# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8ef8dd7a-8658-4bbc-b777-a61c6bd5955e/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 SrHfO3 / I4/mcm (140) / materials id 3721](https://mdr.nims.go.jp/datasets/cbcc46a8-16f5-4c85-96b9-c760831c7ab3)

## 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: "I4/mcm"  number: 140  Hall_symbol: "-I 4 2c"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -2.853599630000000,     2.853599630000000,     4.125484615000000 ] # a  - [     2.853599630000000,    -2.853599630000000,     4.125484615000000 ] # b  - [     2.853599630000000,     2.853599630000000,    -4.125484615000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.695050570000000,  0.195050570000000,  0.890101140000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.804949430000000,  0.695050570000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.195050570000000,  0.304949430000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.304949430000000,  0.804949430000000,  0.109898860000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: Sr # 7    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sr # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Hf # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000  - symbol: Hf # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 178.490000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.175217292132884,     0.121197882591061 ] # a*  - [     0.175217292132884,     0.000000000000000,     0.121197882591061 ] # b*  - [     0.175217292132884,     0.175217292132884,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.707199260000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.707199260000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.250969230000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.695050570000000,  0.195050570000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.195050570000000,  0.304949430000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.804949430000000,  0.695050570000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.304949430000000,  0.804949430000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.195050570000000,  0.695050570000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.695050570000000,  0.804949430000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 9    coordinates: [  0.304949430000000,  0.195050570000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 10    coordinates: [  0.804949430000000,  0.304949430000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 6  - symbol: Sr # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 14  - symbol: Sr # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 14  - symbol: Hf # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 17  - symbol: Hf # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 18  - symbol: Hf # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 17  - symbol: Hf # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 18supercell:  lattice:  - [    11.414398520000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.414398520000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.250969230000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.347525285000000,  0.097525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.847525285000000,  0.097525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.347525285000000,  0.597525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.847525285000000,  0.597525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.097525285000000,  0.152474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.597525285000000,  0.152474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.097525285000000,  0.652474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.597525285000000,  0.652474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.402474715000000,  0.347525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.902474715000000,  0.347525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.402474715000000,  0.847525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.902474715000000,  0.847525285000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.152474715000000,  0.402474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.652474715000000,  0.402474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.152474715000000,  0.902474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.652474715000000,  0.902474715000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.097525285000000,  0.347525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.597525285000000,  0.347525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.097525285000000,  0.847525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.597525285000000,  0.847525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.347525285000000,  0.402474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.847525285000000,  0.402474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 31    coordinates: [  0.347525285000000,  0.902474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 32    coordinates: [  0.847525285000000,  0.902474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 33    coordinates: [  0.152474715000000,  0.097525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.652474715000000,  0.097525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 35    coordinates: [  0.152474715000000,  0.597525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 36    coordinates: [  0.652474715000000,  0.597525285000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 37    coordinates: [  0.402474715000000,  0.152474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.902474715000000,  0.152474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 39    coordinates: [  0.402474715000000,  0.652474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 40    coordinates: [  0.902474715000000,  0.652474715000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 43    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 45    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 47    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: Sr # 49    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 50    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 51    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 52    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 53    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 54    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 55    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 56    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 57    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 58    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 59    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 60    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 61    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 62    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 63    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 64    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Hf # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 73    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 74    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 75    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 76    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 178.490000    reduced_to: 65  - symbol: Hf # 77    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 78    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 79    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 69  - symbol: Hf # 80    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 178.490000    reduced_to: 69born_effective_charge:- # 1 (O)  - [ -3.125726030000000,  1.270438380000000,  0.000000000000000 ]  - [  1.270438370000000, -3.125726030000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.939774500000000 ]- # 2 (O)  - [ -3.125726030000000, -1.270438370000000,  0.000000000000000 ]  - [ -1.270438380000000, -3.125726030000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.939774500000000 ]- # 3 (O)  - [ -3.125726030000000, -1.270438370000000,  0.000000000000000 ]  - [ -1.270438380000000, -3.125726030000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.939774500000000 ]- # 4 (O)  - [ -3.125726030000000,  1.270438380000000,  0.000000000000000 ]  - [  1.270438370000000, -3.125726030000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.939774500000000 ]- # 5 (O)  - [ -1.828497010000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.828497010000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -4.601460680000000 ]- # 6 (O)  - [ -1.828497010000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.828497010000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -4.601460680000000 ]- # 7 (Sr)  - [  2.425025600000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  2.425025600000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.742145180000000 ]- # 8 (Sr)  - [  2.425025600000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  2.425025600000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.742145180000000 ]- # 9 (Hf)  - [  5.654923470000000, -0.370413880000000, -0.000000000000000 ]  - [  0.370413880000000,  5.654923470000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  5.738864490000000 ]- # 10 (Hf)  - [  5.654923470000000,  0.370413880000000,  0.000000000000000 ]  - [ -0.370413880000000,  5.654923470000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  5.738864490000000 ]dielectric_constant:  - [  4.403236910000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.403236910000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.590422510000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1478044700000000,  0.0871840800000000,  0.0000000000000000 ]  - [   0.0071982600000000, -0.0009291500000000,  0.0000000000000000 ]  - [  -0.0017910800000000, -0.0009364100000000,  0.0000000000000000 ]  - [   0.0043772300000000, -0.0038485800000000,  0.0000000000000000 ]  - [   0.0219821700000000,  0.0008257100000000,  0.0000000000000000 ]  - [   0.0222647900000000,  0.0110306500000000,  0.0000000000000000 ]  - [  -0.0007042400000000, -0.0013951400000000,  0.0000000000000000 ]  - [  -0.0007185900000000, -0.0026579400000000,  0.0000000000000000 ]  - [  -0.0090872200000000, -0.0008721600000000,  0.0000000000000000 ]  - [   0.0052544400000000,  0.0014022000000000,  0.0000000000000000 ]  - [  -0.0091333400000000, -0.0109565400000000,  0.0000000000000000 ]  - [   0.0052511200000000,  0.0026373800000000,  0.0000000000000000 ]  - [   0.0127467900000000, -0.0166545900000000,  0.0000000000000000 ]  - [  -0.0003631100000000,  0.0018676500000000,  0.0000000000000000 ]  - [   0.0021852500000000,  0.0059481700000000,  0.0000000000000000 ]  - [   0.0252837600000000, -0.0167227600000000,  0.0000000000000000 ]  - [  -0.0005491000000000, -0.0053502300000000,  0.0111028900000000 ]  - [   0.0020191500000000,  0.0011014500000000, -0.0011904700000000 ]  - [  -0.0014074800000000,  0.0002218000000000, -0.0002392200000000 ]  - [   0.0015187700000000, -0.0012724000000000, -0.0011414800000000 ]  - [   0.0024784800000000,  0.0011380200000000,  0.0012943300000000 ]  - [   0.0031809400000000, -0.0048840400000000, -0.0159370500000000 ]  - [   0.0013653400000000, -0.0009243300000000,  0.0007584300000000 ]  - [  -0.0010283300000000, -0.0003426300000000, -0.0001097700000000 ]  - [   0.0016441500000000, -0.0017002100000000,  0.0000000000000000 ]  - [  -0.0000027100000000,  0.0010540900000000,  0.0000000000000000 ]  - [   0.0000084000000000,  0.0010522800000000,  0.0000000000000000 ]  - [   0.0016322200000000, -0.0025063300000000,  0.0000000000000000 ]  - [  -0.0030500300000000, -0.0020176400000000,  0.0000000000000000 ]  - [   0.0019174300000000,  0.0009212200000000,  0.0000000000000000 ]  - [  -0.0053791200000000, -0.0006802200000000,  0.0000000000000000 ]  - [   0.0027804000000000,  0.0008862500000000,  0.0000000000000000 ]  - [   0.0017673100000000,  0.0006819500000000,  0.0000000000000000 ]  - [   0.0017961300000000,  0.0020158100000000,  0.0000000000000000 ]  - [  -0.0001133300000000, -0.0008858500000000,  0.0000000000000000 ]  - [  -0.0004529000000000, -0.0009240300000000,  0.0000000000000000 ]  - [  -0.0058912500000000,  0.0040761900000000,  0.0000000000000000 ]  - [   0.0026654100000000, -0.0003882000000000,  0.0000000000000000 ]  - [  -0.0014068500000000, -0.0003893100000000,  0.0000000000000000 ]  - [   0.0020385300000000, -0.0014233700000000,  0.0000000000000000 ]  - [   0.0024784800000000,  0.0011380200000000, -0.0012943300000000 ]  - [   0.0031809400000000, -0.0048840400000000,  0.0159370500000000 ]  - [   0.0013653400000000, -0.0009243300000000, -0.0007584300000000 ]  - [  -0.0010283300000000, -0.0003426300000000,  0.0001097700000000 ]  - [  -0.0005491000000000, -0.0053502300000000, -0.0111028900000000 ]  - [   0.0020191500000000,  0.0011014500000000,  0.0011904700000000 ]  - [  -0.0014074800000000,  0.0002218000000000,  0.0002392200000000 ]  - [   0.0015187700000000, -0.0012724000000000,  0.0011414800000000 ]  - [  -0.0037269600000000,  0.0007241800000000, -0.0021930400000000 ]  - [   0.0021512000000000, -0.0056615300000000,  0.0048582900000000 ]  - [  -0.0012357100000000, -0.0003027500000000, -0.0002394700000000 ]  - [   0.0012885700000000,  0.0029675400000000,  0.0014429800000000 ]  - [   0.0082360400000000, -0.0025258100000000, -0.0010398800000000 ]  - [  -0.0043809000000000, -0.0004581700000000,  0.0021774800000000 ]  - [   0.0012900500000000,  0.0023256800000000, -0.0009432000000000 ]  - [  -0.0008860600000000,  0.0001655100000000,  0.0001830900000000 ]  - [   0.0082360400000000, -0.0025258100000000,  0.0010398800000000 ]  - [  -0.0043809000000000, -0.0004581700000000, -0.0021774800000000 ]  - [   0.0012900500000000,  0.0023256800000000,  0.0009432000000000 ]  - [  -0.0008860600000000,  0.0001655100000000, -0.0001830900000000 ]  - [  -0.0037269600000000,  0.0007241800000000,  0.0021930400000000 ]  - [   0.0021512000000000, -0.0056615300000000, -0.0048582900000000 ]  - [  -0.0012357100000000, -0.0003027500000000,  0.0002394700000000 ]  - [   0.0012885700000000,  0.0029675400000000, -0.0014429800000000 ]  - [  -0.0045487600000000, -0.0016340900000000,  0.0000000000000000 ]  - [   0.0044269200000000, -0.0011501400000000,  0.0000000000000000 ]  - [  -0.0027571200000000,  0.0022203000000000,  0.0000000000000000 ]  - [   0.0031612900000000,  0.0007904200000000,  0.0000000000000000 ]  - [  -0.0123990500000000, -0.0091432700000000,  0.0000000000000000 ]  - [   0.0464626500000000, -0.0198264800000000,  0.0000000000000000 ]  - [  -0.0076710200000000,  0.0043954000000000,  0.0000000000000000 ]  - [   0.0038901500000000,  0.0025517400000000,  0.0000000000000000 ]  - [   0.0238229700000000, -0.0100429600000000,  0.0000000000000000 ]  - [  -0.0122173300000000, -0.0064055600000000,  0.0000000000000000 ]  - [   0.0084119300000000,  0.0002204200000000,  0.0000000000000000 ]  - [  -0.0078649000000000,  0.0085865800000000,  0.0000000000000000 ]  - [   0.0043583600000000, -0.0002229000000000,  0.0000000000000000 ]  - [  -0.0035782000000000, -0.0018634300000000,  0.0000000000000000 ]  - [   0.0025439700000000,  0.0002702700000000,  0.0000000000000000 ]  - [  -0.0035654200000000,  0.0017138700000000,  0.0000000000000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1450101100000000, -0.0859475200000000,  0.0000000000000000 ]  - [  -0.0071836100000000,  0.0009183400000000,  0.0000000000000000 ]  - [   0.0017809000000000,  0.0009096300000000,  0.0000000000000000 ]  - [  -0.0043717000000000,  0.0038205500000000,  0.0000000000000000 ]  - [  -0.0222374300000000, -0.0007644900000000,  0.0000000000000000 ]  - [  -0.0219548300000000, -0.0108619200000000,  0.0000000000000000 ]  - [   0.0007012600000000,  0.0013984600000000,  0.0000000000000000 ]  - [   0.0006875300000000,  0.0026316900000000,  0.0000000000000000 ]  - [   0.0090710000000000,  0.0007210100000000,  0.0000000000000000 ]  - [  -0.0052183600000000, -0.0013919600000000,  0.0000000000000000 ]  - [   0.0090268600000000,  0.0109351400000000,  0.0000000000000000 ]  - [  -0.0052225400000000, -0.0026537000000000,  0.0000000000000000 ]  - [  -0.0127727800000000,  0.0166477200000000,  0.0000000000000000 ]  - [   0.0003469300000000, -0.0018330100000000,  0.0000000000000000 ]  - [  -0.0021664500000000, -0.0059552300000000,  0.0000000000000000 ]  - [  -0.0249660200000000,  0.0165805400000000,  0.0000000000000000 ]  - [   0.0006236500000000,  0.0053147500000000, -0.0110768500000000 ]  - [  -0.0020147600000000, -0.0010912300000000,  0.0011728600000000 ]  - [   0.0014066600000000, -0.0002177100000000,  0.0002372100000000 ]  - [  -0.0015129400000000,  0.0012615300000000,  0.0011284100000000 ]  - [  -0.0024636600000000, -0.0011423300000000, -0.0013076000000000 ]  - [  -0.0032249400000000,  0.0048720900000000,  0.0157982600000000 ]  - [  -0.0013570000000000,  0.0009218000000000, -0.0007620700000000 ]  - [   0.0010177700000000,  0.0003341700000000,  0.0001152200000000 ]  - [  -0.0016280000000000,  0.0016759100000000,  0.0000000000000000 ]  - [  -0.0000184800000000, -0.0010573000000000,  0.0000000000000000 ]  - [  -0.0000074800000000, -0.0010600800000000,  0.0000000000000000 ]  - [  -0.0016398100000000,  0.0024897100000000,  0.0000000000000000 ]  - [   0.0030280000000000,  0.0020170900000000,  0.0000000000000000 ]  - [  -0.0019174800000000, -0.0009067800000000,  0.0000000000000000 ]  - [   0.0053526500000000,  0.0006913600000000,  0.0000000000000000 ]  - [  -0.0027773300000000, -0.0008755800000000,  0.0000000000000000 ]  - [  -0.0017371900000000, -0.0006881400000000,  0.0000000000000000 ]  - [  -0.0017930000000000, -0.0020178200000000,  0.0000000000000000 ]  - [   0.0001274800000000,  0.0008759200000000,  0.0000000000000000 ]  - [   0.0004532800000000,  0.0009048900000000,  0.0000000000000000 ]  - [   0.0058695200000000, -0.0040440100000000,  0.0000000000000000 ]  - [  -0.0026476900000000,  0.0003944500000000,  0.0000000000000000 ]  - [   0.0014102600000000,  0.0003922900000000,  0.0000000000000000 ]  - [  -0.0020198200000000,  0.0014240100000000,  0.0000000000000000 ]  - [  -0.0024636600000000, -0.0011423300000000,  0.0013076000000000 ]  - [  -0.0032249400000000,  0.0048720900000000, -0.0157982600000000 ]  - [  -0.0013570000000000,  0.0009218000000000,  0.0007620700000000 ]  - [   0.0010177700000000,  0.0003341700000000, -0.0001152200000000 ]  - [   0.0006236500000000,  0.0053147500000000,  0.0110768500000000 ]  - [  -0.0020147600000000, -0.0010912300000000, -0.0011728600000000 ]  - [   0.0014066600000000, -0.0002177100000000, -0.0002372100000000 ]  - [  -0.0015129400000000,  0.0012615300000000, -0.0011284100000000 ]  - [   0.0037067600000000, -0.0007303700000000,  0.0022125500000000 ]  - [  -0.0020624100000000,  0.0056714600000000, -0.0048867900000000 ]  - [   0.0012252100000000,  0.0003063500000000,  0.0002430100000000 ]  - [  -0.0012741600000000, -0.0029514500000000, -0.0014354300000000 ]  - [  -0.0083121200000000,  0.0024155100000000,  0.0008592500000000 ]  - [   0.0043663000000000,  0.0004572700000000, -0.0021525800000000 ]  - [  -0.0012915800000000, -0.0023147100000000,  0.0009355200000000 ]  - [   0.0008907100000000, -0.0001658000000000, -0.0001798200000000 ]  - [  -0.0083121200000000,  0.0024155100000000, -0.0008592500000000 ]  - [   0.0043663000000000,  0.0004572700000000,  0.0021525800000000 ]  - [  -0.0012915800000000, -0.0023147100000000, -0.0009355200000000 ]  - [   0.0008907100000000, -0.0001658000000000,  0.0001798200000000 ]  - [   0.0037067600000000, -0.0007303700000000, -0.0022125500000000 ]  - [  -0.0020624100000000,  0.0056714600000000,  0.0048867900000000 ]  - [   0.0012252100000000,  0.0003063500000000, -0.0002430100000000 ]  - [  -0.0012741600000000, -0.0029514500000000,  0.0014354300000000 ]  - [   0.0045133100000000,  0.0016310700000000,  0.0000000000000000 ]  - [  -0.0043889300000000,  0.0011359200000000,  0.0000000000000000 ]  - [   0.0027351900000000, -0.0022060400000000,  0.0000000000000000 ]  - [  -0.0031400900000000, -0.0007793700000000,  0.0000000000000000 ]  - [   0.0123736400000000,  0.0091971300000000,  0.0000000000000000 ]  - [  -0.0433162000000000,  0.0173287300000000,  0.0000000000000000 ]  - [   0.0076344000000000, -0.0043913500000000,  0.0000000000000000 ]  - [  -0.0038247400000000, -0.0024955300000000,  0.0000000000000000 ]  - [  -0.0244329800000000,  0.0116275000000000,  0.0000000000000000 ]  - [   0.0121474500000000,  0.0063315800000000,  0.0000000000000000 ]  - [  -0.0084064500000000, -0.0002157800000000,  0.0000000000000000 ]  - [   0.0078251700000000, -0.0085101200000000,  0.0000000000000000 ]  - [  -0.0043537500000000,  0.0002222200000000,  0.0000000000000000 ]  - [   0.0035807100000000,  0.0018502400000000,  0.0000000000000000 ]  - [  -0.0025397000000000, -0.0002772100000000,  0.0000000000000000 ]  - [   0.0035601900000000, -0.0017028200000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002893100000000,  0.0002893100000000, -0.0503411700000000 ]  - [  -0.0000103400000000, -0.0000036900000000, -0.0003230700000000 ]  - [  -0.0000036900000000, -0.0000103400000000, -0.0003230700000000 ]  - [  -0.0000059400000000, -0.0000059400000000,  0.0000311600000000 ]  - [   0.0000402100000000,  0.0000168100000000, -0.0037136500000000 ]  - [  -0.0000465000000000, -0.0000143500000000, -0.0037136200000000 ]  - [  -0.0000070100000000, -0.0000009500000000, -0.0002179700000000 ]  - [  -0.0000063400000000,  0.0000093900000000, -0.0002177600000000 ]  - [  -0.0000143500000000, -0.0000465000000000, -0.0037136200000000 ]  - [   0.0000093900000000, -0.0000063400000000, -0.0002177600000000 ]  - [   0.0000168100000000,  0.0000402100000000, -0.0037136500000000 ]  - [  -0.0000009500000000, -0.0000070100000000, -0.0002179700000000 ]  - [   0.0000644200000000, -0.0000778200000000,  0.0011396100000000 ]  - [   0.0000045600000000,  0.0000045600000000, -0.0002629300000000 ]  - [   0.0000083900000000,  0.0000083900000000, -0.0029479800000000 ]  - [  -0.0000778200000000,  0.0000644200000000,  0.0011396100000000 ]  - [   0.0067111700000000, -0.0098304900000000,  0.0092779600000000 ]  - [  -0.0001601200000000, -0.0000061800000000, -0.0000161200000000 ]  - [   0.0000032300000000,  0.0009290800000000, -0.0000070700000000 ]  - [  -0.0000495400000000,  0.0001087600000000,  0.0000964700000000 ]  - [   0.0009290800000000,  0.0000032300000000, -0.0000070700000000 ]  - [  -0.0098304900000000,  0.0067111700000000,  0.0092779600000000 ]  - [   0.0001087600000000, -0.0000495400000000,  0.0000964700000000 ]  - [  -0.0000061800000000, -0.0001601200000000, -0.0000161200000000 ]  - [  -0.0000213200000000,  0.0000034400000000,  0.0021046900000000 ]  - [  -0.0000030600000000, -0.0000030600000000,  0.0012545900000000 ]  - [  -0.0000160200000000, -0.0000160200000000,  0.0012544400000000 ]  - [   0.0000034400000000, -0.0000213200000000,  0.0021046900000000 ]  - [  -0.0000007600000000,  0.0000163500000000,  0.0015539100000000 ]  - [  -0.0000068700000000,  0.0000084200000000,  0.0000760900000000 ]  - [   0.0000033300000000, -0.0000076200000000,  0.0042822700000000 ]  - [  -0.0000126300000000,  0.0000037400000000,  0.0003430600000000 ]  - [  -0.0000076200000000,  0.0000033300000000,  0.0042822700000000 ]  - [   0.0000163500000000, -0.0000007600000000,  0.0015539100000000 ]  - [   0.0000037400000000, -0.0000126300000000,  0.0003430600000000 ]  - [   0.0000084200000000, -0.0000068700000000,  0.0000760900000000 ]  - [   0.0000095100000000,  0.0000095100000000,  0.0038659000000000 ]  - [   0.0000023900000000,  0.0000113100000000,  0.0003166700000000 ]  - [   0.0000113100000000,  0.0000023900000000,  0.0003166700000000 ]  - [   0.0000060100000000,  0.0000060100000000,  0.0001063400000000 ]  - [  -0.0009478600000000,  0.0000004900000000, -0.0000255600000000 ]  - [   0.0099671200000000, -0.0067977200000000,  0.0093195800000000 ]  - [  -0.0001077400000000,  0.0000476900000000,  0.0000783900000000 ]  - [   0.0000070700000000,  0.0001611400000000, -0.0000297700000000 ]  - [  -0.0067977200000000,  0.0099671200000000,  0.0093195800000000 ]  - [   0.0001611400000000,  0.0000070700000000, -0.0000297700000000 ]  - [   0.0000004900000000, -0.0009478600000000, -0.0000255600000000 ]  - [   0.0000476900000000, -0.0001077400000000,  0.0000783900000000 ]  - [  -0.0011847500000000,  0.0001069600000000,  0.0000049000000000 ]  - [   0.0047159000000000,  0.0047159000000000, -0.0035473000000000 ]  - [  -0.0001726100000000, -0.0001726100000000,  0.0000141200000000 ]  - [   0.0001069600000000, -0.0011847500000000,  0.0000049000000000 ]  - [  -0.0003643400000000, -0.0003643400000000,  0.0037224400000000 ]  - [   0.0010079200000000,  0.0000594600000000,  0.0000915000000000 ]  - [   0.0000594600000000,  0.0010079200000000,  0.0000915000000000 ]  - [   0.0000219600000000,  0.0000219600000000, -0.0000143300000000 ]  - [   0.0001159800000000,  0.0001159800000000,  0.0041624600000000 ]  - [  -0.0010090400000000, -0.0000539700000000,  0.0001178700000000 ]  - [  -0.0000539700000000, -0.0010090400000000,  0.0001178700000000 ]  - [  -0.0000237800000000, -0.0000237800000000, -0.0000052300000000 ]  - [   0.0011922800000000, -0.0001136000000000,  0.0000311800000000 ]  - [  -0.0047311300000000, -0.0047311300000000, -0.0035122300000000 ]  - [   0.0001828600000000,  0.0001828600000000,  0.0000276200000000 ]  - [  -0.0001136000000000,  0.0011922800000000,  0.0000311800000000 ]  - [   0.0000262500000000,  0.0000007600000000, -0.0017334800000000 ]  - [  -0.0000234000000000,  0.0000066600000000, -0.0138046000000000 ]  - [   0.0000067400000000, -0.0000055000000000, -0.0002965400000000 ]  - [  -0.0000047200000000, -0.0000027400000000, -0.0004686000000000 ]  - [  -0.0000007200000000, -0.0000159800000000,  0.0017173300000000 ]  - [  -0.0001345200000000,  0.0000896900000000,  0.0163225600000000 ]  - [  -0.0000204800000000,  0.0000157200000000,  0.0002852100000000 ]  - [   0.0000083500000000,  0.0000113400000000,  0.0005046300000000 ]  - [   0.0000896900000000, -0.0001345200000000,  0.0163225600000000 ]  - [   0.0000113400000000,  0.0000083500000000,  0.0005046300000000 ]  - [  -0.0000159800000000, -0.0000007200000000,  0.0017173300000000 ]  - [   0.0000157200000000, -0.0000204800000000,  0.0002852100000000 ]  - [   0.0000066600000000, -0.0000234000000000, -0.0138046000000000 ]  - [  -0.0000027400000000, -0.0000047200000000, -0.0004686000000000 ]  - [   0.0000007600000000,  0.0000262500000000, -0.0017334800000000 ]  - [  -0.0000055000000000,  0.0000067400000000, -0.0002965400000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006231700000000, -0.0048734000000000,  0.0067680200000000 ]  - [   0.0020149900000000, -0.0003483800000000, -0.0001572200000000 ]  - [  -0.0014171900000000,  0.0011338600000000,  0.0000012700000000 ]  - [   0.0015120100000000, -0.0009292200000000, -0.0000476700000000 ]  - [   0.0032120900000000,  0.0053233400000000, -0.0098504900000000 ]  - [   0.0024634300000000, -0.0002214600000000,  0.0009491600000000 ]  - [  -0.0010266000000000, -0.0010903300000000, -0.0000061700000000 ]  - [   0.0013545300000000,  0.0012735000000000,  0.0001099700000000 ]  - [   0.0031938200000000,  0.0053412700000000,  0.0099466000000000 ]  - [   0.0024790200000000, -0.0002184200000000, -0.0009278700000000 ]  - [  -0.0010200800000000, -0.0011021700000000,  0.0000072400000000 ]  - [   0.0013683300000000,  0.0012606000000000, -0.0001068800000000 ]  - [  -0.0005512100000000, -0.0048837500000000, -0.0067401900000000 ]  - [   0.0020194300000000, -0.0003285500000000,  0.0001641000000000 ]  - [  -0.0013978500000000,  0.0011465300000000, -0.0000011700000000 ]  - [   0.0015196200000000, -0.0009175600000000,  0.0000497200000000 ]  - [  -0.0384126600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0038549500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007025000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007552400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006413400000000,  0.0016296800000000,  0.0002069200000000 ]  - [   0.0006337800000000, -0.0016407300000000,  0.0002107500000000 ]  - [   0.0006413400000000, -0.0016296800000000, -0.0002069200000000 ]  - [   0.0006337800000000,  0.0016407300000000, -0.0002107500000000 ]  - [   0.0032120900000000, -0.0053233400000000,  0.0098504900000000 ]  - [   0.0024634300000000,  0.0002214600000000, -0.0009491600000000 ]  - [  -0.0010266000000000,  0.0010903300000000,  0.0000061700000000 ]  - [   0.0013545300000000, -0.0012735000000000, -0.0001099700000000 ]  - [  -0.0006231700000000,  0.0048734000000000, -0.0067680200000000 ]  - [   0.0020149900000000,  0.0003483800000000,  0.0001572200000000 ]  - [  -0.0014171900000000, -0.0011338600000000, -0.0000012700000000 ]  - [   0.0015120100000000,  0.0009292200000000,  0.0000476700000000 ]  - [  -0.0005512100000000,  0.0048837500000000,  0.0067401900000000 ]  - [   0.0020194300000000,  0.0003285500000000, -0.0001641000000000 ]  - [  -0.0013978500000000, -0.0011465300000000,  0.0000011700000000 ]  - [   0.0015196200000000,  0.0009175600000000, -0.0000497200000000 ]  - [   0.0031938200000000, -0.0053412700000000, -0.0099466000000000 ]  - [   0.0024790200000000,  0.0002184200000000,  0.0009278700000000 ]  - [  -0.0010200800000000,  0.0011021700000000, -0.0000072400000000 ]  - [   0.0013683300000000, -0.0012606000000000,  0.0001068800000000 ]  - [   0.0008369700000000,  0.0012401900000000, -0.0003045600000000 ]  - [   0.0008309100000000, -0.0012408100000000, -0.0003095200000000 ]  - [   0.0008369700000000, -0.0012401900000000,  0.0003045600000000 ]  - [   0.0008309100000000,  0.0012408100000000,  0.0003095200000000 ]  - [   0.0021152200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014821600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007211800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007629700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0092107200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0089757900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000029100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000058300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0054588700000000, -0.0000198400000000,  0.0002871800000000 ]  - [  -0.0016666200000000,  0.0000064900000000,  0.0000044900000000 ]  - [   0.0054588700000000,  0.0000198400000000, -0.0002871800000000 ]  - [  -0.0016666200000000, -0.0000064900000000, -0.0000044900000000 ]  - [   0.0027634900000000, -0.0000128900000000, -0.0004089500000000 ]  - [  -0.0015064400000000,  0.0000012800000000, -0.0000362900000000 ]  - [   0.0027634900000000,  0.0000128900000000,  0.0004089500000000 ]  - [  -0.0015064400000000, -0.0000012800000000,  0.0000362900000000 ]  - [  -0.0011492400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011161300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000028900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000079000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0027817300000000, -0.0030776000000000, -0.0004394500000000 ]  - [  -0.0026911000000000,  0.0051142800000000,  0.0004202500000000 ]  - [  -0.0027072400000000,  0.0051049400000000, -0.0004075900000000 ]  - [  -0.0027485900000000, -0.0030793600000000,  0.0004525100000000 ]  - [  -0.0027072400000000, -0.0051049400000000,  0.0004075900000000 ]  - [  -0.0027485900000000,  0.0030793600000000, -0.0004525100000000 ]  - [  -0.0027817300000000,  0.0030776000000000,  0.0004394500000000 ]  - [  -0.0026911000000000, -0.0051142800000000, -0.0004202500000000 ]  - [   0.0184588700000000,  0.0003505800000000, -0.0002101300000000 ]  - [  -0.0050219800000000, -0.0000642500000000, -0.0000113100000000 ]  - [   0.0026871500000000, -0.0002972700000000, -0.0000002400000000 ]  - [  -0.0026397800000000,  0.0002851300000000, -0.0000017300000000 ]  - [   0.0184588700000000, -0.0003505800000000,  0.0002101300000000 ]  - [  -0.0050219800000000,  0.0000642500000000,  0.0000113100000000 ]  - [   0.0026871500000000,  0.0002972700000000,  0.0000002400000000 ]  - [  -0.0026397800000000, -0.0002851300000000,  0.0000017300000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0111489400000000, -0.0159662700000000,  0.0092634300000000 ]  - [  -0.0011916600000000, -0.0001155800000000, -0.0000270700000000 ]  - [  -0.0002493900000000,  0.0012973900000000, -0.0000276800000000 ]  - [  -0.0011438000000000,  0.0007557400000000,  0.0000857100000000 ]  - [  -0.0159662700000000, -0.0111489400000000,  0.0092634300000000 ]  - [   0.0012973900000000,  0.0002493900000000, -0.0000276800000000 ]  - [  -0.0001155800000000,  0.0011916600000000, -0.0000270700000000 ]  - [   0.0007557400000000,  0.0011438000000000,  0.0000857100000000 ]  - [   0.0159662700000000,  0.0111489400000000,  0.0092634300000000 ]  - [  -0.0012973900000000, -0.0002493900000000, -0.0000276800000000 ]  - [   0.0001155800000000, -0.0011916600000000, -0.0000270700000000 ]  - [  -0.0007557400000000, -0.0011438000000000,  0.0000857100000000 ]  - [  -0.0111489400000000,  0.0159662700000000,  0.0092634300000000 ]  - [   0.0011916600000000,  0.0001155800000000, -0.0000270700000000 ]  - [   0.0002493900000000, -0.0012973900000000, -0.0000276800000000 ]  - [   0.0011438000000000, -0.0007557400000000,  0.0000857100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2436344700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011959000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011959000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008012800000000 ]  - [   0.0002127300000000, -0.0002047500000000, -0.0034801000000000 ]  - [   0.0002047500000000,  0.0002127300000000, -0.0034801000000000 ]  - [  -0.0002047500000000, -0.0002127300000000, -0.0034801000000000 ]  - [  -0.0002127300000000,  0.0002047500000000, -0.0034801000000000 ]  - [   0.0157686100000000, -0.0110306300000000,  0.0093329800000000 ]  - [  -0.0013044800000000,  0.0002268300000000, -0.0000048500000000 ]  - [   0.0001096500000000,  0.0011716900000000, -0.0000188500000000 ]  - [  -0.0007643900000000,  0.0011263800000000,  0.0000890300000000 ]  - [  -0.0110306300000000, -0.0157686100000000,  0.0093329800000000 ]  - [   0.0011716900000000, -0.0001096500000000, -0.0000188500000000 ]  - [   0.0002268300000000,  0.0013044800000000, -0.0000048500000000 ]  - [   0.0011263800000000,  0.0007643900000000,  0.0000890300000000 ]  - [   0.0110306300000000,  0.0157686100000000,  0.0093329800000000 ]  - [  -0.0011716900000000,  0.0001096500000000, -0.0000188500000000 ]  - [  -0.0002268300000000, -0.0013044800000000, -0.0000048500000000 ]  - [  -0.0011263800000000, -0.0007643900000000,  0.0000890300000000 ]  - [  -0.0157686100000000,  0.0110306300000000,  0.0093329800000000 ]  - [   0.0013044800000000, -0.0002268300000000, -0.0000048500000000 ]  - [  -0.0001096500000000, -0.0011716900000000, -0.0000188500000000 ]  - [   0.0007643900000000, -0.0011263800000000,  0.0000890300000000 ]  - [   0.0003017500000000, -0.0003120200000000,  0.0041520700000000 ]  - [   0.0003120200000000,  0.0003017500000000,  0.0041520700000000 ]  - [  -0.0003120200000000, -0.0003017500000000,  0.0041520700000000 ]  - [  -0.0003017500000000,  0.0003120200000000,  0.0041520700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0726508900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011517400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011517400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008426900000000 ]  - [  -0.0000875100000000, -0.0011618900000000,  0.0090232100000000 ]  - [   0.0000875100000000,  0.0011618900000000,  0.0090232100000000 ]  - [  -0.0000038300000000, -0.0000008100000000,  0.0010173800000000 ]  - [   0.0000038300000000,  0.0000008100000000,  0.0010173800000000 ]  - [   0.0011618900000000, -0.0000875100000000,  0.0090232100000000 ]  - [   0.0000008100000000, -0.0000038300000000,  0.0010173800000000 ]  - [  -0.0011618900000000,  0.0000875100000000,  0.0090232100000000 ]  - [  -0.0000008100000000,  0.0000038300000000,  0.0010173800000000 ]  - [   0.0007358600000000,  0.0000283000000000, -0.0055183500000000 ]  - [  -0.0000024100000000, -0.0000010000000000, -0.0010065300000000 ]  - [  -0.0007358600000000, -0.0000283000000000, -0.0055183500000000 ]  - [   0.0000024100000000,  0.0000010000000000, -0.0010065300000000 ]  - [   0.0000283000000000, -0.0007358600000000, -0.0055183500000000 ]  - [  -0.0000283000000000,  0.0007358600000000, -0.0055183500000000 ]  - [  -0.0000010000000000,  0.0000024100000000, -0.0010065300000000 ]  - [   0.0000010000000000, -0.0000024100000000, -0.0010065300000000 ]  - [  -0.0078068900000000, -0.0051909500000000, -0.0000627700000000 ]  - [   0.0051909500000000, -0.0078068900000000, -0.0000627700000000 ]  - [  -0.0051909500000000,  0.0078068900000000, -0.0000627700000000 ]  - [   0.0078068900000000,  0.0051909500000000, -0.0000627700000000 ]  - [   0.0052087400000000,  0.0078453500000000, -0.0000351200000000 ]  - [  -0.0078453500000000,  0.0052087400000000, -0.0000351200000000 ]  - [   0.0078453500000000, -0.0052087400000000, -0.0000351200000000 ]  - [  -0.0052087400000000, -0.0078453500000000, -0.0000351200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0430307500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000028400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000028400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000024700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0369199200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000234400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000234400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000065500000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0037228500000000,  0.0029582000000000, -0.0011932600000000 ]  - [   0.0020783500000000, -0.0056584100000000,  0.0047156000000000 ]  - [  -0.0012334900000000, -0.0003134500000000, -0.0001792200000000 ]  - [   0.0012693100000000,  0.0007248600000000,  0.0001111300000000 ]  - [   0.0083316100000000,  0.0024464400000000, -0.0001735400000000 ]  - [  -0.0043758600000000, -0.0023123800000000,  0.0010045900000000 ]  - [   0.0012906400000000,  0.0004655200000000,  0.0000586500000000 ]  - [  -0.0008957200000000, -0.0001630700000000,  0.0000241900000000 ]  - [  -0.0043696800000000, -0.0023281600000000, -0.0010114600000000 ]  - [   0.0082177000000000,  0.0024949200000000,  0.0003081200000000 ]  - [  -0.0008804500000000, -0.0001680100000000, -0.0000237900000000 ]  - [   0.0012914000000000,  0.0004486100000000, -0.0000538300000000 ]  - [   0.0021352800000000, -0.0056742200000000, -0.0047301100000000 ]  - [  -0.0037108500000000,  0.0029600200000000,  0.0011823600000000 ]  - [   0.0012922300000000,  0.0007288600000000, -0.0001104700000000 ]  - [  -0.0012279900000000, -0.0002960700000000,  0.0001773600000000 ]  - [  -0.0089767000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0092064400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000073500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000025600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0054582500000000, -0.0000163000000000,  0.0011617600000000 ]  - [  -0.0016674300000000,  0.0000019500000000,  0.0000008200000000 ]  - [   0.0054582500000000,  0.0000163000000000, -0.0011617600000000 ]  - [  -0.0016674300000000, -0.0000019500000000, -0.0000008200000000 ]  - [   0.0083316100000000, -0.0024464400000000,  0.0001735400000000 ]  - [  -0.0043758600000000,  0.0023123800000000, -0.0010045900000000 ]  - [   0.0012906400000000, -0.0004655200000000, -0.0000586500000000 ]  - [  -0.0008957200000000,  0.0001630700000000, -0.0000241900000000 ]  - [  -0.0037228500000000, -0.0029582000000000,  0.0011932600000000 ]  - [   0.0020783500000000,  0.0056584100000000, -0.0047156000000000 ]  - [  -0.0012334900000000,  0.0003134500000000,  0.0001792200000000 ]  - [   0.0012693100000000, -0.0007248600000000, -0.0001111300000000 ]  - [   0.0021352800000000,  0.0056742200000000,  0.0047301100000000 ]  - [  -0.0037108500000000, -0.0029600200000000, -0.0011823600000000 ]  - [   0.0012922300000000, -0.0007288600000000,  0.0001104700000000 ]  - [  -0.0012279900000000,  0.0002960700000000, -0.0001773600000000 ]  - [  -0.0043696800000000,  0.0023281600000000,  0.0010114600000000 ]  - [   0.0082177000000000, -0.0024949200000000, -0.0003081200000000 ]  - [  -0.0008804500000000,  0.0001680100000000,  0.0000237900000000 ]  - [   0.0012914000000000, -0.0004486100000000,  0.0000538300000000 ]  - [   0.0027627100000000, -0.0000009200000000, -0.0007358100000000 ]  - [  -0.0015073900000000,  0.0000023500000000,  0.0000023900000000 ]  - [   0.0027627100000000,  0.0000009200000000,  0.0007358100000000 ]  - [  -0.0015073900000000, -0.0000023500000000, -0.0000023900000000 ]  - [  -0.0011253200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011377200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000081400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000039800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0513307500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0064815200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007226000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007788500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0028861200000000, -0.0060221100000000,  0.0001344500000000 ]  - [   0.0028788800000000,  0.0059744900000000,  0.0001306800000000 ]  - [   0.0028861200000000,  0.0060221100000000, -0.0001344500000000 ]  - [   0.0028788800000000, -0.0059744900000000, -0.0001306800000000 ]  - [   0.0005519800000000, -0.0016818600000000, -0.0001710700000000 ]  - [   0.0005610700000000,  0.0016807700000000, -0.0001645800000000 ]  - [   0.0005519800000000,  0.0016818600000000,  0.0001710700000000 ]  - [   0.0005610700000000, -0.0016807700000000,  0.0001645800000000 ]  - [  -0.0058800200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0029596900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007275700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007250600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0115845700000000,  0.0024453100000000, -0.0002248700000000 ]  - [   0.0050569800000000, -0.0004251600000000, -0.0000112600000000 ]  - [  -0.0115664200000000,  0.0023824700000000,  0.0002874600000000 ]  - [   0.0050582700000000, -0.0004108300000000,  0.0000111900000000 ]  - [  -0.0115664200000000, -0.0023824700000000, -0.0002874600000000 ]  - [   0.0050582700000000,  0.0004108300000000, -0.0000111900000000 ]  - [  -0.0115845700000000, -0.0024453100000000,  0.0002248700000000 ]  - [   0.0050569800000000,  0.0004251600000000,  0.0000112600000000 ]  - [   0.0148484300000000, -0.0005651000000000,  0.0172137400000000 ]  - [   0.0147372500000000, -0.0005488200000000, -0.0169869200000000 ]  - [   0.0000457700000000, -0.0000735700000000,  0.0001652500000000 ]  - [   0.0000604400000000, -0.0000766700000000, -0.0001666300000000 ]  - [   0.0148484300000000,  0.0005651000000000, -0.0172137400000000 ]  - [   0.0147372500000000,  0.0005488200000000,  0.0169869200000000 ]  - [   0.0000457700000000,  0.0000735700000000, -0.0001652500000000 ]  - [   0.0000604400000000,  0.0000766700000000,  0.0001666300000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0022115700000000,  0.0014328000000000,  0.0000199500000000 ]  - [   0.0048825500000000,  0.0048825500000000, -0.0035171000000000 ]  - [  -0.0002490900000000, -0.0002490900000000,  0.0000209700000000 ]  - [   0.0014328000000000, -0.0022115700000000,  0.0000199500000000 ]  - [  -0.0008386200000000,  0.0008386200000000,  0.0041880300000000 ]  - [   0.0021608100000000,  0.0009472200000000,  0.0001082300000000 ]  - [  -0.0009472200000000, -0.0021608100000000,  0.0001082300000000 ]  - [   0.0001745600000000, -0.0001745600000000, -0.0000095300000000 ]  - [  -0.0021608100000000, -0.0009472200000000,  0.0001082300000000 ]  - [   0.0008386200000000, -0.0008386200000000,  0.0041880300000000 ]  - [  -0.0001745600000000,  0.0001745600000000, -0.0000095300000000 ]  - [   0.0009472200000000,  0.0021608100000000,  0.0001082300000000 ]  - [  -0.0048825500000000, -0.0048825500000000, -0.0035171000000000 ]  - [   0.0022115700000000, -0.0014328000000000,  0.0000199500000000 ]  - [  -0.0014328000000000,  0.0022115700000000,  0.0000199500000000 ]  - [   0.0002490900000000,  0.0002490900000000,  0.0000209700000000 ]  - [   0.0000247300000000, -0.0002858200000000,  0.0090229200000000 ]  - [  -0.0000247300000000,  0.0002858200000000,  0.0090229200000000 ]  - [   0.0000005900000000, -0.0000047400000000,  0.0010167600000000 ]  - [  -0.0000005900000000,  0.0000047400000000,  0.0010167600000000 ]  - [   0.0002858200000000, -0.0000247300000000,  0.0090229200000000 ]  - [   0.0000047400000000, -0.0000005900000000,  0.0010167600000000 ]  - [  -0.0002858200000000,  0.0000247300000000,  0.0090229200000000 ]  - [  -0.0000047400000000,  0.0000005900000000,  0.0010167600000000 ]  - [   0.0010569700000000,  0.0010569700000000,  0.0036965300000000 ]  - [  -0.0021670700000000,  0.0009315000000000,  0.0001010100000000 ]  - [   0.0009315000000000, -0.0021670700000000,  0.0001010100000000 ]  - [  -0.0001884100000000, -0.0001884100000000, -0.0000098200000000 ]  - [   0.0021920400000000,  0.0014450400000000,  0.0000152600000000 ]  - [  -0.0048622300000000,  0.0048622300000000, -0.0035437100000000 ]  - [   0.0002336600000000, -0.0002336600000000,  0.0000205700000000 ]  - [  -0.0014450400000000, -0.0021920400000000,  0.0000152600000000 ]  - [   0.0048622300000000, -0.0048622300000000, -0.0035437100000000 ]  - [  -0.0021920400000000, -0.0014450400000000,  0.0000152600000000 ]  - [   0.0014450400000000,  0.0021920400000000,  0.0000152600000000 ]  - [  -0.0002336600000000,  0.0002336600000000,  0.0000205700000000 ]  - [   0.0021670700000000, -0.0009315000000000,  0.0001010100000000 ]  - [  -0.0010569700000000, -0.0010569700000000,  0.0036965300000000 ]  - [   0.0001884100000000,  0.0001884100000000, -0.0000098200000000 ]  - [  -0.0009315000000000,  0.0021670700000000,  0.0001010100000000 ]  - [   0.0004078900000000,  0.0000048900000000, -0.0055182600000000 ]  - [   0.0000370100000000, -0.0000002600000000, -0.0010065400000000 ]  - [  -0.0004078900000000, -0.0000048900000000, -0.0055182600000000 ]  - [  -0.0000370100000000,  0.0000002600000000, -0.0010065400000000 ]  - [  -0.0000048900000000, -0.0004078900000000, -0.0055182600000000 ]  - [   0.0000048900000000,  0.0004078900000000, -0.0055182600000000 ]  - [   0.0000002600000000, -0.0000370100000000, -0.0010065400000000 ]  - [  -0.0000002600000000,  0.0000370100000000, -0.0010065400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0669321800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013784500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013784500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006108400000000 ]  - [   0.0001225600000000, -0.0001225600000000, -0.0034230400000000 ]  - [   0.0001420000000000,  0.0001420000000000, -0.0034228300000000 ]  - [  -0.0001420000000000, -0.0001420000000000, -0.0034228300000000 ]  - [  -0.0001225600000000,  0.0001225600000000, -0.0034230400000000 ]  - [   0.0001681900000000, -0.0001681900000000,  0.0031515900000000 ]  - [   0.0001673500000000,  0.0001673500000000,  0.0031578800000000 ]  - [  -0.0001673500000000, -0.0001673500000000,  0.0031578800000000 ]  - [  -0.0001681900000000,  0.0001681900000000,  0.0031515900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0171925600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014255300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014255300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006120500000000 ]  - [  -0.0008429600000000,  0.0195077400000000,  0.0042650300000000 ]  - [   0.0001255000000000,  0.0012283400000000, -0.0000003200000000 ]  - [   0.0008429600000000, -0.0195077400000000,  0.0042650300000000 ]  - [  -0.0001255000000000, -0.0012283400000000, -0.0000003200000000 ]  - [  -0.0008442700000000, -0.0196346500000000,  0.0042300000000000 ]  - [   0.0001239300000000, -0.0012292700000000,  0.0000022500000000 ]  - [   0.0008442700000000,  0.0196346500000000,  0.0042300000000000 ]  - [  -0.0001239300000000,  0.0012292700000000,  0.0000022500000000 ]  - [   0.0196346500000000,  0.0008442700000000,  0.0042300000000000 ]  - [  -0.0196346500000000, -0.0008442700000000,  0.0042300000000000 ]  - [   0.0012292700000000, -0.0001239300000000,  0.0000022500000000 ]  - [  -0.0012292700000000,  0.0001239300000000,  0.0000022500000000 ]  - [  -0.0195077400000000,  0.0008429600000000,  0.0042650300000000 ]  - [   0.0195077400000000, -0.0008429600000000,  0.0042650300000000 ]  - [  -0.0012283400000000, -0.0001255000000000, -0.0000003200000000 ]  - [   0.0012283400000000,  0.0001255000000000, -0.0000003200000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0045361100000000,  0.0002587500000000,  0.0000000000000000 ]  - [   0.0043737300000000, -0.0002199700000000,  0.0000000000000000 ]  - [  -0.0027493500000000,  0.0016992900000000,  0.0000000000000000 ]  - [   0.0031401600000000, -0.0018618800000000,  0.0000000000000000 ]  - [   0.0043725500000000,  0.0011719900000000,  0.0000000000000000 ]  - [  -0.0035920500000000, -0.0007837900000000,  0.0000000000000000 ]  - [   0.0025392000000000,  0.0016370100000000,  0.0000000000000000 ]  - [  -0.0035712700000000, -0.0022053900000000,  0.0000000000000000 ]  - [  -0.0035546300000000, -0.0022210200000000,  0.0000000000000000 ]  - [   0.0025445400000000,  0.0016279400000000,  0.0000000000000000 ]  - [  -0.0035662300000000, -0.0007873700000000,  0.0000000000000000 ]  - [   0.0043401900000000,  0.0011137200000000,  0.0000000000000000 ]  - [   0.0031627400000000, -0.0018516700000000,  0.0000000000000000 ]  - [  -0.0027429400000000,  0.0017173100000000,  0.0000000000000000 ]  - [   0.0044418200000000, -0.0002278900000000,  0.0000000000000000 ]  - [  -0.0045250100000000,  0.0002884100000000,  0.0000000000000000 ]  - [  -0.0027672100000000, -0.0051210000000000, -0.0078366100000000 ]  - [  -0.0027056700000000,  0.0030765600000000,  0.0051985600000000 ]  - [  -0.0026939000000000,  0.0030822700000000, -0.0052010700000000 ]  - [  -0.0027658000000000, -0.0050983300000000,  0.0078159300000000 ]  - [   0.0184610900000000, -0.0003490500000000, -0.0003340700000000 ]  - [  -0.0050212000000000,  0.0002979300000000, -0.0000032400000000 ]  - [   0.0026867900000000,  0.0000641000000000, -0.0000007000000000 ]  - [  -0.0026385700000000, -0.0002841200000000,  0.0000012200000000 ]  - [   0.0084111300000000, -0.0091880400000000,  0.0000000000000000 ]  - [  -0.0078526800000000,  0.0043803500000000,  0.0000000000000000 ]  - [   0.0244179300000000, -0.0192042400000000,  0.0000000000000000 ]  - [  -0.0121804600000000,  0.0025270100000000,  0.0000000000000000 ]  - [  -0.0076503200000000, -0.0085363100000000,  0.0000000000000000 ]  - [   0.0038478600000000,  0.0063831300000000,  0.0000000000000000 ]  - [  -0.0123876000000000, -0.0001898700000000,  0.0000000000000000 ]  - [   0.0431820500000000,  0.0096693100000000,  0.0000000000000000 ]  - [   0.0466090300000000,  0.0120341900000000,  0.0000000000000000 ]  - [  -0.0123849900000000, -0.0002465700000000,  0.0000000000000000 ]  - [   0.0038673200000000,  0.0063542800000000,  0.0000000000000000 ]  - [  -0.0076527200000000, -0.0085618700000000,  0.0000000000000000 ]  - [  -0.0121830900000000,  0.0025198300000000,  0.0000000000000000 ]  - [   0.0238451700000000, -0.0179238100000000,  0.0000000000000000 ]  - [  -0.0078391700000000,  0.0044057100000000,  0.0000000000000000 ]  - [   0.0084075900000000, -0.0091512600000000,  0.0000000000000000 ]  - [   0.0184610900000000, -0.0003490500000000,  0.0003340700000000 ]  - [  -0.0050212000000000,  0.0002979300000000,  0.0000032400000000 ]  - [   0.0026867900000000,  0.0000641000000000,  0.0000007000000000 ]  - [  -0.0026385700000000, -0.0002841200000000, -0.0000012200000000 ]  - [  -0.0027672100000000, -0.0051210000000000,  0.0078366100000000 ]  - [  -0.0027056700000000,  0.0030765600000000, -0.0051985600000000 ]  - [  -0.0026939000000000,  0.0030822700000000,  0.0052010700000000 ]  - [  -0.0027658000000000, -0.0050983300000000, -0.0078159300000000 ]  - [  -0.0115846200000000,  0.0005251500000000, -0.0008543700000000 ]  - [   0.0050592400000000,  0.0000802000000000,  0.0001283600000000 ]  - [  -0.0115683800000000,  0.0005894000000000,  0.0008337800000000 ]  - [   0.0050548400000000,  0.0000718400000000, -0.0001229500000000 ]  - [   0.0148621400000000, -0.0024235500000000,  0.0196786900000000 ]  - [   0.0147233500000000, -0.0024046200000000, -0.0194649100000000 ]  - [   0.0000513300000000,  0.0004201800000000,  0.0012279400000000 ]  - [   0.0000567100000000,  0.0004165300000000, -0.0012287300000000 ]  - [   0.0148621400000000, -0.0024235500000000, -0.0196786900000000 ]  - [   0.0147233500000000, -0.0024046200000000,  0.0194649100000000 ]  - [   0.0000513300000000,  0.0004201800000000, -0.0012279400000000 ]  - [   0.0000567100000000,  0.0004165300000000,  0.0012287300000000 ]  - [  -0.0115846200000000,  0.0005251500000000,  0.0008543700000000 ]  - [   0.0050592400000000,  0.0000802000000000, -0.0001283600000000 ]  - [  -0.0115683800000000,  0.0005894000000000, -0.0008337800000000 ]  - [   0.0050548400000000,  0.0000718400000000,  0.0001229500000000 ]  - [  -0.2394424900000000, -0.0000317900000000,  0.0000000000000000 ]  - [   0.0213293800000000, -0.0027125600000000,  0.0000000000000000 ]  - [  -0.0144756000000000,  0.0027142300000000,  0.0000000000000000 ]  - [   0.0121723800000000,  0.0000008700000000,  0.0000000000000000 ]  - [  -0.0094723700000000,  0.0002373100000000,  0.0000000000000000 ]  - [   0.0099690900000000, -0.0008288700000000,  0.0000000000000000 ]  - [  -0.0060575100000000, -0.0008276400000000,  0.0000000000000000 ]  - [   0.0066894500000000,  0.0016544800000000,  0.0000000000000000 ]  - [  -0.0010019700000000,  0.0018078300000000,  0.0000000000000000 ]  - [   0.0007322900000000, -0.0018171000000000,  0.0000000000000000 ]  - [   0.0006991500000000, -0.0018029000000000,  0.0000000000000000 ]  - [  -0.0009513500000000,  0.0018114400000000,  0.0000000000000000 ]  - [   0.0247609200000000,  0.0403292100000000,  0.0000000000000000 ]  - [   0.0247386600000000, -0.0205677000000000,  0.0000000000000000 ]  - [   0.0246884600000000, -0.0206178700000000,  0.0000000000000000 ]  - [   0.0246668100000000,  0.0401368100000000,  0.0000000000000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000118100000000, -0.0000103800000000, -0.0017320500000000 ]  - [   0.0000122100000000, -0.0000231600000000, -0.0138055900000000 ]  - [  -0.0000093800000000, -0.0000054700000000, -0.0002980200000000 ]  - [  -0.0000051500000000, -0.0000049100000000, -0.0004663800000000 ]  - [  -0.0000231600000000, -0.0000122100000000, -0.0138055900000000 ]  - [  -0.0000049100000000,  0.0000051500000000, -0.0004663800000000 ]  - [  -0.0000103800000000,  0.0000118100000000, -0.0017320500000000 ]  - [  -0.0000054700000000,  0.0000093800000000, -0.0002980200000000 ]  - [   0.0000054700000000, -0.0000093800000000, -0.0002980200000000 ]  - [   0.0000103800000000, -0.0000118100000000, -0.0017320500000000 ]  - [   0.0000049100000000, -0.0000051500000000, -0.0004663800000000 ]  - [   0.0000231600000000,  0.0000122100000000, -0.0138055900000000 ]  - [   0.0000051500000000,  0.0000049100000000, -0.0004663800000000 ]  - [   0.0000093800000000,  0.0000054700000000, -0.0002980200000000 ]  - [  -0.0000122100000000,  0.0000231600000000, -0.0138055900000000 ]  - [   0.0000118100000000,  0.0000103800000000, -0.0017320500000000 ]  - [  -0.0004415300000000, -0.0004077800000000, -0.0000282900000000 ]  - [   0.0004077800000000, -0.0004415300000000, -0.0000282900000000 ]  - [  -0.0004077800000000,  0.0004415300000000, -0.0000282900000000 ]  - [   0.0004415300000000,  0.0004077800000000, -0.0000282900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0430787400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000057000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000057000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000021000000000 ]  - [  -0.0000106400000000,  0.0000039500000000,  0.0017160600000000 ]  - [  -0.0000087700000000, -0.0000074800000000,  0.0002864800000000 ]  - [  -0.0001706600000000,  0.0002696800000000,  0.0163261800000000 ]  - [  -0.0000110200000000, -0.0000057200000000,  0.0005024200000000 ]  - [  -0.0000074800000000,  0.0000087700000000,  0.0002864800000000 ]  - [  -0.0000057200000000,  0.0000110200000000,  0.0005024200000000 ]  - [   0.0000039500000000,  0.0000106400000000,  0.0017160600000000 ]  - [   0.0002696800000000,  0.0001706600000000,  0.0163261800000000 ]  - [  -0.0002696800000000, -0.0001706600000000,  0.0163261800000000 ]  - [  -0.0000039500000000, -0.0000106400000000,  0.0017160600000000 ]  - [   0.0000057200000000, -0.0000110200000000,  0.0005024200000000 ]  - [   0.0000074800000000, -0.0000087700000000,  0.0002864800000000 ]  - [   0.0000110200000000,  0.0000057200000000,  0.0005024200000000 ]  - [   0.0001706600000000, -0.0002696800000000,  0.0163261800000000 ]  - [   0.0000087700000000,  0.0000074800000000,  0.0002864800000000 ]  - [   0.0000106400000000, -0.0000039500000000,  0.0017160600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0368879200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000153100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000153100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000075400000000 ]  - [   0.0004496500000000,  0.0004192000000000, -0.0000698400000000 ]  - [  -0.0004192000000000,  0.0004496500000000, -0.0000698400000000 ]  - [   0.0004192000000000, -0.0004496500000000, -0.0000698400000000 ]  - [  -0.0004496500000000, -0.0004192000000000, -0.0000698400000000 ]  - [  -0.0002546100000000,  0.0171784200000000,  0.0042327200000000 ]  - [  -0.0000107900000000,  0.0001657200000000, -0.0000009100000000 ]  - [   0.0002546100000000, -0.0171784200000000,  0.0042327200000000 ]  - [   0.0000107900000000, -0.0001657200000000, -0.0000009100000000 ]  - [   0.0171784200000000,  0.0002546100000000,  0.0042327200000000 ]  - [  -0.0171784200000000, -0.0002546100000000,  0.0042327200000000 ]  - [   0.0001657200000000,  0.0000107900000000, -0.0000009100000000 ]  - [  -0.0001657200000000, -0.0000107900000000, -0.0000009100000000 ]  - [  -0.0170258800000000, -0.0002578200000000,  0.0042621300000000 ]  - [   0.0170258800000000,  0.0002578200000000,  0.0042621300000000 ]  - [  -0.0001639000000000, -0.0000119100000000,  0.0000033300000000 ]  - [   0.0001639000000000,  0.0000119100000000,  0.0000033300000000 ]  - [   0.0002578200000000, -0.0170258800000000,  0.0042621300000000 ]  - [   0.0000119100000000, -0.0001639000000000,  0.0000033300000000 ]  - [  -0.0002578200000000,  0.0170258800000000,  0.0042621300000000 ]  - [  -0.0000119100000000,  0.0001639000000000,  0.0000033300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2379342600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017067400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017067400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000378700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1153223400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017024500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017024500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000559700000000 ]  - [   0.0000218200000000,  0.0000178400000000,  0.0018295200000000 ]  - [  -0.0000178400000000,  0.0000218200000000,  0.0018295200000000 ]  - [   0.0000178400000000, -0.0000218200000000,  0.0018295200000000 ]  - [  -0.0000218200000000, -0.0000178400000000,  0.0018295200000000 ]  - [  -0.0000436400000000, -0.0000574500000000, -0.0020859300000000 ]  - [   0.0000574500000000, -0.0000436400000000, -0.0020859300000000 ]  - [  -0.0000574500000000,  0.0000436400000000, -0.0020859300000000 ]  - [   0.0000436400000000,  0.0000574500000000, -0.0020859300000000 ]