# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7b8f2499-d490-4d55-b0b4-e1a04c391aa9/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 Li6PS5I / F-43m (216) / materials id 985582](https://mdr.nims.go.jp/datasets/e48f6276-53a6-42f4-810c-749d6bae89a6)

## 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: "F-43m"  number: 216  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,     5.099518810000000,     5.099518810000000 ] # a  - [     5.099518810000000,     0.000000000000000,     5.099518810000000 ] # b  - [     5.099518810000000,     5.099518810000000,     0.000000000000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.523654750000000,  0.523654750000000,  0.976345250000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.976345250000000,  0.976345250000000,  0.523654750000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.523654750000000,  0.976345250000000,  0.976345250000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.976345250000000,  0.523654750000000,  0.523654750000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.976345250000000,  0.523654750000000,  0.976345250000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.523654750000000,  0.976345250000000,  0.523654750000000 ]    mass: 6.941000  - symbol: P  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 30.973762  - symbol: S  # 8    coordinates: [  0.384103990000000,  0.384103990000000,  0.384103990000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.847688030000000,  0.384103990000000,  0.384103990000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.384103990000000,  0.384103990000000,  0.847688030000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.384103990000000,  0.847688030000000,  0.384103990000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000  - symbol: I  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [    -0.098048466655229,     0.098048466655229,     0.098048466655229 ] # a*  - [     0.098048466655229,    -0.098048466655229,     0.098048466655229 ] # b*  - [     0.098048466655229,     0.098048466655229,    -0.098048466655229 ] # c*unit_cell:  lattice:  - [    10.199037620000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.199037620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.199037620000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.523654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.976345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.476345250000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.023654750000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.250000000000000,  0.476345250000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.250000000000000,  0.023654750000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.250000000000000,  0.750000000000000,  0.023654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.476345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 9    coordinates: [  0.476345250000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 10    coordinates: [  0.023654750000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 11    coordinates: [  0.250000000000000,  0.976345250000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 12    coordinates: [  0.250000000000000,  0.523654750000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 13    coordinates: [  0.750000000000000,  0.250000000000000,  0.023654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.750000000000000,  0.250000000000000,  0.476345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 15    coordinates: [  0.976345250000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 16    coordinates: [  0.523654750000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 17    coordinates: [  0.750000000000000,  0.476345250000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 18    coordinates: [  0.750000000000000,  0.023654750000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 19    coordinates: [  0.750000000000000,  0.750000000000000,  0.523654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 20    coordinates: [  0.750000000000000,  0.750000000000000,  0.976345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 21    coordinates: [  0.976345250000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 22    coordinates: [  0.523654750000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 23    coordinates: [  0.750000000000000,  0.976345250000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 24    coordinates: [  0.750000000000000,  0.523654750000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: P  # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 28    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: S  # 29    coordinates: [  0.884103990000000,  0.384103990000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.384103990000000,  0.115896010000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.615896010000000,  0.115896010000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.115896010000000,  0.384103990000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.884103990000000,  0.884103990000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 35    coordinates: [  0.384103990000000,  0.615896010000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 36    coordinates: [  0.615896010000000,  0.615896010000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 37    coordinates: [  0.115896010000000,  0.884103990000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 38    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 39    coordinates: [  0.384103990000000,  0.384103990000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 40    coordinates: [  0.884103990000000,  0.115896010000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 41    coordinates: [  0.115896010000000,  0.115896010000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 42    coordinates: [  0.615896010000000,  0.384103990000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 43    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 44    coordinates: [  0.384103990000000,  0.884103990000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 45    coordinates: [  0.884103990000000,  0.615896010000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 46    coordinates: [  0.115896010000000,  0.615896010000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 47    coordinates: [  0.615896010000000,  0.884103990000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: I  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 49supercell:  lattice:  - [    10.199037620000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.199037620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.199037620000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.523654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.976345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.476345250000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.023654750000000,  0.250000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.250000000000000,  0.476345250000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.250000000000000,  0.023654750000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.250000000000000,  0.750000000000000,  0.023654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.476345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 9    coordinates: [  0.476345250000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 10    coordinates: [  0.023654750000000,  0.750000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 11    coordinates: [  0.250000000000000,  0.976345250000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 12    coordinates: [  0.250000000000000,  0.523654750000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 13    coordinates: [  0.750000000000000,  0.250000000000000,  0.023654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 14    coordinates: [  0.750000000000000,  0.250000000000000,  0.476345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 15    coordinates: [  0.976345250000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 16    coordinates: [  0.523654750000000,  0.250000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 17    coordinates: [  0.750000000000000,  0.476345250000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 18    coordinates: [  0.750000000000000,  0.023654750000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 19    coordinates: [  0.750000000000000,  0.750000000000000,  0.523654750000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 20    coordinates: [  0.750000000000000,  0.750000000000000,  0.976345250000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 21    coordinates: [  0.976345250000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 22    coordinates: [  0.523654750000000,  0.750000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 23    coordinates: [  0.750000000000000,  0.976345250000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 24    coordinates: [  0.750000000000000,  0.523654750000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 6  - symbol: P  # 25    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 28    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 25  - symbol: S  # 29    coordinates: [  0.884103990000000,  0.384103990000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.384103990000000,  0.115896010000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.615896010000000,  0.115896010000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.115896010000000,  0.384103990000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.884103990000000,  0.884103990000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 35    coordinates: [  0.384103990000000,  0.615896010000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 36    coordinates: [  0.615896010000000,  0.615896010000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 37    coordinates: [  0.115896010000000,  0.884103990000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 38    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 39    coordinates: [  0.384103990000000,  0.384103990000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 40    coordinates: [  0.884103990000000,  0.115896010000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 41    coordinates: [  0.115896010000000,  0.115896010000000,  0.384103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 42    coordinates: [  0.615896010000000,  0.384103990000000,  0.615896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 43    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 44    coordinates: [  0.384103990000000,  0.884103990000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 45    coordinates: [  0.884103990000000,  0.615896010000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 46    coordinates: [  0.115896010000000,  0.615896010000000,  0.884103990000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 47    coordinates: [  0.615896010000000,  0.884103990000000,  0.115896010000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 33  - symbol: I  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 49displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0158989500000000, -0.0179753600000000,  0.0002422400000000 ]  - [   0.0002366900000000,  0.0000001300000000, -0.0000003800000000 ]  - [   0.0006082700000000, -0.0000010200000000,  0.0023656800000000 ]  - [   0.0006151800000000, -0.0000007500000000, -0.0023346300000000 ]  - [  -0.0007245000000000, -0.0001138000000000, -0.0000005800000000 ]  - [  -0.0007247100000000, -0.0000921800000000, -0.0000050800000000 ]  - [  -0.0001418900000000, -0.0000099400000000,  0.0000012500000000 ]  - [  -0.0008933600000000,  0.0000523400000000,  0.0000020200000000 ]  - [  -0.0001964500000000, -0.0000139400000000, -0.0004074100000000 ]  - [  -0.0001932200000000, -0.0000116000000000,  0.0004051300000000 ]  - [  -0.0010405600000000,  0.0002548200000000,  0.0002654900000000 ]  - [  -0.0010385500000000,  0.0002563400000000, -0.0002658700000000 ]  - [   0.0001261100000000, -0.0000100000000000,  0.0000014500000000 ]  - [   0.0010457500000000, -0.0000523000000000, -0.0000069600000000 ]  - [   0.0006895400000000, -0.0002662000000000,  0.0008947300000000 ]  - [   0.0006939300000000, -0.0002621700000000, -0.0008986700000000 ]  - [   0.0005408700000000, -0.0000408600000000,  0.0000582500000000 ]  - [   0.0005429300000000, -0.0000348900000000, -0.0000596200000000 ]  - [   0.0010879200000000, -0.0003822900000000, -0.0000021300000000 ]  - [   0.0001345300000000, -0.0000001300000000,  0.0000018100000000 ]  - [   0.0002427100000000, -0.0000566500000000, -0.0004052500000000 ]  - [   0.0002467200000000, -0.0000579300000000,  0.0004071300000000 ]  - [   0.0005418000000000,  0.0001951600000000,  0.0000158200000000 ]  - [   0.0005419200000000,  0.0002001800000000, -0.0000130100000000 ]  - [   0.0000916500000000,  0.0001051800000000,  0.0000497900000000 ]  - [   0.0033696200000000,  0.0033198900000000, -0.0018477400000000 ]  - [   0.0033568600000000,  0.0033289100000000,  0.0018033700000000 ]  - [   0.0000874000000000,  0.0001058900000000, -0.0000502600000000 ]  - [  -0.0000065300000000, -0.0000629700000000,  0.0001232600000000 ]  - [  -0.0000510600000000, -0.0000129700000000,  0.0002037300000000 ]  - [  -0.0000061100000000, -0.0000603200000000, -0.0001298100000000 ]  - [  -0.0000519300000000, -0.0000110500000000, -0.0001980800000000 ]  - [   0.0024306600000000,  0.0003726200000000, -0.0000682200000000 ]  - [  -0.0011134200000000, -0.0005210900000000, -0.0001648100000000 ]  - [   0.0002263600000000, -0.0007224000000000, -0.0007215600000000 ]  - [  -0.0010954200000000, -0.0005044800000000,  0.0001710500000000 ]  - [   0.0002224900000000, -0.0007244000000000,  0.0007272000000000 ]  - [   0.0008090400000000, -0.0003950800000000, -0.0000023800000000 ]  - [   0.0056910800000000,  0.0057946800000000, -0.0072192400000000 ]  - [  -0.0011970400000000, -0.0004804000000000,  0.0005942800000000 ]  - [   0.0055965200000000,  0.0056031000000000,  0.0070564700000000 ]  - [  -0.0011992900000000, -0.0004969500000000, -0.0005940400000000 ]  - [  -0.0009543800000000,  0.0000591500000000,  0.0000048400000000 ]  - [   0.0000047400000000,  0.0000318100000000, -0.0000663900000000 ]  - [  -0.0000255800000000,  0.0000302400000000, -0.0001326500000000 ]  - [   0.0000063800000000,  0.0000366100000000,  0.0000652500000000 ]  - [  -0.0000250900000000,  0.0000302100000000,  0.0001384500000000 ]  - [  -0.0007748100000000,  0.0000768700000000, -0.0000043700000000 ]  - [   0.0000054200000000,  0.0000114700000000, -0.0002094200000000 ]  - [  -0.0012253200000000,  0.0017408100000000, -0.0002020900000000 ]  - [  -0.0012228000000000,  0.0017548300000000,  0.0002031000000000 ]  - [   0.0000078800000000,  0.0000128600000000,  0.0002088700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0531718700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017834100000000 ]  - [   0.0027799000000000,  0.0001027400000000,  0.0006153300000000 ]  - [  -0.0027799000000000, -0.0001027400000000,  0.0006153300000000 ]  - [   0.0001027400000000,  0.0027799000000000,  0.0006153300000000 ]  - [  -0.0001027400000000, -0.0027799000000000,  0.0006153300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002126100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000569800000000 ]  - [  -0.0000023400000000, -0.0001978100000000,  0.0002435300000000 ]  - [   0.0000023400000000,  0.0001978100000000,  0.0002435300000000 ]  - [  -0.0002575000000000,  0.0003944200000000,  0.0006894600000000 ]  - [   0.0002575000000000, -0.0003944200000000,  0.0006894600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002126100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000569800000000 ]  - [   0.0003944200000000, -0.0002575000000000,  0.0006894600000000 ]  - [  -0.0003944200000000,  0.0002575000000000,  0.0006894600000000 ]  - [  -0.0001978100000000, -0.0000023400000000,  0.0002435300000000 ]  - [   0.0001978100000000,  0.0000023400000000,  0.0002435300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004598800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000788800000000 ]  - [  -0.0000035500000000,  0.0000382800000000, -0.0001963000000000 ]  - [   0.0000035500000000, -0.0000382800000000, -0.0001963000000000 ]  - [   0.0000382800000000, -0.0000035500000000, -0.0001963000000000 ]  - [  -0.0000382800000000,  0.0000035500000000, -0.0001963000000000 ]  - [   0.0000417000000000, -0.0000417000000000,  0.0006325600000000 ]  - [   0.0019000700000000,  0.0019000700000000, -0.0053264400000000 ]  - [  -0.0019000700000000, -0.0019000700000000, -0.0053264400000000 ]  - [  -0.0000417000000000,  0.0000417000000000,  0.0006325600000000 ]  - [   0.0002643500000000, -0.0001857000000000, -0.0003092300000000 ]  - [   0.0001261800000000, -0.0001261800000000, -0.0006377000000000 ]  - [  -0.0002643500000000,  0.0001857000000000, -0.0003092300000000 ]  - [  -0.0001261800000000,  0.0001261800000000, -0.0006377000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0291532500000000 ]  - [  -0.0013464500000000, -0.0013464500000000,  0.0003525700000000 ]  - [  -0.0003670800000000,  0.0002085200000000,  0.0011238500000000 ]  - [   0.0013464500000000,  0.0013464500000000,  0.0003525700000000 ]  - [   0.0003670800000000, -0.0002085200000000,  0.0011238500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003639700000000 ]  - [  -0.0061230600000000, -0.0061230600000000,  0.0117858300000000 ]  - [  -0.0002085200000000,  0.0003670800000000,  0.0011238500000000 ]  - [   0.0061230600000000,  0.0061230600000000,  0.0117858300000000 ]  - [   0.0002085200000000, -0.0003670800000000,  0.0011238500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003639700000000 ]  - [  -0.0001857000000000,  0.0002643500000000, -0.0003092300000000 ]  - [   0.0000832500000000, -0.0000832500000000, -0.0001787700000000 ]  - [   0.0001857000000000, -0.0002643500000000, -0.0003092300000000 ]  - [  -0.0000832500000000,  0.0000832500000000, -0.0001787700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003610800000000 ]  - [   0.0003349500000000,  0.0003349500000000, -0.0004948000000000 ]  - [   0.0001323500000000, -0.0001323500000000,  0.0009482500000000 ]  - [  -0.0001323500000000,  0.0001323500000000,  0.0009482500000000 ]  - [  -0.0003349500000000, -0.0003349500000000, -0.0004948000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0522834600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017823600000000 ]  - [  -0.0027705900000000, -0.0001028500000000, -0.0006158900000000 ]  - [   0.0027705900000000,  0.0001028500000000, -0.0006158900000000 ]  - [  -0.0001028500000000, -0.0027705900000000, -0.0006158900000000 ]  - [   0.0001028500000000,  0.0027705900000000, -0.0006158900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002188100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000553300000000 ]  - [   0.0000009200000000,  0.0001971500000000, -0.0002481600000000 ]  - [  -0.0000009200000000, -0.0001971500000000, -0.0002481600000000 ]  - [   0.0002541800000000, -0.0003986900000000, -0.0006956400000000 ]  - [  -0.0002541800000000,  0.0003986900000000, -0.0006956400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002188100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000553300000000 ]  - [  -0.0003986900000000,  0.0002541800000000, -0.0006956400000000 ]  - [   0.0003986900000000, -0.0002541800000000, -0.0006956400000000 ]  - [   0.0001971500000000,  0.0000009200000000, -0.0002481600000000 ]  - [  -0.0001971500000000, -0.0000009200000000, -0.0002481600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004493600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000726500000000 ]  - [   0.0000001700000000, -0.0000384200000000,  0.0001897400000000 ]  - [  -0.0000001700000000,  0.0000384200000000,  0.0001897400000000 ]  - [  -0.0000384200000000,  0.0000001700000000,  0.0001897400000000 ]  - [   0.0000384200000000, -0.0000001700000000,  0.0001897400000000 ]  - [  -0.0000444000000000,  0.0000444000000000, -0.0006365300000000 ]  - [  -0.0018891700000000, -0.0018891700000000,  0.0053116800000000 ]  - [   0.0018891700000000,  0.0018891700000000,  0.0053116800000000 ]  - [   0.0000444000000000, -0.0000444000000000, -0.0006365300000000 ]  - [  -0.0002670900000000,  0.0001801800000000,  0.0003031800000000 ]  - [  -0.0001312000000000,  0.0001312000000000,  0.0006355400000000 ]  - [   0.0002670900000000, -0.0001801800000000,  0.0003031800000000 ]  - [   0.0001312000000000, -0.0001312000000000,  0.0006355400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0277556400000000 ]  - [   0.0013419000000000,  0.0013419000000000, -0.0003584800000000 ]  - [   0.0003639300000000, -0.0002087800000000, -0.0011257800000000 ]  - [  -0.0013419000000000, -0.0013419000000000, -0.0003584800000000 ]  - [  -0.0003639300000000,  0.0002087800000000, -0.0011257800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003487900000000 ]  - [   0.0063250400000000,  0.0063250400000000, -0.0119113400000000 ]  - [   0.0002087800000000, -0.0003639300000000, -0.0011257800000000 ]  - [  -0.0063250400000000, -0.0063250400000000, -0.0119113400000000 ]  - [  -0.0002087800000000,  0.0003639300000000, -0.0011257800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003487900000000 ]  - [   0.0001801800000000, -0.0002670900000000,  0.0003031800000000 ]  - [  -0.0000865200000000,  0.0000865200000000,  0.0001715700000000 ]  - [  -0.0001801800000000,  0.0002670900000000,  0.0003031800000000 ]  - [   0.0000865200000000, -0.0000865200000000,  0.0001715700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003588400000000 ]  - [  -0.0003342500000000, -0.0003342500000000,  0.0004857700000000 ]  - [  -0.0001331300000000,  0.0001331300000000, -0.0009527400000000 ]  - [   0.0001331300000000, -0.0001331300000000, -0.0009527400000000 ]  - [   0.0003342500000000,  0.0003342500000000,  0.0004857700000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000899500000000,  0.0001046800000000,  0.0000383700000000 ]  - [   0.0033703300000000, -0.0033337500000000, -0.0018894700000000 ]  - [   0.0006353700000000,  0.0000494700000000,  0.0000494700000000 ]  - [  -0.0053113200000000,  0.0018166400000000,  0.0018166400000000 ]  - [   0.0033703300000000, -0.0018894700000000, -0.0033337500000000 ]  - [   0.0000899500000000,  0.0000383700000000,  0.0001046800000000 ]  - [   0.0033703300000000,  0.0033337500000000,  0.0018894700000000 ]  - [   0.0000899500000000, -0.0001046800000000, -0.0000383700000000 ]  - [   0.0006353700000000, -0.0000494700000000, -0.0000494700000000 ]  - [  -0.0053113200000000, -0.0018166400000000, -0.0018166400000000 ]  - [   0.0000899500000000, -0.0000383700000000, -0.0001046800000000 ]  - [   0.0033703300000000,  0.0018894700000000,  0.0033337500000000 ]  - [   0.0033569800000000,  0.0033134500000000, -0.0018909100000000 ]  - [   0.0000892600000000, -0.0001047600000000,  0.0000453100000000 ]  - [  -0.0053212800000000, -0.0018345600000000,  0.0018345600000000 ]  - [   0.0006313000000000, -0.0000503900000000,  0.0000503900000000 ]  - [   0.0033569800000000,  0.0018909100000000, -0.0033134500000000 ]  - [   0.0000892600000000, -0.0000453100000000,  0.0001047600000000 ]  - [   0.0000892600000000,  0.0001047600000000, -0.0000453100000000 ]  - [   0.0033569800000000, -0.0033134500000000,  0.0018909100000000 ]  - [  -0.0053212800000000,  0.0018345600000000, -0.0018345600000000 ]  - [   0.0006313000000000,  0.0000503900000000, -0.0000503900000000 ]  - [   0.0000892600000000,  0.0000453100000000, -0.0001047600000000 ]  - [   0.0033569800000000, -0.0018909100000000,  0.0033134500000000 ]  - [  -0.2319725900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0074720700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023285400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023285400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0554908300000000,  0.0342315600000000,  0.0342315600000000 ]  - [  -0.0011351900000000,  0.0006893800000000,  0.0005256800000000 ]  - [  -0.0011240500000000, -0.0006782300000000,  0.0005213300000000 ]  - [   0.0564492900000000, -0.0355867300000000,  0.0355867300000000 ]  - [   0.0004128900000000,  0.0014217100000000,  0.0014217100000000 ]  - [   0.0022407000000000,  0.0006077500000000,  0.0006077500000000 ]  - [  -0.0011351900000000,  0.0005256800000000,  0.0006893800000000 ]  - [  -0.0011240500000000, -0.0005213300000000,  0.0006782300000000 ]  - [   0.0022458300000000, -0.0006249900000000,  0.0006249900000000 ]  - [   0.0004128900000000, -0.0014217100000000, -0.0014217100000000 ]  - [  -0.0011351900000000, -0.0005256800000000, -0.0006893800000000 ]  - [   0.0022407000000000, -0.0006077500000000, -0.0006077500000000 ]  - [   0.0022458300000000,  0.0006249900000000, -0.0006249900000000 ]  - [  -0.0011240500000000,  0.0005213300000000, -0.0006782300000000 ]  - [   0.0004219600000000, -0.0014125200000000,  0.0014125200000000 ]  - [  -0.0011351900000000, -0.0006893800000000, -0.0005256800000000 ]  - [   0.0554908300000000, -0.0342315600000000, -0.0342315600000000 ]  - [   0.0564492900000000,  0.0355867300000000, -0.0355867300000000 ]  - [  -0.0011240500000000,  0.0006782300000000, -0.0005213300000000 ]  - [   0.0004219600000000,  0.0014125200000000, -0.0014125200000000 ]  - [   0.0024479700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0024479700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0006360600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0038525400000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   29  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000040400000000,  0.0000320200000000,  0.0002626000000000 ]  - [  -0.0011938800000000,  0.0007251100000000,  0.0002126900000000 ]  - [  -0.0006341200000000, -0.0002013500000000, -0.0002013500000000 ]  - [   0.0118938500000000, -0.0072451600000000, -0.0072451600000000 ]  - [  -0.0011938800000000,  0.0002126900000000,  0.0007251100000000 ]  - [  -0.0000040400000000,  0.0002626000000000,  0.0000320200000000 ]  - [  -0.0011002200000000, -0.0005143500000000, -0.0013487900000000 ]  - [  -0.0000256400000000, -0.0000282400000000, -0.0000839900000000 ]  - [  -0.0001770000000000,  0.0001345000000000,  0.0001345000000000 ]  - [   0.0003630800000000, -0.0001664100000000, -0.0001664100000000 ]  - [  -0.0000256400000000, -0.0000839900000000, -0.0000282400000000 ]  - [  -0.0011002200000000, -0.0013487900000000, -0.0005143500000000 ]  - [   0.0056054500000000,  0.0055992800000000, -0.0061412800000000 ]  - [  -0.0000509800000000,  0.0000140600000000, -0.0001259600000000 ]  - [   0.0011265300000000,  0.0007252100000000, -0.0005920900000000 ]  - [  -0.0003077000000000, -0.0000658700000000,  0.0001245800000000 ]  - [   0.0002222300000000,  0.0003651300000000,  0.0004883800000000 ]  - [   0.0000058400000000, -0.0001841800000000, -0.0000616400000000 ]  - [   0.0000058400000000, -0.0000616400000000, -0.0001841800000000 ]  - [   0.0002222300000000,  0.0004883800000000,  0.0003651300000000 ]  - [   0.0011265300000000, -0.0005920900000000,  0.0007252100000000 ]  - [  -0.0003077000000000,  0.0001245800000000, -0.0000658700000000 ]  - [  -0.0000509800000000, -0.0001259600000000,  0.0000140600000000 ]  - [   0.0056054500000000, -0.0061412800000000,  0.0055992800000000 ]  - [   0.0564118300000000,  0.0355891700000000,  0.0355891700000000 ]  - [   0.0022451100000000, -0.0005233400000000, -0.0005233400000000 ]  - [  -0.0011308600000000,  0.0006130400000000, -0.0006825500000000 ]  - [  -0.0011308600000000, -0.0006825500000000,  0.0006130400000000 ]  - [  -0.0927477000000000, -0.0378451000000000, -0.0378451000000000 ]  - [   0.0004496700000000, -0.0000114500000000, -0.0002676400000000 ]  - [   0.0008768100000000,  0.0008269000000000, -0.0006761400000000 ]  - [   0.0078986500000000,  0.0024438700000000,  0.0110121500000000 ]  - [   0.0012081500000000, -0.0008915400000000, -0.0008915400000000 ]  - [  -0.0003324300000000,  0.0004250900000000,  0.0004250900000000 ]  - [   0.0004496700000000, -0.0002676400000000, -0.0000114500000000 ]  - [   0.0002339100000000, -0.0001275200000000,  0.0000110200000000 ]  - [  -0.0006193500000000,  0.0002672400000000, -0.0001282300000000 ]  - [   0.0002707400000000,  0.0003102000000000,  0.0003102000000000 ]  - [   0.0007654000000000,  0.0004307500000000,  0.0004966300000000 ]  - [  -0.0014749100000000,  0.0006766300000000,  0.0006766300000000 ]  - [  -0.0006193500000000, -0.0001282300000000,  0.0002672400000000 ]  - [   0.0008768100000000, -0.0006761400000000,  0.0008269000000000 ]  - [  -0.0003107500000000,  0.0002624900000000, -0.0008770300000000 ]  - [   0.0007654000000000,  0.0004966300000000,  0.0004307500000000 ]  - [  -0.0039354300000000, -0.0024551000000000, -0.0024551000000000 ]  - [   0.0078986500000000,  0.0110121500000000,  0.0024438700000000 ]  - [   0.0002339100000000,  0.0000110200000000, -0.0001275200000000 ]  - [  -0.0003107500000000, -0.0008770300000000,  0.0002624900000000 ]  - [  -0.0007023300000000,  0.0001182600000000,  0.0000079100000000 ]  - [  -0.0007023300000000,  0.0000079100000000,  0.0001182600000000 ]  - [   0.0002950800000000, -0.0000228700000000, -0.0000228700000000 ]  - [   0.0031362600000000, -0.0009070900000000, -0.0009070900000000 ]- atom:   29  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000059900000000, -0.0000347600000000, -0.0002647800000000 ]  - [   0.0011991300000000, -0.0007214500000000, -0.0002041400000000 ]  - [   0.0006359600000000,  0.0002027200000000,  0.0002027200000000 ]  - [  -0.0117965300000000,  0.0070305800000000,  0.0070305800000000 ]  - [   0.0011991300000000, -0.0002041400000000, -0.0007214500000000 ]  - [   0.0000059900000000, -0.0002647800000000, -0.0000347600000000 ]  - [   0.0011054100000000,  0.0005145800000000,  0.0013466500000000 ]  - [   0.0000266800000000,  0.0000301100000000,  0.0000854400000000 ]  - [   0.0001699400000000, -0.0001342300000000, -0.0001342300000000 ]  - [  -0.0003387400000000,  0.0001688000000000,  0.0001688000000000 ]  - [   0.0000266800000000,  0.0000854400000000,  0.0000301100000000 ]  - [   0.0011054100000000,  0.0013466500000000,  0.0005145800000000 ]  - [  -0.0056854500000000, -0.0057956600000000,  0.0063062200000000 ]  - [   0.0000519900000000, -0.0000117700000000,  0.0001319100000000 ]  - [  -0.0011255300000000, -0.0007224400000000,  0.0005976400000000 ]  - [   0.0003076500000000,  0.0000650500000000, -0.0001275000000000 ]  - [  -0.0002279500000000, -0.0003662400000000, -0.0004862400000000 ]  - [  -0.0000066800000000,  0.0001805600000000,  0.0000604300000000 ]  - [  -0.0000066800000000,  0.0000604300000000,  0.0001805600000000 ]  - [  -0.0002279500000000, -0.0004862400000000, -0.0003662400000000 ]  - [  -0.0011255300000000,  0.0005976400000000, -0.0007224400000000 ]  - [   0.0003076500000000, -0.0001275000000000,  0.0000650500000000 ]  - [   0.0000519900000000,  0.0001319100000000, -0.0000117700000000 ]  - [  -0.0056854500000000,  0.0063062200000000, -0.0057956600000000 ]  - [  -0.0555252600000000, -0.0342258200000000, -0.0342258200000000 ]  - [  -0.0022433400000000,  0.0005253900000000,  0.0005253900000000 ]  - [   0.0011259600000000, -0.0006197800000000,  0.0006854500000000 ]  - [   0.0011259600000000,  0.0006854500000000, -0.0006197800000000 ]  - [   0.0917658800000000,  0.0365541000000000,  0.0365541000000000 ]  - [  -0.0004541600000000,  0.0000143700000000,  0.0002708500000000 ]  - [  -0.0008688700000000, -0.0008263500000000,  0.0006734000000000 ]  - [  -0.0078137800000000, -0.0024289700000000, -0.0108376700000000 ]  - [  -0.0012067100000000,  0.0008810700000000,  0.0008810700000000 ]  - [   0.0003287200000000, -0.0004376600000000, -0.0004376600000000 ]  - [  -0.0004541600000000,  0.0002708500000000,  0.0000143700000000 ]  - [  -0.0002297300000000,  0.0001364400000000, -0.0000154600000000 ]  - [   0.0006210000000000, -0.0002702700000000,  0.0001364600000000 ]  - [  -0.0002813100000000, -0.0003140000000000, -0.0003140000000000 ]  - [  -0.0007742800000000, -0.0004324100000000, -0.0004988400000000 ]  - [   0.0014747300000000, -0.0006725500000000, -0.0006725500000000 ]  - [   0.0006210000000000,  0.0001364600000000, -0.0002702700000000 ]  - [  -0.0008688700000000,  0.0006734000000000, -0.0008263500000000 ]  - [   0.0003253800000000, -0.0002647000000000,  0.0008782900000000 ]  - [  -0.0007742800000000, -0.0004988400000000, -0.0004324100000000 ]  - [   0.0039139600000000,  0.0024173700000000,  0.0024173700000000 ]  - [  -0.0078137800000000, -0.0108376700000000, -0.0024289700000000 ]  - [  -0.0002297300000000, -0.0000154600000000,  0.0001364400000000 ]  - [   0.0003253800000000,  0.0008782900000000, -0.0002647000000000 ]  - [   0.0006996200000000, -0.0001080300000000, -0.0000104800000000 ]  - [   0.0006996200000000, -0.0000104800000000, -0.0001080300000000 ]  - [  -0.0002942200000000,  0.0000219900000000,  0.0000219900000000 ]  - [  -0.0031678700000000,  0.0009163100000000,  0.0009163100000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0024268200000000,  0.0003741300000000,  0.0000543100000000 ]  - [   0.0024268200000000, -0.0003741300000000, -0.0000543100000000 ]  - [   0.0291504700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0277583500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0024268200000000, -0.0000543100000000, -0.0003741300000000 ]  - [   0.0024268200000000,  0.0000543100000000,  0.0003741300000000 ]  - [   0.0008074900000000,  0.0000627100000000,  0.0000111100000000 ]  - [   0.0008074900000000, -0.0000627100000000, -0.0000111100000000 ]  - [   0.0003529500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003409600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008074900000000, -0.0000111100000000, -0.0000627100000000 ]  - [   0.0008074900000000,  0.0000111100000000,  0.0000627100000000 ]  - [  -0.0009562600000000, -0.0003942000000000,  0.0000039300000000 ]  - [  -0.0009562600000000,  0.0003942000000000, -0.0000039300000000 ]  - [  -0.0003723600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003336900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007776500000000, -0.0000052900000000, -0.0000746400000000 ]  - [  -0.0007776500000000,  0.0000052900000000,  0.0000746400000000 ]  - [  -0.0007776500000000,  0.0000746400000000,  0.0000052900000000 ]  - [  -0.0007776500000000, -0.0000746400000000, -0.0000052900000000 ]  - [  -0.0003723600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003336900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009562600000000, -0.0000039300000000,  0.0003942000000000 ]  - [  -0.0009562600000000,  0.0000039300000000, -0.0003942000000000 ]  - [   0.0004080200000000,  0.0014129400000000,  0.0014129400000000 ]  - [   0.0004080200000000, -0.0014129400000000, -0.0014129400000000 ]  - [   0.0004199800000000, -0.0014193500000000,  0.0014193500000000 ]  - [   0.0004199800000000,  0.0014193500000000, -0.0014193500000000 ]  - [   0.0012033800000000, -0.0008781400000000, -0.0008781400000000 ]  - [  -0.0003232300000000, -0.0002616800000000,  0.0008883900000000 ]  - [   0.0012057900000000, -0.0008769800000000,  0.0008769800000000 ]  - [  -0.0003172300000000, -0.0002667500000000, -0.0008847200000000 ]  - [  -0.0725116600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002762500000000,  0.0003090300000000,  0.0003090300000000 ]  - [  -0.0003232300000000,  0.0008883900000000, -0.0002616800000000 ]  - [   0.0002733700000000,  0.0003144300000000, -0.0003144300000000 ]  - [  -0.0003172300000000,  0.0008847200000000,  0.0002667500000000 ]  - [  -0.0010221400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003232300000000,  0.0002616800000000, -0.0008883900000000 ]  - [   0.0012033800000000,  0.0008781400000000,  0.0008781400000000 ]  - [  -0.0003172300000000,  0.0002667500000000,  0.0008847200000000 ]  - [   0.0012057900000000,  0.0008769800000000, -0.0008769800000000 ]  - [   0.0010006900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003232300000000, -0.0008883900000000,  0.0002616800000000 ]  - [   0.0002762500000000, -0.0003090300000000, -0.0003090300000000 ]  - [  -0.0003172300000000, -0.0008847200000000, -0.0002667500000000 ]  - [   0.0002733700000000, -0.0003144300000000,  0.0003144300000000 ]  - [   0.0010006900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010830400000000,  0.0013319800000000, -0.0013319800000000 ]  - [   0.0010830400000000, -0.0013319800000000,  0.0013319800000000 ]  - [   0.0010811600000000, -0.0013350600000000, -0.0013350600000000 ]  - [   0.0010811600000000,  0.0013350600000000,  0.0013350600000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000076700000000,  0.0000124300000000,  0.0003358000000000 ]  - [  -0.0012170400000000, -0.0017481700000000, -0.0001325600000000 ]  - [  -0.0004929500000000,  0.0002076700000000, -0.0002076700000000 ]  - [   0.0009545100000000, -0.0001965900000000,  0.0001965900000000 ]  - [   0.0000076700000000, -0.0003358000000000, -0.0000124300000000 ]  - [  -0.0012170400000000,  0.0001325600000000,  0.0017481700000000 ]  - [  -0.0012170400000000,  0.0017481700000000,  0.0001325600000000 ]  - [   0.0000076700000000, -0.0000124300000000, -0.0003358000000000 ]  - [  -0.0004929500000000, -0.0002076700000000,  0.0002076700000000 ]  - [   0.0009545100000000,  0.0001965900000000, -0.0001965900000000 ]  - [  -0.0012170400000000, -0.0001325600000000, -0.0017481700000000 ]  - [   0.0000076700000000,  0.0003358000000000,  0.0000124300000000 ]  - [  -0.0012292500000000,  0.0017456000000000, -0.0001343900000000 ]  - [   0.0000051700000000, -0.0000108300000000,  0.0003353600000000 ]  - [   0.0009455200000000,  0.0002085300000000,  0.0002085300000000 ]  - [  -0.0004889400000000, -0.0002107700000000, -0.0002107700000000 ]  - [   0.0000051700000000,  0.0003353600000000, -0.0000108300000000 ]  - [  -0.0012292500000000, -0.0001343900000000,  0.0017456000000000 ]  - [   0.0000051700000000,  0.0000108300000000, -0.0003353600000000 ]  - [  -0.0012292500000000, -0.0017456000000000,  0.0001343900000000 ]  - [   0.0009455200000000, -0.0002085300000000, -0.0002085300000000 ]  - [  -0.0004889400000000,  0.0002107700000000,  0.0002107700000000 ]  - [  -0.0012292500000000,  0.0001343900000000, -0.0017456000000000 ]  - [   0.0000051700000000, -0.0003353600000000,  0.0000108300000000 ]  - [   0.0024475700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0024475700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0006355400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0038532800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007008300000000, -0.0009145800000000,  0.0000097900000000 ]  - [   0.0031650900000000, -0.0001076800000000, -0.0001076800000000 ]  - [   0.0031351400000000,  0.0001196800000000, -0.0001196800000000 ]  - [  -0.0007029700000000,  0.0009079500000000,  0.0000096800000000 ]  - [   0.0010836000000000,  0.0013367900000000, -0.0013367900000000 ]  - [  -0.0007008300000000,  0.0000097900000000, -0.0009145800000000 ]  - [   0.0002940400000000,  0.0000232200000000,  0.0000232200000000 ]  - [   0.0002955000000000, -0.0000212400000000,  0.0000212400000000 ]  - [  -0.0007029700000000, -0.0000096800000000, -0.0009079500000000 ]  - [   0.0010836000000000, -0.0013367900000000,  0.0013367900000000 ]  - [   0.0002940400000000, -0.0000232200000000, -0.0000232200000000 ]  - [  -0.0007008300000000, -0.0000097900000000,  0.0009145800000000 ]  - [  -0.0007029700000000,  0.0000096800000000,  0.0009079500000000 ]  - [   0.0002955000000000,  0.0000212400000000, -0.0000212400000000 ]  - [   0.0010894300000000, -0.0013290900000000, -0.0013290900000000 ]  - [   0.0031650900000000,  0.0001076800000000,  0.0001076800000000 ]  - [  -0.0007008300000000,  0.0009145800000000, -0.0000097900000000 ]  - [  -0.0007029700000000, -0.0009079500000000, -0.0000096800000000 ]  - [   0.0031351400000000, -0.0001196800000000,  0.0001196800000000 ]  - [   0.0010894300000000,  0.0013290900000000,  0.0013290900000000 ]  - [  -0.0053825000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003109700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003371500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003371500000000,  0.0000000000000000,  0.0000000000000000 ]