# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/589a1fe4-ca99-474a-9adb-3673a4351d9a/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 CeO2 / Fm-3m (225) / materials id 20194](https://mdr.nims.go.jp/datasets/bc026437-ba6c-4125-87ff-b9c8f16c8260)

## 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,     2.698908310000000,     2.698908310000000 ] # a  - [     2.698908310000000,     0.000000000000000,     2.698908310000000 ] # b  - [     2.698908310000000,     2.698908310000000,     0.000000000000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400  - symbol: Ce # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 140.116000  reciprocal_lattice: # without 2pi  - [    -0.185260091329297,     0.185260091329297,     0.185260091329297 ] # a*  - [     0.185260091329297,    -0.185260091329297,     0.185260091329297 ] # b*  - [     0.185260091329297,     0.185260091329297,    -0.185260091329297 ] # c*unit_cell:  lattice:  - [     5.397816620000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.397816620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.397816620000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: Ce # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 9  - symbol: Ce # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 9  - symbol: Ce # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 9  - symbol: Ce # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 9supercell:  lattice:  - [    10.795633240000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.795633240000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.795633240000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 14    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 15    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 16    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 17    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 22    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 23    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 24    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 25    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 26    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 27    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 28    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 29    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 30    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 31    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 32    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 33    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 35    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 36    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 37    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 38    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 39    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 40    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 41    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 42    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 43    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 44    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 45    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 46    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 47    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 48    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 49    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 51    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 52    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 53    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 54    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 55    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 56    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 57    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 58    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 59    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 60    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 61    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 62    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 63    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: Ce # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 73    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 74    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 75    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 76    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 78    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 79    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 80    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 81    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 82    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 83    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 84    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 85    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 86    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 87    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 88    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 89    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 90    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 91    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 92    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 93    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 94    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 95    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65  - symbol: Ce # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 140.116000    reduced_to: 65born_effective_charge:- # 1 (O)  - [ -2.883295320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.883295320000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -2.883295320000000 ]- # 2 (O)  - [ -2.883295320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.883295320000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -2.883295320000000 ]- # 3 (Ce)  - [  5.766590640000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  5.766590640000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.766590640000000 ]dielectric_constant:  - [  7.826484760000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  7.826484760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  7.826484760000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0868103200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0045462200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005623400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010464600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005623400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010464600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0008379300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004559300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005649500000000,  0.0008512900000000,  0.0008512900000000 ]  - [   0.0032355100000000, -0.0034416600000000, -0.0034416600000000 ]  - [   0.0032332600000000, -0.0034310600000000,  0.0034310600000000 ]  - [  -0.0005856500000000,  0.0008488800000000, -0.0008488800000000 ]  - [   0.0032332600000000,  0.0034310600000000, -0.0034310600000000 ]  - [  -0.0005856500000000, -0.0008488800000000,  0.0008488800000000 ]  - [  -0.0005649500000000, -0.0008512900000000, -0.0008512900000000 ]  - [   0.0032355100000000,  0.0034416600000000,  0.0034416600000000 ]  - [  -0.0035389400000000, -0.0021956800000000, -0.0021956800000000 ]  - [   0.0013535700000000,  0.0004039400000000,  0.0004039400000000 ]  - [  -0.0035158300000000, -0.0021817200000000,  0.0021817200000000 ]  - [   0.0013670100000000,  0.0003976800000000, -0.0003976800000000 ]  - [  -0.0035158300000000,  0.0021817200000000, -0.0021817200000000 ]  - [   0.0013670100000000, -0.0003976800000000,  0.0003976800000000 ]  - [  -0.0035389400000000,  0.0021956800000000,  0.0021956800000000 ]  - [   0.0013535700000000, -0.0004039400000000, -0.0004039400000000 ]  - [   0.0257371300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0262855500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002623500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002714300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002623500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002714300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002061300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001755400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0020136500000000,  0.0021861000000000,  0.0037845600000000 ]  - [   0.0020171500000000,  0.0021925700000000, -0.0038118700000000 ]  - [  -0.0000186400000000, -0.0004064200000000,  0.0000781700000000 ]  - [  -0.0000385800000000, -0.0003965600000000, -0.0000676100000000 ]  - [   0.0020136500000000, -0.0021861000000000, -0.0037845600000000 ]  - [   0.0020171500000000, -0.0021925700000000,  0.0038118700000000 ]  - [  -0.0000186400000000,  0.0004064200000000, -0.0000781700000000 ]  - [  -0.0000385800000000,  0.0003965600000000,  0.0000676100000000 ]  - [  -0.0085465700000000,  0.0000562100000000,  0.0030818600000000 ]  - [   0.0022315300000000, -0.0000071900000000, -0.0006299700000000 ]  - [  -0.0085465700000000, -0.0000562100000000, -0.0030818600000000 ]  - [   0.0022315300000000,  0.0000071900000000,  0.0006299700000000 ]  - [  -0.0006647300000000,  0.0000010300000000, -0.0006318800000000 ]  - [   0.0007440600000000,  0.0000118700000000, -0.0002487600000000 ]  - [  -0.0006647300000000, -0.0000010300000000,  0.0006318800000000 ]  - [   0.0007440600000000, -0.0000118700000000,  0.0002487600000000 ]  - [   0.0020136500000000,  0.0037845600000000,  0.0021861000000000 ]  - [   0.0020171500000000, -0.0038118700000000,  0.0021925700000000 ]  - [   0.0020136500000000, -0.0037845600000000, -0.0021861000000000 ]  - [   0.0020171500000000,  0.0038118700000000, -0.0021925700000000 ]  - [  -0.0000186400000000,  0.0000781700000000, -0.0004064200000000 ]  - [  -0.0000385800000000, -0.0000676100000000, -0.0003965600000000 ]  - [  -0.0000186400000000, -0.0000781700000000,  0.0004064200000000 ]  - [  -0.0000385800000000,  0.0000676100000000,  0.0003965600000000 ]  - [  -0.0085465700000000,  0.0030818600000000,  0.0000562100000000 ]  - [   0.0022315300000000, -0.0006299700000000, -0.0000071900000000 ]  - [  -0.0006647300000000, -0.0006318800000000,  0.0000010300000000 ]  - [   0.0007440600000000, -0.0002487600000000,  0.0000118700000000 ]  - [  -0.0085465700000000, -0.0030818600000000, -0.0000562100000000 ]  - [   0.0022315300000000,  0.0006299700000000,  0.0000071900000000 ]  - [  -0.0006647300000000,  0.0006318800000000, -0.0000010300000000 ]  - [   0.0007440600000000,  0.0002487600000000, -0.0000118700000000 ]  - [  -0.0010084300000000, -0.0001514800000000, -0.0001514800000000 ]  - [   0.0008857400000000,  0.0012913300000000,  0.0012913300000000 ]  - [  -0.0024535000000000,  0.0003280400000000, -0.0013844300000000 ]  - [   0.0025866600000000, -0.0014029700000000,  0.0006130200000000 ]  - [  -0.0024535000000000, -0.0013844300000000,  0.0003280400000000 ]  - [   0.0025866600000000,  0.0006130200000000, -0.0014029700000000 ]  - [  -0.0060772900000000,  0.0032023800000000,  0.0032023800000000 ]  - [   0.0155437200000000, -0.0022308000000000, -0.0022308000000000 ]  - [  -0.0060772900000000, -0.0032023800000000, -0.0032023800000000 ]  - [   0.0155437200000000,  0.0022308000000000,  0.0022308000000000 ]  - [  -0.0024535000000000,  0.0013844300000000, -0.0003280400000000 ]  - [   0.0025866600000000, -0.0006130200000000,  0.0014029700000000 ]  - [  -0.0024535000000000, -0.0003280400000000,  0.0013844300000000 ]  - [   0.0025866600000000,  0.0014029700000000, -0.0006130200000000 ]  - [  -0.0010084300000000,  0.0001514800000000,  0.0001514800000000 ]  - [   0.0008857400000000, -0.0012913300000000, -0.0012913300000000 ]  - [   0.0025685200000000, -0.0006106900000000, -0.0014085000000000 ]  - [  -0.0024547700000000,  0.0014040900000000,  0.0003411600000000 ]  - [   0.0150914300000000,  0.0026721300000000, -0.0026721300000000 ]  - [  -0.0060902900000000, -0.0032446700000000,  0.0032446700000000 ]  - [   0.0008851500000000, -0.0012832000000000,  0.0012832000000000 ]  - [  -0.0010130600000000,  0.0001608200000000, -0.0001608200000000 ]  - [   0.0025685200000000,  0.0014085000000000,  0.0006106900000000 ]  - [  -0.0024547700000000, -0.0003411600000000, -0.0014040900000000 ]  - [   0.0025685200000000, -0.0014085000000000, -0.0006106900000000 ]  - [  -0.0024547700000000,  0.0003411600000000,  0.0014040900000000 ]  - [   0.0008851500000000,  0.0012832000000000, -0.0012832000000000 ]  - [  -0.0010130600000000, -0.0001608200000000,  0.0001608200000000 ]  - [   0.0150914300000000, -0.0026721300000000,  0.0026721300000000 ]  - [  -0.0060902900000000,  0.0032446700000000, -0.0032446700000000 ]  - [   0.0025685200000000,  0.0006106900000000,  0.0014085000000000 ]  - [  -0.0024547700000000, -0.0014040900000000, -0.0003411600000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010050800000000, -0.0001576000000000, -0.0001576000000000 ]  - [   0.0008781100000000,  0.0003366300000000,  0.0003366300000000 ]  - [  -0.0024490100000000,  0.0012880200000000, -0.0013976000000000 ]  - [   0.0025699000000000, -0.0014028200000000,  0.0032208700000000 ]  - [  -0.0024490100000000, -0.0013976000000000,  0.0012880200000000 ]  - [   0.0025699000000000,  0.0032208700000000, -0.0014028200000000 ]  - [  -0.0060925300000000,  0.0006207100000000,  0.0006207100000000 ]  - [   0.0150888700000000, -0.0026441200000000, -0.0026441200000000 ]  - [   0.0155432400000000, -0.0022594200000000, -0.0022594200000000 ]  - [  -0.0060747400000000,  0.0006051800000000,  0.0006051800000000 ]  - [   0.0025787300000000,  0.0032270800000000, -0.0014130100000000 ]  - [  -0.0024533900000000, -0.0013918600000000,  0.0012862700000000 ]  - [   0.0025787300000000, -0.0014130100000000,  0.0032270800000000 ]  - [  -0.0024533900000000,  0.0012862700000000, -0.0013918600000000 ]  - [   0.0008837800000000,  0.0003357700000000,  0.0003357700000000 ]  - [  -0.0010108000000000, -0.0001559300000000, -0.0001559300000000 ]  - [  -0.0060925300000000, -0.0006207100000000, -0.0006207100000000 ]  - [   0.0150888700000000,  0.0026441200000000,  0.0026441200000000 ]  - [  -0.0024490100000000,  0.0013976000000000, -0.0012880200000000 ]  - [   0.0025699000000000, -0.0032208700000000,  0.0014028200000000 ]  - [  -0.0024490100000000, -0.0012880200000000,  0.0013976000000000 ]  - [   0.0025699000000000,  0.0014028200000000, -0.0032208700000000 ]  - [  -0.0010050800000000,  0.0001576000000000,  0.0001576000000000 ]  - [   0.0008781100000000, -0.0003366300000000, -0.0003366300000000 ]  - [   0.0008837800000000, -0.0003357700000000, -0.0003357700000000 ]  - [  -0.0010108000000000,  0.0001559300000000,  0.0001559300000000 ]  - [   0.0025787300000000,  0.0014130100000000, -0.0032270800000000 ]  - [  -0.0024533900000000, -0.0012862700000000,  0.0013918600000000 ]  - [   0.0025787300000000, -0.0032270800000000,  0.0014130100000000 ]  - [  -0.0024533900000000,  0.0013918600000000, -0.0012862700000000 ]  - [   0.0155432400000000,  0.0022594200000000,  0.0022594200000000 ]  - [  -0.0060747400000000, -0.0006051800000000, -0.0006051800000000 ]  - [   0.0025787300000000, -0.0032270800000000, -0.0014130100000000 ]  - [  -0.0024533900000000,  0.0013918600000000,  0.0012862700000000 ]  - [   0.0155432400000000,  0.0022594200000000, -0.0022594200000000 ]  - [  -0.0060747400000000, -0.0006051800000000,  0.0006051800000000 ]  - [   0.0008837800000000, -0.0003357700000000,  0.0003357700000000 ]  - [  -0.0010108000000000,  0.0001559300000000, -0.0001559300000000 ]  - [   0.0025787300000000,  0.0014130100000000,  0.0032270800000000 ]  - [  -0.0024533900000000, -0.0012862700000000, -0.0013918600000000 ]  - [  -0.0024490100000000, -0.0012880200000000, -0.0013976000000000 ]  - [   0.0025699000000000,  0.0014028200000000,  0.0032208700000000 ]  - [  -0.0010050800000000,  0.0001576000000000, -0.0001576000000000 ]  - [   0.0008781100000000, -0.0003366300000000,  0.0003366300000000 ]  - [  -0.0060925300000000, -0.0006207100000000,  0.0006207100000000 ]  - [   0.0150888700000000,  0.0026441200000000, -0.0026441200000000 ]  - [  -0.0024490100000000,  0.0013976000000000,  0.0012880200000000 ]  - [   0.0025699000000000, -0.0032208700000000, -0.0014028200000000 ]  - [   0.0025787300000000, -0.0014130100000000, -0.0032270800000000 ]  - [  -0.0024533900000000,  0.0012862700000000,  0.0013918600000000 ]  - [   0.0008837800000000,  0.0003357700000000, -0.0003357700000000 ]  - [  -0.0010108000000000, -0.0001559300000000,  0.0001559300000000 ]  - [   0.0155432400000000, -0.0022594200000000,  0.0022594200000000 ]  - [  -0.0060747400000000,  0.0006051800000000, -0.0006051800000000 ]  - [   0.0025787300000000,  0.0032270800000000,  0.0014130100000000 ]  - [  -0.0024533900000000, -0.0013918600000000, -0.0012862700000000 ]  - [  -0.0024490100000000, -0.0013976000000000, -0.0012880200000000 ]  - [   0.0025699000000000,  0.0032208700000000,  0.0014028200000000 ]  - [  -0.0060925300000000,  0.0006207100000000, -0.0006207100000000 ]  - [   0.0150888700000000, -0.0026441200000000,  0.0026441200000000 ]  - [  -0.0010050800000000, -0.0001576000000000,  0.0001576000000000 ]  - [   0.0008781100000000,  0.0003366300000000, -0.0003366300000000 ]  - [  -0.0024490100000000,  0.0012880200000000,  0.0013976000000000 ]  - [   0.0025699000000000, -0.0014028200000000, -0.0032208700000000 ]  - [  -0.1584357800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0126146000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0076379400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0050918300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0076379400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0050918300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0032121000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0025048300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0205286800000000, -0.0000089800000000, -0.0000089800000000 ]  - [   0.0061604000000000,  0.0000096100000000,  0.0000096100000000 ]  - [  -0.0205286800000000,  0.0000089800000000, -0.0000089800000000 ]  - [   0.0061604000000000, -0.0000096100000000,  0.0000096100000000 ]  - [  -0.0205286800000000, -0.0000089800000000,  0.0000089800000000 ]  - [   0.0061604000000000,  0.0000096100000000, -0.0000096100000000 ]  - [  -0.0205286800000000,  0.0000089800000000,  0.0000089800000000 ]  - [   0.0061604000000000, -0.0000096100000000, -0.0000096100000000 ]  - [   0.0159990400000000,  0.0000000000000000,  0.0194755900000000 ]  - [   0.0158967100000000,  0.0000000000000000, -0.0192540300000000 ]  - [   0.0008319500000000,  0.0000000000000000,  0.0017542600000000 ]  - [   0.0008424400000000,  0.0000000000000000, -0.0017466300000000 ]  - [   0.0159990400000000,  0.0000000000000000, -0.0194755900000000 ]  - [   0.0158967100000000,  0.0000000000000000,  0.0192540300000000 ]  - [   0.0008319500000000,  0.0000000000000000, -0.0017542600000000 ]  - [   0.0008424400000000,  0.0000000000000000,  0.0017466300000000 ]  - [   0.0159990400000000,  0.0194755900000000,  0.0000000000000000 ]  - [   0.0158967100000000, -0.0192540300000000,  0.0000000000000000 ]  - [   0.0159990400000000, -0.0194755900000000,  0.0000000000000000 ]  - [   0.0158967100000000,  0.0192540300000000,  0.0000000000000000 ]  - [   0.0008319500000000,  0.0017542600000000,  0.0000000000000000 ]  - [   0.0008424400000000, -0.0017466300000000,  0.0000000000000000 ]  - [   0.0008319500000000, -0.0017542600000000,  0.0000000000000000 ]  - [   0.0008424400000000,  0.0017466300000000,  0.0000000000000000 ]