000,  0.0001124000000000,  0.0003627600000000 ]  - [   0.0000000000000000, -0.0007833200000000,  0.0000000000000000 ]  - [   0.0003627600000000,  0.0001124000000000,  0.0000000000000000 ]  - [  -0.0003627600000000,  0.0001124000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0020512100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001243200000000, -0.0003703200000000 ]  - [   0.0000000000000000, -0.0001243200000000,  0.0003703200000000 ]  - [   0.0000000000000000,  0.0024210400000000,  0.0000000000000000 ]  - [  -0.0059636600000000,  0.0042578100000000,  0.0000000000000000 ]  - [   0.0059636600000000,  0.0042578100000000,  0.0000000000000000 ]  - [  -0.0010454100000000,  0.0012548900000000,  0.0010454100000000 ]  - [  -0.0010454100000000,  0.0012548900000000, -0.0010454100000000 ]  - [   0.0002118400000000, -0.0011027700000000,  0.0002118400000000 ]  - [   0.0002118400000000, -0.0011027700000000, -0.0002118400000000 ]  - [   0.0010454100000000,  0.0012548900000000, -0.0010454100000000 ]  - [   0.0010454100000000,  0.0012548900000000,  0.0010454100000000 ]  - [  -0.0002118400000000, -0.0011027700000000, -0.0002118400000000 ]  - [  -0.0002118400000000, -0.0011027700000000,  0.0002118400000000 ]  - [   0.0000000000000000, -0.0002366200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002910900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002366200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0653559300000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0895116000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0013960100000000, -0.0028276100000000 ]  - [   0.0000000000000000, -0.0013960100000000,  0.0028276100000000 ]  - [   0.0000000000000000,  0.0008149900000000,  0.0000000000000000 ]  - [   0.0028276100000000, -0.0013960100000000,  0.0000000000000000 ]  - [  -0.0028276100000000, -0.0013960100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0020961700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0042155100000000, -0.0058311800000000 ]  - [   0.0000000000000000, -0.0042155100000000,  0.0058311800000000 ]  - [   0.0000000000000000, -0.0005226600000000,  0.0000000000000000 ]  - [  -0.0003949700000000,  0.0001250800000000,  0.0000000000000000 ]  - [   0.0003949700000000,  0.0001250800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0007417200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001096200000000,  0.0003947700000000 ]  - [   0.0000000000000000, -0.0001096200000000, -0.0003947700000000 ]  - [   0.0000000000000000,  0.0008149900000000,  0.0000000000000000 ]  - [  -0.0003947700000000, -0.0001096200000000,  0.0000000000000000 ]  - [   0.0003947700000000, -0.0001096200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0020961700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001250800000000,  0.0003949700000000 ]  - [   0.0000000000000000,  0.0001250800000000, -0.0003949700000000 ]  - [   0.0000000000000000, -0.0024235300000000,  0.0000000000000000 ]  - [   0.0058311800000000, -0.0042155100000000,  0.0000000000000000 ]  - [  -0.0058311800000000, -0.0042155100000000,  0.0000000000000000 ]  - [   0.0010357200000000, -0.0012619700000000, -0.0010357200000000 ]  - [   0.0010357200000000, -0.0012619700000000,  0.0010357200000000 ]  - [  -0.0002131000000000,  0.0011027200000000, -0.0002131000000000 ]  - [  -0.0002131000000000,  0.0011027200000000,  0.0002131000000000 ]  - [  -0.0010357200000000, -0.0012619700000000,  0.0010357200000000 ]  - [  -0.0010357200000000, -0.0012619700000000, -0.0010357200000000 ]  - [   0.0002131000000000,  0.0011027200000000,  0.0002131000000000 ]  - [   0.0002131000000000,  0.0011027200000000, -0.0002131000000000 ]  - [   0.0000000000000000,  0.0002234300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002887900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002234300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0618815900000000,  0.0000000000000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001240900000000, -0.0010577300000000,  0.0004146700000000 ]  - [   0.0000379200000000,  0.0003207700000000, -0.0001976200000000 ]  - [   0.0001240900000000,  0.0004146700000000, -0.0010577300000000 ]  - [   0.0000938900000000, -0.0010253100000000, -0.0004390000000000 ]  - [  -0.0011200100000000, -0.0002133100000000, -0.0002133100000000 ]  - [   0.0012746300000000, -0.0003274900000000, -0.0003274900000000 ]  - [   0.0000379200000000,  0.0001976200000000, -0.0003207700000000 ]  - [   0.0001240900000000, -0.0004146700000000,  0.0010577300000000 ]  - [   0.0000379200000000, -0.0003207700000000,  0.0001976200000000 ]  - [   0.0000352000000000,  0.0002281600000000,  0.0003185700000000 ]  - [  -0.0011200100000000,  0.0002133100000000,  0.0002133100000000 ]  - [   0.0012746300000000,  0.0003274900000000,  0.0003274900000000 ]  - [   0.0000938900000000,  0.0010253100000000,  0.0004390000000000 ]  - [   0.0000938900000000, -0.0004390000000000, -0.0010253100000000 ]  - [   0.0000352000000000, -0.0003185700000000, -0.0002281600000000 ]  - [   0.0001240900000000,  0.0010577300000000, -0.0004146700000000 ]  - [   0.0012472500000000,  0.0003270400000000, -0.0003270400000000 ]  - [  -0.0010948100000000,  0.0002154000000000, -0.0002154000000000 ]  - [   0.0000352000000000, -0.0002281600000000, -0.0003185700000000 ]  - [   0.0000352000000000,  0.0003185700000000,  0.0002281600000000 ]  - [   0.0000938900000000,  0.0004390000000000,  0.0010253100000000 ]  - [   0.0000379200000000, -0.0001976200000000,  0.0003207700000000 ]  - [   0.0012472500000000, -0.0003270400000000,  0.0003270400000000 ]  - [  -0.0010948100000000, -0.0002154000000000,  0.0002154000000000 ]  - [  -0.0055596000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010265500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004247300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010265500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010926300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023774200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010926300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004313800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003207300000000,  0.0026154200000000,  0.0026154200000000 ]  - [   0.0003207300000000, -0.0026154200000000, -0.0026154200000000 ]  - [   0.0003117000000000, -0.0026251000000000,  0.0026251000000000 ]  - [   0.0003117000000000,  0.0026251000000000, -0.0026251000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012054800000000, -0.0000444700000000,  0.0000000000000000 ]  - [  -0.0012054800000000,  0.0000000000000000,  0.0000444700000000 ]  - [  -0.0012054800000000,  0.0000000000000000, -0.0000444700000000 ]  - [   0.0079419700000000, -0.0001303100000000,  0.0000000000000000 ]  - [   0.0618638800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0654036400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002631100000000, -0.0000321800000000,  0.0000000000000000 ]  - [  -0.0002631100000000,  0.0000000000000000,  0.0000321800000000 ]  - [  -0.0002631100000000,  0.0000000000000000, -0.0000321800000000 ]  - [   0.0003956000000000,  0.0000326100000000,  0.0000000000000000 ]  - [   0.0002583100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003372000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003956000000000, -0.0000326100000000,  0.0000000000000000 ]  - [   0.0079419700000000,  0.0000000000000000, -0.0001303100000000 ]  - [   0.0079419700000000,  0.0000000000000000,  0.0001303100000000 ]  - [  -0.0002631100000000,  0.0000321800000000,  0.0000000000000000 ]  - [  -0.0002524100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001985900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0079419700000000,  0.0001303100000000,  0.0000000000000000 ]  - [   0.0003956000000000,  0.0000000000000000,  0.0000326100000000 ]  - [   0.0003956000000000,  0.0000000000000000, -0.0000326100000000 ]  - [  -0.0012054800000000,  0.0000444700000000,  0.0000000000000000 ]  - [  -0.0002524100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001985900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003163900000000,  0.0026282400000000,  0.0026282400000000 ]  - [   0.0003163900000000,  0.0026282400000000, -0.0026282400000000 ]  - [   0.0003163900000000, -0.0026282400000000, -0.0026282400000000 ]  - [   0.0003163900000000, -0.0026282400000000,  0.0026282400000000 ]  - [   0.0003267900000000, -0.0026127100000000,  0.0026127100000000 ]  - [   0.0003267900000000, -0.0026127100000000, -0.0026127100000000 ]  - [   0.0003267900000000,  0.0026127100000000, -0.0026127100000000 ]  - [   0.0003267900000000,  0.0026127100000000,  0.0026127100000000 ]  - [  -0.1556777500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011767200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000775800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000775800000000,  0.0000000000000000,  0.0000000000000000 ]