# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/85160a04-4775-491a-b89b-a74eb059e66b/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 Rb2NaTmCl6 / Fm-3m (225) / materials id 567498](https://mdr.nims.go.jp/datasets/9e690953-4fc4-4e67-bb9e-93f185c35b9d)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     5.256567460000000,     5.256567460000000 ] # a  - [     5.256567460000000,     0.000000000000000,     5.256567460000000 ] # b  - [     5.256567460000000,     5.256567460000000,     0.000000000000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800  - symbol: Na # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Tm # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 168.934210  - symbol: Cl # 5    coordinates: [  0.256333550000000,  0.743666450000000,  0.743666450000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.256333550000000,  0.743666450000000,  0.256333550000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.743666450000000,  0.256333550000000,  0.256333550000000 ]    mass: 35.453000  - symbol: Cl # 8    coordinates: [  0.743666450000000,  0.743666450000000,  0.256333550000000 ]    mass: 35.453000  - symbol: Cl # 9    coordinates: [  0.256333550000000,  0.256333550000000,  0.743666450000000 ]    mass: 35.453000  - symbol: Cl # 10    coordinates: [  0.743666450000000,  0.256333550000000,  0.743666450000000 ]    mass: 35.453000  reciprocal_lattice: # without 2pi  - [    -0.095119106490074,     0.095119106490074,     0.095119106490074 ] # a*  - [     0.095119106490074,    -0.095119106490074,     0.095119106490074 ] # b*  - [     0.095119106490074,     0.095119106490074,    -0.095119106490074 ] # c*unit_cell:  lattice:  - [    10.513134920000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.513134920000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.513134920000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Na # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Tm # 13    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Cl # 17    coordinates: [  0.743666450000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.000000000000000,  0.756333550000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.756333550000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.243666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.500000000000000,  0.500000000000000,  0.256333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.500000000000000,  0.743666450000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.743666450000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 24    coordinates: [  0.000000000000000,  0.256333550000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 25    coordinates: [  0.756333550000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.743666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 27    coordinates: [  0.500000000000000,  0.000000000000000,  0.756333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 28    coordinates: [  0.500000000000000,  0.243666450000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 29    coordinates: [  0.243666450000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 30    coordinates: [  0.500000000000000,  0.756333550000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 31    coordinates: [  0.256333550000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.743666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.756333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 34    coordinates: [  0.000000000000000,  0.743666450000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 35    coordinates: [  0.243666450000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 36    coordinates: [  0.500000000000000,  0.256333550000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 37    coordinates: [  0.256333550000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.243666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.256333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 40    coordinates: [  0.000000000000000,  0.243666450000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 22supercell:  lattice:  - [    10.513134920000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.513134920000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.513134920000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Na # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Tm # 13    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Tm # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 13  - symbol: Cl # 17    coordinates: [  0.743666450000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.000000000000000,  0.756333550000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.756333550000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.243666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.500000000000000,  0.500000000000000,  0.256333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.500000000000000,  0.743666450000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.743666450000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 24    coordinates: [  0.000000000000000,  0.256333550000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 25    coordinates: [  0.756333550000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.743666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 27    coordinates: [  0.500000000000000,  0.000000000000000,  0.756333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 28    coordinates: [  0.500000000000000,  0.243666450000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 29    coordinates: [  0.243666450000000,  0.500000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 30    coordinates: [  0.500000000000000,  0.756333550000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 31    coordinates: [  0.256333550000000,  0.500000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.743666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.756333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 34    coordinates: [  0.000000000000000,  0.743666450000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 35    coordinates: [  0.243666450000000,  0.000000000000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 36    coordinates: [  0.500000000000000,  0.256333550000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 37    coordinates: [  0.256333550000000,  0.000000000000000,  0.000000000000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.243666450000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.256333550000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 40    coordinates: [  0.000000000000000,  0.243666450000000,  0.500000000000000 ]    mass: 35.453000    reduced_to: 22displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0044794400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009996400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004186500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009996400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010417600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0022951500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010417600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004292900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001795600000000, -0.0006318000000000, -0.0006318000000000 ]  - [   0.0001795600000000,  0.0006318000000000,  0.0006318000000000 ]  - [   0.0001819100000000,  0.0006287200000000, -0.0006287200000000 ]  - [   0.0001819100000000, -0.0006287200000000,  0.0006287200000000 ]  - [   0.0003529300000000,  0.0022224600000000,  0.0022224600000000 ]  - [   0.0003529300000000, -0.0022224600000000, -0.0022224600000000 ]  - [   0.0003439500000000, -0.0022314100000000,  0.0022314100000000 ]  - [   0.0003439500000000,  0.0022314100000000, -0.0022314100000000 ]  - [   0.0013891100000000, -0.0001491700000000, -0.0001491700000000 ]  - [  -0.0001955400000000, -0.0006257100000000,  0.0007647300000000 ]  - [   0.0014571200000000,  0.0001467000000000, -0.0001467000000000 ]  - [   0.0000231700000000,  0.0002665100000000, -0.0003746500000000 ]  - [   0.0000192000000000, -0.0002653700000000, -0.0003098500000000 ]  - [  -0.0002199400000000, -0.0006917100000000, -0.0007794300000000 ]  - [   0.0013891100000000,  0.0001491700000000,  0.0001491700000000 ]  - [   0.0000231700000000,  0.0003746500000000, -0.0002665100000000 ]  - [   0.0014571200000000, -0.0001467000000000,  0.0001467000000000 ]  - [  -0.0001955400000000, -0.0007647300000000,  0.0006257100000000 ]  - [  -0.0002199400000000,  0.0007794300000000,  0.0006917100000000 ]  - [   0.0000192000000000,  0.0003098500000000,  0.0002653700000000 ]  - [  -0.0010880300000000,  0.0000844400000000, -0.0000844400000000 ]  - [  -0.0002199400000000,  0.0006917100000000,  0.0007794300000000 ]  - [  -0.0010256300000000, -0.0000832200000000, -0.0000832200000000 ]  - [  -0.0002199400000000, -0.0007794300000000, -0.0006917100000000 ]  - [  -0.0001955400000000,  0.0007647300000000, -0.0006257100000000 ]  - [  -0.0001955400000000,  0.0006257100000000, -0.0007647300000000 ]  - [  -0.0010880300000000, -0.0000844400000000,  0.0000844400000000 ]  - [   0.0000192000000000, -0.0003098500000000, -0.0002653700000000 ]  - [  -0.0010256300000000,  0.0000832200000000,  0.0000832200000000 ]  - [   0.0000192000000000,  0.0002653700000000,  0.0003098500000000 ]  - [   0.0000231700000000, -0.0002665100000000,  0.0003746500000000 ]  - [   0.0000231700000000, -0.0003746500000000,  0.0002665100000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001935500000000, -0.0006280500000000, -0.0006280500000000 ]  - [   0.0001935500000000, -0.0006280500000000,  0.0006280500000000 ]  - [   0.0001935500000000,  0.0006280500000000,  0.0006280500000000 ]  - [   0.0001935500000000,  0.0006280500000000, -0.0006280500000000 ]  - [   0.0001895300000000,  0.0006322700000000, -0.0006322700000000 ]  - [   0.0001895300000000,  0.0006322700000000,  0.0006322700000000 ]  - [   0.0001895300000000, -0.0006322700000000,  0.0006322700000000 ]  - [   0.0001895300000000, -0.0006322700000000, -0.0006322700000000 ]  - [  -0.0277132600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000746500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000552200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000552200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0110392900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003166400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000041700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000041700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0084532100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002829500000000, -0.0000081800000000,  0.0000000000000000 ]  - [   0.0001909600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002829500000000,  0.0000000000000000,  0.0000081800000000 ]  - [  -0.0011158400000000,  0.0000000000000000,  0.0000217300000000 ]  - [  -0.0011158400000000, -0.0000217300000000,  0.0000000000000000 ]  - [  -0.0000922900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001107300000000,  0.0000170500000000,  0.0000000000000000 ]  - [   0.0001909600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001107300000000,  0.0000000000000000, -0.0000170500000000 ]  - [  -0.0001116600000000,  0.0000000000000000,  0.0000178500000000 ]  - [  -0.0001116600000000, -0.0000178500000000,  0.0000000000000000 ]  - [   0.0001586400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001116600000000,  0.0000178500000000,  0.0000000000000000 ]  - [   0.0091324500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011158400000000,  0.0000000000000000, -0.0000217300000000 ]  - [   0.0002829500000000,  0.0000000000000000, -0.0000081800000000 ]  - [   0.0001107300000000, -0.0000170500000000,  0.0000000000000000 ]  - [   0.0001586400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011158400000000,  0.0000217300000000,  0.0000000000000000 ]  - [  -0.0000597000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001116600000000,  0.0000000000000000, -0.0000178500000000 ]  - [   0.0001107300000000,  0.0000000000000000,  0.0000170500000000 ]  - [   0.0002829500000000,  0.0000081800000000,  0.0000000000000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0003409300000000,  0.0022342600000000,  0.0022342600000000 ]  - [   0.0003409300000000,  0.0022342600000000, -0.0022342600000000 ]  - [   0.0003409300000000, -0.0022342600000000, -0.0022342600000000 ]  - [   0.0003409300000000, -0.0022342600000000,  0.0022342600000000 ]  - [   0.0003536600000000, -0.0022212800000000,  0.0022212800000000 ]  - [   0.0003536600000000, -0.0022212800000000, -0.0022212800000000 ]  - [   0.0003536600000000,  0.0022212800000000, -0.0022212800000000 ]  - [   0.0003536600000000,  0.0022212800000000,  0.0022212800000000 ]  - [   0.0110281400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003062400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000131000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000131000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.1135411300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011216900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010092400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010092400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0464436000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0025295200000000,  0.0000923500000000,  0.0000000000000000 ]  - [  -0.0001753400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0025295200000000,  0.0000000000000000, -0.0000923500000000 ]  - [   0.0047080300000000,  0.0000000000000000,  0.0002606000000000 ]  - [   0.0047080300000000, -0.0002606000000000,  0.0000000000000000 ]  - [   0.0002226000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004313500000000,  0.0000963400000000,  0.0000000000000000 ]  - [  -0.0001753400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004313500000000,  0.0000000000000000, -0.0000963400000000 ]  - [   0.0004168000000000,  0.0000000000000000,  0.0000968500000000 ]  - [   0.0004168000000000, -0.0000968500000000,  0.0000000000000000 ]  - [  -0.0003886700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004168000000000,  0.0000968500000000,  0.0000000000000000 ]  - [   0.0439591400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0047080300000000,  0.0000000000000000, -0.0002606000000000 ]  - [  -0.0025295200000000,  0.0000000000000000,  0.0000923500000000 ]  - [  -0.0004313500000000, -0.0000963400000000,  0.0000000000000000 ]  - [  -0.0003886700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0047080300000000,  0.0002606000000000,  0.0000000000000000 ]  - [   0.0004046400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004168000000000,  0.0000000000000000, -0.0000968500000000 ]  - [  -0.0004313500000000,  0.0000000000000000,  0.0000963400000000 ]  - [  -0.0025295200000000, -0.0000923500000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001464100000000, -0.0001957100000000, -0.0007620800000000 ]  - [  -0.0001464100000000, -0.0001957100000000,  0.0007620800000000 ]  - [   0.0001496600000000, -0.0002169700000000, -0.0007791700000000 ]  - [   0.0001496600000000, -0.0002169700000000,  0.0007791700000000 ]  - [   0.0000827600000000,  0.0000240100000000,  0.0002677400000000 ]  - [   0.0000827600000000,  0.0000240100000000, -0.0002677400000000 ]  - [  -0.0000848500000000,  0.0000203000000000,  0.0002675600000000 ]  - [  -0.0000848500000000,  0.0000203000000000, -0.0002675600000000 ]  - [  -0.0000305700000000,  0.0002736300000000,  0.0000000000000000 ]  - [  -0.0000003800000000, -0.0001207000000000,  0.0000000000000000 ]  - [   0.0000003600000000,  0.0001007900000000,  0.0000000000000000 ]  - [  -0.0000000800000000, -0.0011252100000000,  0.0000000000000000 ]  - [   0.0000739600000000,  0.0047155300000000,  0.0000000000000000 ]  - [   0.0000026000000000, -0.0004389100000000,  0.0000000000000000 ]  - [   0.0000017100000000,  0.0004304200000000,  0.0000000000000000 ]  - [  -0.0000002300000000, -0.0025397100000000,  0.0000000000000000 ]  - [  -0.0001504600000000, -0.0080636900000000,  0.0000000000000000 ]  - [   0.0013947500000000,  0.0019897100000000,  0.0000000000000000 ]  - [   0.0001013500000000, -0.0002831600000000,  0.0000000000000000 ]  - [  -0.0000011400000000, -0.0004560700000000, -0.0001017300000000 ]  - [   0.0000068000000000, -0.0011713400000000,  0.0001140200000000 ]  - [  -0.0041187100000000,  0.0019397500000000,  0.0000000000000000 ]  - [  -0.0001027900000000,  0.0003444200000000,  0.0000000000000000 ]  - [  -0.0000966800000000, -0.0000341300000000,  0.0000000000000000 ]  - [   0.0001008000000000,  0.0007545500000000,  0.0000000000000000 ]  - [   0.0000009300000000,  0.0003437300000000, -0.0001032800000000 ]  - [  -0.0000014900000000,  0.0003440600000000,  0.0001081300000000 ]  - [   0.0000963600000000,  0.0000162500000000,  0.0000000000000000 ]  - [  -0.0000998900000000, -0.0000793600000000,  0.0000000000000000 ]  - [  -0.0000986300000000,  0.0002278600000000,  0.0000000000000000 ]  - [   0.0001216900000000,  0.0001030100000000,  0.0000000000000000 ]  - [   0.0000068000000000, -0.0011713400000000, -0.0001140200000000 ]  - [  -0.0000011400000000, -0.0004560700000000,  0.0001017300000000 ]  - [   0.0000986100000000, -0.0002487800000000,  0.0000000000000000 ]  - [  -0.0000981100000000,  0.0006593100000000,  0.0000000000000000 ]  - [   0.0040632700000000,  0.0021301800000000,  0.0000000000000000 ]  - [   0.0001005200000000,  0.0000958400000000,  0.0000000000000000 ]  - [  -0.0000014900000000,  0.0003440600000000, -0.0001081300000000 ]  - [   0.0000009300000000,  0.0003437300000000,  0.0001032800000000 ]  - [  -0.0013719600000000,  0.0017684000000000,  0.0000000000000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0014289900000000, -0.0006534600000000, -0.0006534600000000 ]  - [   0.0014289900000000, -0.0006534600000000,  0.0006534600000000 ]  - [   0.0014289900000000,  0.0006534600000000,  0.0006534600000000 ]  - [   0.0014289900000000,  0.0006534600000000, -0.0006534600000000 ]  - [  -0.0010596000000000,  0.0003392900000000, -0.0003392900000000 ]  - [  -0.0010596000000000,  0.0003392900000000,  0.0003392900000000 ]  - [  -0.0010596000000000, -0.0003392900000000,  0.0003392900000000 ]  - [  -0.0010596000000000, -0.0003392900000000, -0.0003392900000000 ]  - [   0.0091178000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000844600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001622900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001622900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0438761400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003134500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002785300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002785300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0814504400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0018798100000000,  0.0026013900000000,  0.0000000000000000 ]  - [  -0.0009452000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0018798100000000,  0.0000000000000000, -0.0026013900000000 ]  - [   0.0020358100000000,  0.0000000000000000,  0.0049055200000000 ]  - [   0.0020358100000000, -0.0049055200000000,  0.0000000000000000 ]  - [  -0.0005681300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001179000000000, -0.0003238500000000,  0.0000000000000000 ]  - [  -0.0009452000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001179000000000,  0.0000000000000000,  0.0003238500000000 ]  - [  -0.0001372100000000,  0.0000000000000000, -0.0003230300000000 ]  - [  -0.0001372100000000,  0.0003230300000000,  0.0000000000000000 ]  - [   0.0014523000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001372100000000, -0.0003230300000000,  0.0000000000000000 ]  - [   0.0105598100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0020358100000000,  0.0000000000000000, -0.0049055200000000 ]  - [   0.0018798100000000,  0.0000000000000000,  0.0026013900000000 ]  - [   0.0001179000000000,  0.0003238500000000,  0.0000000000000000 ]  - [   0.0014523000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0020358100000000,  0.0049055200000000,  0.0000000000000000 ]  - [   0.0003913300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001372100000000,  0.0000000000000000,  0.0003230300000000 ]  - [   0.0001179000000000,  0.0000000000000000, -0.0003238500000000 ]  - [   0.0018798100000000, -0.0026013900000000,  0.0000000000000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0014271200000000,  0.0006667000000000,  0.0006667000000000 ]  - [  -0.0014271200000000,  0.0006667000000000, -0.0006667000000000 ]  - [  -0.0014271200000000, -0.0006667000000000, -0.0006667000000000 ]  - [  -0.0014271200000000, -0.0006667000000000,  0.0006667000000000 ]  - [   0.0010599100000000, -0.0003439000000000,  0.0003439000000000 ]  - [   0.0010599100000000, -0.0003439000000000, -0.0003439000000000 ]  - [   0.0010599100000000,  0.0003439000000000, -0.0003439000000000 ]  - [   0.0010599100000000,  0.0003439000000000,  0.0003439000000000 ]  - [  -0.0084472700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000857700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001657000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001657000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0465265900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003199100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002860200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002860200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0834529800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0018718800000000, -0.0024854700000000,  0.0000000000000000 ]  - [   0.0010306000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0018718800000000,  0.0000000000000000,  0.0024854700000000 ]  - [  -0.0020418600000000,  0.0000000000000000, -0.0048570500000000 ]  - [  -0.0020418600000000,  0.0048570500000000,  0.0000000000000000 ]  - [   0.0004820900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001196000000000,  0.0004131300000000,  0.0000000000000000 ]  - [   0.0010306000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001196000000000,  0.0000000000000000, -0.0004131300000000 ]  - [   0.0001376400000000,  0.0000000000000000,  0.0004139900000000 ]  - [   0.0001376400000000, -0.0004139900000000,  0.0000000000000000 ]  - [  -0.0015440400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001376400000000,  0.0004139900000000,  0.0000000000000000 ]  - [  -0.0105849900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0020418600000000,  0.0000000000000000,  0.0048570500000000 ]  - [  -0.0018718800000000,  0.0000000000000000, -0.0024854700000000 ]  - [  -0.0001196000000000, -0.0004131300000000,  0.0000000000000000 ]  - [  -0.0015440400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0020418600000000, -0.0048570500000000,  0.0000000000000000 ]  - [  -0.0003042000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001376400000000,  0.0000000000000000, -0.0004139900000000 ]  - [  -0.0001196000000000,  0.0000000000000000,  0.0004131300000000 ]  - [  -0.0018718800000000,  0.0024854700000000,  0.0000000000000000 ]