# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1001e4f4-982c-4484-9229-1dc6053bc893/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 CdF2 / Fm-3m (225) / materials id 241](https://mdr.nims.go.jp/datasets/a45e3841-73a1-493f-b437-0819c070027e)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  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:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     2.698080505000000,     2.698080505000000 ] # a  - [     2.698080505000000,     0.000000000000000,     2.698080505000000 ] # b  - [     2.698080505000000,     2.698080505000000,     0.000000000000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403  - symbol: Cd # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000  reciprocal_lattice: # without 2pi  - [    -0.185316931453089,     0.185316931453089,     0.185316931453089 ] # a*  - [     0.185316931453089,    -0.185316931453089,     0.185316931453089 ] # b*  - [     0.185316931453089,     0.185316931453089,    -0.185316931453089 ] # c*unit_cell:  lattice:  - [     5.396161010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.396161010000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.396161010000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: Cd # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 9  - symbol: Cd # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 9  - symbol: Cd # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 9  - symbol: Cd # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 9supercell:  lattice:  - [    10.792322020000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.792322020000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.792322020000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 7    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 9    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 12    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 13    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 14    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 15    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 16    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 17    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 18    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 19    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 20    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 21    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 22    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 23    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 24    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 25    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 26    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 27    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 28    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 29    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 30    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 31    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 32    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 33    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 34    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 35    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 36    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 37    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 38    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 39    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 40    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 41    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 42    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 43    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 44    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 45    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 46    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 47    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 48    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 49    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 50    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 51    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 52    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 53    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 54    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 55    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 56    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 57    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 58    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 59    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 60    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 61    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 62    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 63    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: Cd # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 73    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 74    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 75    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 76    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 78    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 79    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 80    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 81    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 82    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 83    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 84    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 85    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 86    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 87    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 88    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 89    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 90    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 91    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 92    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 93    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 94    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 95    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65  - symbol: Cd # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 112.411000    reduced_to: 65born_effective_charge:- # 1 (F)  - [ -1.219874620000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.219874620000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.219874620000000 ]- # 2 (F)  - [ -1.219874620000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.219874620000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.219874620000000 ]- # 3 (Cd)  - [  2.439749240000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.439749240000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.439749240000000 ]dielectric_constant:  - [  2.870639780000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.870639780000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.870639780000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0539631900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0034072800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003207400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004377100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003207400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004377100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001975900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001757900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001035500000000,  0.0004406200000000,  0.0004406200000000 ]  - [   0.0001991600000000, -0.0004510500000000, -0.0004510500000000 ]  - [   0.0002077800000000, -0.0004535200000000,  0.0004535200000000 ]  - [  -0.0001092300000000,  0.0004431900000000, -0.0004431900000000 ]  - [   0.0002077800000000,  0.0004535200000000, -0.0004535200000000 ]  - [  -0.0001092300000000, -0.0004431900000000,  0.0004431900000000 ]  - [  -0.0001035500000000, -0.0004406200000000, -0.0004406200000000 ]  - [   0.0001991600000000,  0.0004510500000000,  0.0004510500000000 ]  - [  -0.0009238400000000, -0.0005195800000000, -0.0005195800000000 ]  - [   0.0005238400000000,  0.0000483200000000,  0.0000483200000000 ]  - [  -0.0009272900000000, -0.0005252400000000,  0.0005252400000000 ]  - [   0.0005244800000000,  0.0000504500000000, -0.0000504500000000 ]  - [  -0.0009272900000000,  0.0005252400000000, -0.0005252400000000 ]  - [   0.0005244800000000, -0.0000504500000000,  0.0000504500000000 ]  - [  -0.0009238400000000,  0.0005195800000000,  0.0005195800000000 ]  - [   0.0005238400000000, -0.0000483200000000, -0.0000483200000000 ]  - [   0.0172135900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0176129100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000337300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000386400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000337300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000386400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000077300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000055200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008301700000000,  0.0005213100000000,  0.0020725000000000 ]  - [   0.0008262200000000,  0.0005235000000000, -0.0020885700000000 ]  - [   0.0000037300000000, -0.0000494600000000,  0.0001158100000000 ]  - [   0.0000009000000000, -0.0000492300000000, -0.0001157700000000 ]  - [   0.0008301700000000, -0.0005213100000000, -0.0020725000000000 ]  - [   0.0008262200000000, -0.0005235000000000,  0.0020885700000000 ]  - [   0.0000037300000000,  0.0000494600000000, -0.0001158100000000 ]  - [   0.0000009000000000,  0.0000492300000000,  0.0001157700000000 ]  - [  -0.0050850600000000,  0.0000366600000000,  0.0021173800000000 ]  - [   0.0011197200000000, -0.0000036200000000, -0.0001562600000000 ]  - [  -0.0050850600000000, -0.0000366600000000, -0.0021173800000000 ]  - [   0.0011197200000000,  0.0000036200000000,  0.0001562600000000 ]  - [  -0.0002660600000000,  0.0000010700000000, -0.0001562700000000 ]  - [   0.0002718300000000, -0.0000002900000000, -0.0000227300000000 ]  - [  -0.0002660600000000, -0.0000010700000000,  0.0001562700000000 ]  - [   0.0002718300000000,  0.0000002900000000,  0.0000227300000000 ]  - [   0.0008301700000000,  0.0020725000000000,  0.0005213100000000 ]  - [   0.0008262200000000, -0.0020885700000000,  0.0005235000000000 ]  - [   0.0008301700000000, -0.0020725000000000, -0.0005213100000000 ]  - [   0.0008262200000000,  0.0020885700000000, -0.0005235000000000 ]  - [   0.0000037300000000,  0.0001158100000000, -0.0000494600000000 ]  - [   0.0000009000000000, -0.0001157700000000, -0.0000492300000000 ]  - [   0.0000037300000000, -0.0001158100000000,  0.0000494600000000 ]  - [   0.0000009000000000,  0.0001157700000000,  0.0000492300000000 ]  - [  -0.0050850600000000,  0.0021173800000000,  0.0000366600000000 ]  - [   0.0011197200000000, -0.0001562600000000, -0.0000036200000000 ]  - [  -0.0002660600000000, -0.0001562700000000,  0.0000010700000000 ]  - [   0.0002718300000000, -0.0000227300000000, -0.0000002900000000 ]  - [  -0.0050850600000000, -0.0021173800000000, -0.0000366600000000 ]  - [   0.0011197200000000,  0.0001562600000000,  0.0000036200000000 ]  - [  -0.0002660600000000,  0.0001562700000000, -0.0000010700000000 ]  - [   0.0002718300000000,  0.0000227300000000,  0.0000002900000000 ]  - [  -0.0004730000000000, -0.0001299200000000, -0.0001299200000000 ]  - [   0.0004136300000000,  0.0003194100000000,  0.0003194100000000 ]  - [  -0.0010504500000000,  0.0003270000000000, -0.0005218900000000 ]  - [   0.0010943000000000, -0.0004611300000000,  0.0004819100000000 ]  - [  -0.0010504500000000, -0.0005218900000000,  0.0003270000000000 ]  - [   0.0010943000000000,  0.0004819100000000, -0.0004611300000000 ]  - [  -0.0031724300000000,  0.0016996900000000,  0.0016996900000000 ]  - [   0.0097962600000000,  0.0041799400000000,  0.0041799400000000 ]  - [  -0.0031724300000000, -0.0016996900000000, -0.0016996900000000 ]  - [   0.0097962600000000, -0.0041799400000000, -0.0041799400000000 ]  - [  -0.0010504500000000,  0.0005218900000000, -0.0003270000000000 ]  - [   0.0010943000000000, -0.0004819100000000,  0.0004611300000000 ]  - [  -0.0010504500000000, -0.0003270000000000,  0.0005218900000000 ]  - [   0.0010943000000000,  0.0004611300000000, -0.0004819100000000 ]  - [  -0.0004730000000000,  0.0001299200000000,  0.0001299200000000 ]  - [   0.0004136300000000, -0.0003194100000000, -0.0003194100000000 ]  - [   0.0010776500000000, -0.0004852100000000, -0.0004668300000000 ]  - [  -0.0010450000000000,  0.0005257700000000,  0.0003299000000000 ]  - [   0.0095506500000000, -0.0038531700000000,  0.0038531700000000 ]  - [  -0.0031761500000000, -0.0017209100000000,  0.0017209100000000 ]  - [   0.0004072800000000, -0.0003211900000000,  0.0003211900000000 ]  - [  -0.0004691300000000,  0.0001313600000000, -0.0001313600000000 ]  - [   0.0010776500000000,  0.0004668300000000,  0.0004852100000000 ]  - [  -0.0010450000000000, -0.0003299000000000, -0.0005257700000000 ]  - [   0.0010776500000000, -0.0004668300000000, -0.0004852100000000 ]  - [  -0.0010450000000000,  0.0003299000000000,  0.0005257700000000 ]  - [   0.0004072800000000,  0.0003211900000000, -0.0003211900000000 ]  - [  -0.0004691300000000, -0.0001313600000000,  0.0001313600000000 ]  - [   0.0095506500000000,  0.0038531700000000, -0.0038531700000000 ]  - [  -0.0031761500000000,  0.0017209100000000, -0.0017209100000000 ]  - [   0.0010776500000000,  0.0004852100000000,  0.0004668300000000 ]  - [  -0.0010450000000000, -0.0005257700000000, -0.0003299000000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004719800000000, -0.0001308200000000, -0.0001308200000000 ]  - [   0.0004086800000000,  0.0003292500000000,  0.0003292500000000 ]  - [  -0.0010478500000000,  0.0003211600000000, -0.0005253800000000 ]  - [   0.0010822100000000, -0.0004634400000000,  0.0017110300000000 ]  - [  -0.0010478500000000, -0.0005253800000000,  0.0003211600000000 ]  - [   0.0010822100000000,  0.0017110300000000, -0.0004634400000000 ]  - [  -0.0031764700000000,  0.0004865000000000,  0.0004865000000000 ]  - [   0.0095539000000000,  0.0038457300000000,  0.0038457300000000 ]  - [   0.0097907700000000,  0.0041880800000000,  0.0041880800000000 ]  - [  -0.0031755500000000,  0.0004800800000000,  0.0004800800000000 ]  - [   0.0010855200000000,  0.0017090600000000, -0.0004646900000000 ]  - [  -0.0010493800000000, -0.0005230500000000,  0.0003202100000000 ]  - [   0.0010855200000000, -0.0004646900000000,  0.0017090600000000 ]  - [  -0.0010493800000000,  0.0003202100000000, -0.0005230500000000 ]  - [   0.0004099100000000,  0.0003284100000000,  0.0003284100000000 ]  - [  -0.0004731000000000, -0.0001302600000000, -0.0001302600000000 ]  - [  -0.0031764700000000, -0.0004865000000000, -0.0004865000000000 ]  - [   0.0095539000000000, -0.0038457300000000, -0.0038457300000000 ]  - [  -0.0010478500000000,  0.0005253800000000, -0.0003211600000000 ]  - [   0.0010822100000000, -0.0017110300000000,  0.0004634400000000 ]  - [  -0.0010478500000000, -0.0003211600000000,  0.0005253800000000 ]  - [   0.0010822100000000,  0.0004634400000000, -0.0017110300000000 ]  - [  -0.0004719800000000,  0.0001308200000000,  0.0001308200000000 ]  - [   0.0004086800000000, -0.0003292500000000, -0.0003292500000000 ]  - [   0.0004099100000000, -0.0003284100000000, -0.0003284100000000 ]  - [  -0.0004731000000000,  0.0001302600000000,  0.0001302600000000 ]  - [   0.0010855200000000,  0.0004646900000000, -0.0017090600000000 ]  - [  -0.0010493800000000, -0.0003202100000000,  0.0005230500000000 ]  - [   0.0010855200000000, -0.0017090600000000,  0.0004646900000000 ]  - [  -0.0010493800000000,  0.0005230500000000, -0.0003202100000000 ]  - [   0.0097907700000000, -0.0041880800000000, -0.0041880800000000 ]  - [  -0.0031755500000000, -0.0004800800000000, -0.0004800800000000 ]  - [   0.0010855200000000, -0.0017090600000000, -0.0004646900000000 ]  - [  -0.0010493800000000,  0.0005230500000000,  0.0003202100000000 ]  - [   0.0097907700000000, -0.0041880800000000,  0.0041880800000000 ]  - [  -0.0031755500000000, -0.0004800800000000,  0.0004800800000000 ]  - [   0.0004099100000000, -0.0003284100000000,  0.0003284100000000 ]  - [  -0.0004731000000000,  0.0001302600000000, -0.0001302600000000 ]  - [   0.0010855200000000,  0.0004646900000000,  0.0017090600000000 ]  - [  -0.0010493800000000, -0.0003202100000000, -0.0005230500000000 ]  - [  -0.0010478500000000, -0.0003211600000000, -0.0005253800000000 ]  - [   0.0010822100000000,  0.0004634400000000,  0.0017110300000000 ]  - [  -0.0004719800000000,  0.0001308200000000, -0.0001308200000000 ]  - [   0.0004086800000000, -0.0003292500000000,  0.0003292500000000 ]  - [  -0.0031764700000000, -0.0004865000000000,  0.0004865000000000 ]  - [   0.0095539000000000, -0.0038457300000000,  0.0038457300000000 ]  - [  -0.0010478500000000,  0.0005253800000000,  0.0003211600000000 ]  - [   0.0010822100000000, -0.0017110300000000, -0.0004634400000000 ]  - [   0.0010855200000000, -0.0004646900000000, -0.0017090600000000 ]  - [  -0.0010493800000000,  0.0003202100000000,  0.0005230500000000 ]  - [   0.0004099100000000,  0.0003284100000000, -0.0003284100000000 ]  - [  -0.0004731000000000, -0.0001302600000000,  0.0001302600000000 ]  - [   0.0097907700000000,  0.0041880800000000, -0.0041880800000000 ]  - [  -0.0031755500000000,  0.0004800800000000, -0.0004800800000000 ]  - [   0.0010855200000000,  0.0017090600000000,  0.0004646900000000 ]  - [  -0.0010493800000000, -0.0005230500000000, -0.0003202100000000 ]  - [  -0.0010478500000000, -0.0005253800000000, -0.0003211600000000 ]  - [   0.0010822100000000,  0.0017110300000000,  0.0004634400000000 ]  - [  -0.0031764700000000,  0.0004865000000000, -0.0004865000000000 ]  - [   0.0095539000000000,  0.0038457300000000, -0.0038457300000000 ]  - [  -0.0004719800000000, -0.0001308200000000,  0.0001308200000000 ]  - [   0.0004086800000000,  0.0003292500000000, -0.0003292500000000 ]  - [  -0.0010478500000000,  0.0003211600000000,  0.0005253800000000 ]  - [   0.0010822100000000, -0.0004634400000000, -0.0017110300000000 ]  - [  -0.0842814200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0063051300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0038815900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0024629300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0038815900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0024629300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0017467100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013094700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0081654900000000, -0.0000060500000000, -0.0000060500000000 ]  - [   0.0030014800000000,  0.0000030300000000,  0.0000030300000000 ]  - [  -0.0081654900000000,  0.0000060500000000, -0.0000060500000000 ]  - [   0.0030014800000000, -0.0000030300000000,  0.0000030300000000 ]  - [  -0.0081654900000000, -0.0000060500000000,  0.0000060500000000 ]  - [   0.0030014800000000,  0.0000030300000000, -0.0000030300000000 ]  - [  -0.0081654900000000,  0.0000060500000000,  0.0000060500000000 ]  - [   0.0030014800000000, -0.0000030300000000, -0.0000030300000000 ]  - [   0.0057808800000000,  0.0000000000000000,  0.0074165200000000 ]  - [   0.0057741800000000,  0.0000000000000000, -0.0073725400000000 ]  - [   0.0004549900000000,  0.0000000000000000,  0.0008182100000000 ]  - [   0.0004595400000000,  0.0000000000000000, -0.0008180700000000 ]  - [   0.0057808800000000,  0.0000000000000000, -0.0074165200000000 ]  - [   0.0057741800000000,  0.0000000000000000,  0.0073725400000000 ]  - [   0.0004549900000000,  0.0000000000000000, -0.0008182100000000 ]  - [   0.0004595400000000,  0.0000000000000000,  0.0008180700000000 ]  - [   0.0057808800000000,  0.0074165200000000,  0.0000000000000000 ]  - [   0.0057741800000000, -0.0073725400000000,  0.0000000000000000 ]  - [   0.0057808800000000, -0.0074165200000000,  0.0000000000000000 ]  - [   0.0057741800000000,  0.0073725400000000,  0.0000000000000000 ]  - [   0.0004549900000000,  0.0008182100000000,  0.0000000000000000 ]  - [   0.0004595400000000, -0.0008180700000000,  0.0000000000000000 ]  - [   0.0004549900000000, -0.0008182100000000,  0.0000000000000000 ]  - [   0.0004595400000000,  0.0008180700000000,  0.0000000000000000 ]