# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6307cfed-c5b0-48bb-af01-4b2e81eab5cd/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 Ba2Ta2O7 / Imma (74) / materials id 769571](https://mdr.nims.go.jp/datasets/ec9cc7ec-7919-4e7e-868c-695711313d41)

## 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: "Imma"  number: 74  Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -3.819438400000000,     5.350162635000000,     3.984312405000000 ] # a  - [     3.819438400000000,    -5.350162635000000,     3.984312405000000 ] # b  - [     3.819438400000000,     5.350162635000000,    -3.984312405000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000  - symbol: Ba # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000  - symbol: Ba # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000  - symbol: Ba # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000  - symbol: Ta # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880  - symbol: Ta # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 180.947880  - symbol: Ta # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880  - symbol: Ta # 8    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880  - symbol: O  # 9    coordinates: [  0.799637460000000,  0.228541960000000,  0.191531380000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.801030870000000,  0.710228940000000,  0.090801930000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.414856060000000,  0.164856060000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.880572990000000,  0.289771060000000,  0.590801930000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.537010580000000,  0.608106080000000,  0.308468620000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.462989420000000,  0.771458040000000,  0.071095500000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.799637460000000,  0.608106080000000,  0.571095500000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.200362540000000,  0.391893920000000,  0.428904500000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.462989420000000,  0.391893920000000,  0.691531380000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.537010580000000,  0.228541960000000,  0.928904500000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.119427010000000,  0.710228940000000,  0.409198070000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.585143940000000,  0.835143940000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.198969130000000,  0.289771060000000,  0.909198070000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.200362540000000,  0.771458040000000,  0.808468620000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.093455102977444,     0.125492167575148 ] # a*  - [     0.130909298079006,     0.000000000000000,     0.125492167575148 ] # b*  - [     0.130909298079006,     0.093455102977444,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     7.638876800000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.700325270000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.968624810000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 8    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ta # 9    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 9  - symbol: Ta # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 10  - symbol: Ta # 11    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 11  - symbol: Ta # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 12  - symbol: Ta # 13    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 9  - symbol: Ta # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 10  - symbol: Ta # 15    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 11  - symbol: Ta # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 12  - symbol: O  # 17    coordinates: [  0.810217940000000,  0.381313440000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.090801930000000,  0.710228940000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.750000000000000,  0.664856060000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.500000000000000,  0.090801930000000,  0.789771060000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.189782060000000,  0.118686560000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.189782060000000,  0.881313440000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.189782060000000,  0.381313440000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.810217940000000,  0.618686560000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.810217940000000,  0.881313440000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.810217940000000,  0.118686560000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.500000000000000,  0.909198070000000,  0.210228940000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.500000000000000,  0.250000000000000,  0.335143940000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.909198070000000,  0.289771060000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.189782060000000,  0.618686560000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.310217940000000,  0.881313440000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.590801930000000,  0.210228940000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.250000000000000,  0.164856060000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.590801930000000,  0.289771060000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 35    coordinates: [  0.689782060000000,  0.618686560000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 36    coordinates: [  0.689782060000000,  0.381313440000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 37    coordinates: [  0.689782060000000,  0.881313440000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 38    coordinates: [  0.310217940000000,  0.118686560000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 39    coordinates: [  0.310217940000000,  0.381313440000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 40    coordinates: [  0.310217940000000,  0.618686560000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.409198070000000,  0.710228940000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 42    coordinates: [  0.000000000000000,  0.750000000000000,  0.835143940000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 43    coordinates: [  0.500000000000000,  0.409198070000000,  0.789771060000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 44    coordinates: [  0.689782060000000,  0.118686560000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 30supercell:  lattice:  - [     7.638876800000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    21.400650540000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.968624810000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 5    coordinates: [  0.750000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.750000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 7    coordinates: [  0.250000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 8    coordinates: [  0.250000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 9    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 10    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 11    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 12    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 13    coordinates: [  0.250000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 14    coordinates: [  0.250000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 15    coordinates: [  0.750000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 16    coordinates: [  0.750000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ta # 17    coordinates: [  0.750000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 17  - symbol: Ta # 18    coordinates: [  0.750000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 17  - symbol: Ta # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 19  - symbol: Ta # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 19  - symbol: Ta # 21    coordinates: [  0.250000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 21  - symbol: Ta # 22    coordinates: [  0.250000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 180.947880    reduced_to: 21  - symbol: Ta # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 23  - symbol: Ta # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 23  - symbol: Ta # 25    coordinates: [  0.250000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 17  - symbol: Ta # 26    coordinates: [  0.250000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 17  - symbol: Ta # 27    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 19  - symbol: Ta # 28    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 19  - symbol: Ta # 29    coordinates: [  0.750000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 21  - symbol: Ta # 30    coordinates: [  0.750000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 180.947880    reduced_to: 21  - symbol: Ta # 31    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 23  - symbol: Ta # 32    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 23  - symbol: O  # 33    coordinates: [  0.810217940000000,  0.190656720000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.810217940000000,  0.690656720000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.045400965000000,  0.710228940000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.545400965000000,  0.710228940000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.500000000000000,  0.375000000000000,  0.664856060000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.500000000000000,  0.875000000000000,  0.664856060000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.500000000000000,  0.045400965000000,  0.789771060000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.500000000000000,  0.545400965000000,  0.789771060000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.189782060000000,  0.059343280000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.189782060000000,  0.559343280000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.189782060000000,  0.440656720000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.189782060000000,  0.940656720000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.189782060000000,  0.190656720000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.189782060000000,  0.690656720000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.810217940000000,  0.309343280000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.810217940000000,  0.809343280000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.810217940000000,  0.440656720000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.810217940000000,  0.940656720000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.810217940000000,  0.059343280000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.810217940000000,  0.559343280000000,  0.418324020000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.500000000000000,  0.454599035000000,  0.210228940000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.500000000000000,  0.954599035000000,  0.210228940000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.500000000000000,  0.125000000000000,  0.335143940000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.625000000000000,  0.335143940000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.000000000000000,  0.454599035000000,  0.289771060000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.000000000000000,  0.954599035000000,  0.289771060000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.189782060000000,  0.309343280000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.189782060000000,  0.809343280000000,  0.581675980000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 61    coordinates: [  0.310217940000000,  0.440656720000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 62    coordinates: [  0.310217940000000,  0.940656720000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 63    coordinates: [  0.500000000000000,  0.295400965000000,  0.210228940000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 64    coordinates: [  0.500000000000000,  0.795400965000000,  0.210228940000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 65    coordinates: [  0.000000000000000,  0.125000000000000,  0.164856060000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 66    coordinates: [  0.000000000000000,  0.625000000000000,  0.164856060000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 67    coordinates: [  0.000000000000000,  0.295400965000000,  0.289771060000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 68    coordinates: [  0.000000000000000,  0.795400965000000,  0.289771060000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 69    coordinates: [  0.689782060000000,  0.309343280000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 70    coordinates: [  0.689782060000000,  0.809343280000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 71    coordinates: [  0.689782060000000,  0.190656720000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 72    coordinates: [  0.689782060000000,  0.690656720000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 73    coordinates: [  0.689782060000000,  0.440656720000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 74    coordinates: [  0.689782060000000,  0.940656720000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 75    coordinates: [  0.310217940000000,  0.059343280000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 76    coordinates: [  0.310217940000000,  0.559343280000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 77    coordinates: [  0.310217940000000,  0.190656720000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 78    coordinates: [  0.310217940000000,  0.690656720000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 79    coordinates: [  0.310217940000000,  0.309343280000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 80    coordinates: [  0.310217940000000,  0.809343280000000,  0.918324020000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 81    coordinates: [  0.000000000000000,  0.204599035000000,  0.710228940000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 82    coordinates: [  0.000000000000000,  0.704599035000000,  0.710228940000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 83    coordinates: [  0.000000000000000,  0.375000000000000,  0.835143940000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 84    coordinates: [  0.000000000000000,  0.875000000000000,  0.835143940000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 85    coordinates: [  0.500000000000000,  0.204599035000000,  0.789771060000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 86    coordinates: [  0.500000000000000,  0.704599035000000,  0.789771060000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 87    coordinates: [  0.689782060000000,  0.059343280000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 88    coordinates: [  0.689782060000000,  0.559343280000000,  0.081675980000000 ]    mass: 15.999400    reduced_to: 59displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0588133300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000025600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0030829500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000035300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000038400000000, -0.0000670800000000, -0.0000046800000000 ]  - [   0.0016007500000000,  0.0057119600000000, -0.0038248000000000 ]  - [  -0.0000034700000000,  0.0000660700000000,  0.0000042700000000 ]  - [   0.0015432800000000, -0.0057160300000000,  0.0038435700000000 ]  - [   0.0004535300000000,  0.0000002000000000, -0.0000009800000000 ]  - [   0.0004535300000000, -0.0000002000000000,  0.0000009800000000 ]  - [  -0.0006273500000000, -0.0000034500000000,  0.0000012900000000 ]  - [  -0.0006273500000000,  0.0000034500000000, -0.0000012900000000 ]  - [   0.0015432800000000,  0.0057160300000000, -0.0038435700000000 ]  - [  -0.0000034700000000, -0.0000660700000000, -0.0000042700000000 ]  - [   0.0016007500000000, -0.0057119600000000,  0.0038248000000000 ]  - [  -0.0000038400000000,  0.0000670800000000,  0.0000046800000000 ]  - [  -0.0014252600000000, -0.0132429400000000, -0.0094009700000000 ]  - [  -0.0000030000000000,  0.0000497100000000, -0.0000040000000000 ]  - [  -0.0089817400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000195900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0015002600000000,  0.0133074900000000,  0.0094774700000000 ]  - [  -0.0000031100000000, -0.0000499100000000,  0.0000035000000000 ]  - [   0.0491415300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000145000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000031100000000,  0.0000499100000000, -0.0000035000000000 ]  - [  -0.0015002600000000, -0.0133074900000000, -0.0094774700000000 ]  - [   0.0025453700000000,  0.0000039400000000,  0.0000004100000000 ]  - [   0.0025453700000000, -0.0000039400000000, -0.0000004100000000 ]  - [  -0.0000030000000000, -0.0000497100000000,  0.0000040000000000 ]  - [  -0.0014252600000000,  0.0132429400000000,  0.0094009700000000 ]  - [  -0.0017545300000000, -0.0000005800000000, -0.0000018500000000 ]  - [  -0.0017545300000000,  0.0000005800000000,  0.0000018500000000 ]  - [   0.0010040600000000,  0.0019273300000000,  0.0011243400000000 ]  - [   0.0000934700000000,  0.0000022000000000, -0.0000183900000000 ]  - [  -0.0002966700000000, -0.0000613000000000,  0.0000627400000000 ]  - [  -0.0000080600000000, -0.0000137900000000, -0.0000213200000000 ]  - [  -0.0000161900000000, -0.0000001200000000,  0.0000397400000000 ]  - [  -0.0032365000000000,  0.0000016000000000,  0.0000385800000000 ]  - [  -0.0060343900000000, -0.0000251300000000,  0.0000366000000000 ]  - [   0.0000044500000000, -0.0000139300000000,  0.0000210900000000 ]  - [   0.0012923700000000,  0.0003052500000000, -0.0022159900000000 ]  - [   0.0000088800000000,  0.0000050900000000, -0.0000157500000000 ]  - [   0.0000088800000000, -0.0000050900000000,  0.0000157500000000 ]  - [   0.0012923700000000, -0.0003052500000000,  0.0022159900000000 ]  - [   0.0010337000000000, -0.0019222400000000, -0.0011480200000000 ]  - [   0.0001167200000000,  0.0000075100000000,  0.0000010800000000 ]  - [   0.0000934700000000, -0.0000022000000000,  0.0000183900000000 ]  - [   0.0010040600000000, -0.0019273300000000, -0.0011243400000000 ]  - [  -0.0000147900000000,  0.0000140600000000,  0.0000027000000000 ]  - [   0.0012330100000000,  0.0002880800000000, -0.0021683100000000 ]  - [   0.0012330100000000, -0.0002880800000000,  0.0021683100000000 ]  - [  -0.0000147900000000, -0.0000140600000000, -0.0000027000000000 ]  - [   0.0000044500000000,  0.0000139300000000, -0.0000210900000000 ]  - [  -0.0060343900000000,  0.0000251300000000, -0.0000366000000000 ]  - [  -0.0032365000000000, -0.0000016000000000, -0.0000385800000000 ]  - [  -0.0000161900000000,  0.0000001200000000, -0.0000397400000000 ]  - [  -0.0000080600000000,  0.0000137900000000,  0.0000213200000000 ]  - [  -0.0002966700000000,  0.0000613000000000, -0.0000627400000000 ]  - [   0.0001167200000000, -0.0000075100000000, -0.0000010800000000 ]  - [   0.0010337000000000,  0.0019222400000000,  0.0011480200000000 ]  - [  -0.0000076500000000, -0.0000020700000000, -0.0000128700000000 ]  - [   0.0030733500000000,  0.0003546200000000,  0.0019714700000000 ]  - [  -0.0003725300000000, -0.0000145700000000, -0.0000209700000000 ]  - [  -0.0011697300000000, -0.0000154800000000, -0.0000234600000000 ]  - [   0.0081974700000000,  0.0000117800000000,  0.0000530900000000 ]  - [   0.0000174600000000, -0.0000002400000000,  0.0000390800000000 ]  - [   0.0002387500000000, -0.0000135100000000,  0.0000212000000000 ]  - [   0.0010033600000000, -0.0000149000000000,  0.0000237400000000 ]  - [  -0.0001075800000000,  0.0000127800000000, -0.0000539800000000 ]  - [  -0.0007567300000000, -0.0025806400000000,  0.0005240500000000 ]  - [  -0.0007567300000000,  0.0025806400000000, -0.0005240500000000 ]  - [  -0.0001075800000000, -0.0000127800000000,  0.0000539800000000 ]  - [   0.0000163100000000,  0.0000106200000000, -0.0000051700000000 ]  - [   0.0025603400000000, -0.0005320800000000, -0.0020795700000000 ]  - [   0.0030733500000000, -0.0003546200000000, -0.0019714700000000 ]  - [  -0.0000076500000000,  0.0000020700000000,  0.0000128700000000 ]  - [  -0.0007771600000000, -0.0025820600000000,  0.0005389700000000 ]  - [  -0.0001304700000000,  0.0000223100000000, -0.0000366900000000 ]  - [  -0.0001304700000000, -0.0000223100000000,  0.0000366900000000 ]  - [  -0.0007771600000000,  0.0025820600000000, -0.0005389700000000 ]  - [   0.0010033600000000,  0.0000149000000000, -0.0000237400000000 ]  - [   0.0002387500000000,  0.0000135100000000, -0.0000212000000000 ]  - [   0.0000174600000000,  0.0000002400000000, -0.0000390800000000 ]  - [   0.0081974700000000, -0.0000117800000000, -0.0000530900000000 ]  - [  -0.0011697300000000,  0.0000154800000000,  0.0000234600000000 ]  - [  -0.0003725300000000,  0.0000145700000000,  0.0000209700000000 ]  - [   0.0025603400000000,  0.0005320800000000,  0.0020795700000000 ]  - [   0.0000163100000000, -0.0000106200000000,  0.0000051700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0579619200000000,  0.0377780900000000 ]  - [   0.0000000000000000,  0.0015277200000000,  0.0001099300000000 ]  - [   0.0000000000000000, -0.0046558700000000,  0.0004072800000000 ]  - [   0.0000000000000000,  0.0015050400000000, -0.0000993700000000 ]  - [  -0.0000360800000000,  0.0019592700000000,  0.0000235700000000 ]  - [   0.0057936900000000,  0.0042035200000000, -0.0046259400000000 ]  - [   0.0000360800000000,  0.0019592700000000,  0.0000235700000000 ]  - [  -0.0057936900000000,  0.0042035200000000, -0.0046259400000000 ]  - [   0.0000000000000000,  0.0012506100000000, -0.0000030900000000 ]  - [   0.0000000000000000,  0.0012516900000000,  0.0000005300000000 ]  - [   0.0000000000000000,  0.0029865700000000, -0.0004105500000000 ]  - [   0.0000000000000000,  0.0029707900000000, -0.0004138200000000 ]  - [   0.0058320100000000,  0.0042029800000000, -0.0046611200000000 ]  - [  -0.0000353400000000,  0.0019600100000000,  0.0000236000000000 ]  - [  -0.0058320100000000,  0.0042029800000000, -0.0046611200000000 ]  - [   0.0000353400000000,  0.0019600100000000,  0.0000236000000000 ]  - [  -0.0105793700000000,  0.0025999200000000,  0.0092081400000000 ]  - [   0.0000518400000000,  0.0050211300000000, -0.0001050900000000 ]  - [   0.0000000000000000, -0.0274811700000000, -0.0118658100000000 ]  - [   0.0000000000000000,  0.0052159600000000, -0.0001400300000000 ]  - [   0.0105793700000000,  0.0025999200000000,  0.0092081400000000 ]  - [  -0.0000518400000000,  0.0050211300000000, -0.0001050900000000 ]  - [   0.0000000000000000, -0.0305710100000000, -0.0054258700000000 ]  - [   0.0000000000000000,  0.0052111900000000,  0.0001345500000000 ]  - [   0.0000531400000000,  0.0050208300000000, -0.0001067300000000 ]  - [  -0.0104903700000000,  0.0026132500000000,  0.0091451900000000 ]  - [   0.0000000000000000,  0.0050721400000000, -0.0001917200000000 ]  - [   0.0000000000000000,  0.0050706900000000, -0.0001983900000000 ]  - [  -0.0000531400000000,  0.0050208300000000, -0.0001067300000000 ]  - [   0.0104903700000000,  0.0026132500000000,  0.0091451900000000 ]  - [   0.0000000000000000,  0.0048732500000000, -0.0001191400000000 ]  - [   0.0000000000000000,  0.0048782200000000, -0.0001057000000000 ]  - [  -0.0002465200000000, -0.0012961100000000, -0.0010592200000000 ]  - [  -0.0008371500000000, -0.0021758800000000, -0.0009994900000000 ]  - [   0.0000000000000000,  0.0113807100000000, -0.0109937800000000 ]  - [   0.0000000000000000, -0.0017634100000000, -0.0006067900000000 ]  - [   0.0000000000000000, -0.0010418400000000,  0.0000790600000000 ]  - [   0.0000000000000000,  0.0006347400000000, -0.0012154600000000 ]  - [   0.0000000000000000,  0.0062042100000000, -0.0008846900000000 ]  - [   0.0000000000000000, -0.0017628000000000,  0.0006069700000000 ]  - [   0.0016068000000000,  0.0058802100000000, -0.0030219700000000 ]  - [  -0.0008117200000000, -0.0022919000000000,  0.0010685400000000 ]  - [   0.0008356900000000, -0.0022827600000000,  0.0010868200000000 ]  - [  -0.0015780900000000,  0.0058624700000000, -0.0029927600000000 ]  - [   0.0002465200000000, -0.0012961100000000, -0.0010592200000000 ]  - [   0.0008371500000000, -0.0021758800000000, -0.0009994900000000 ]  - [   0.0008128700000000, -0.0021835500000000, -0.0009799700000000 ]  - [   0.0002261400000000, -0.0013185600000000, -0.0010529900000000 ]  - [  -0.0008356900000000, -0.0022827600000000,  0.0010868200000000 ]  - [   0.0015780900000000,  0.0058624700000000, -0.0029927600000000 ]  - [  -0.0016068000000000,  0.0058802100000000, -0.0030219700000000 ]  - [   0.0008117200000000, -0.0022919000000000,  0.0010685400000000 ]  - [   0.0000000000000000, -0.0017318300000000,  0.0005582700000000 ]  - [   0.0000000000000000,  0.0062199900000000, -0.0009273200000000 ]  - [   0.0000000000000000,  0.0006471200000000, -0.0012963200000000 ]  - [   0.0000000000000000, -0.0010420400000000, -0.0000057800000000 ]  - [   0.0000000000000000, -0.0017328800000000, -0.0005577800000000 ]  - [   0.0000000000000000,  0.0114979500000000, -0.0107894700000000 ]  - [  -0.0008128700000000, -0.0021835500000000, -0.0009799700000000 ]  - [  -0.0002261400000000, -0.0013185600000000, -0.0010529900000000 ]  - [  -0.0008408700000000, -0.0022766700000000, -0.0010682800000000 ]  - [   0.0020574600000000,  0.0099500500000000,  0.0031492500000000 ]  - [   0.0000000000000000, -0.0017456100000000, -0.0006875500000000 ]  - [   0.0000000000000000, -0.0016269100000000, -0.0006914000000000 ]  - [   0.0000000000000000, -0.0012121200000000, -0.0049016700000000 ]  - [   0.0000000000000000, -0.0011435200000000,  0.0001179100000000 ]  - [   0.0000000000000000, -0.0017857900000000,  0.0003848400000000 ]  - [   0.0000000000000000, -0.0018326500000000,  0.0012416800000000 ]  - [  -0.0007499200000000, -0.0023030700000000,  0.0010834700000000 ]  - [  -0.0015738500000000, -0.0017655900000000,  0.0002673000000000 ]  - [   0.0016027900000000, -0.0017507400000000,  0.0002773700000000 ]  - [   0.0007737900000000, -0.0022933800000000,  0.0011017200000000 ]  - [   0.0008408700000000, -0.0022766700000000, -0.0010682800000000 ]  - [  -0.0020574600000000,  0.0099500500000000,  0.0031492500000000 ]  - [  -0.0019757800000000,  0.0100379700000000,  0.0032425500000000 ]  - [   0.0008171200000000, -0.0022854800000000, -0.0010499900000000 ]  - [  -0.0016027900000000, -0.0017507400000000,  0.0002773700000000 ]  - [  -0.0007737900000000, -0.0022933800000000,  0.0011017200000000 ]  - [   0.0007499200000000, -0.0023030700000000,  0.0010834700000000 ]  - [   0.0015738500000000, -0.0017655900000000,  0.0002673000000000 ]  - [   0.0000000000000000, -0.0018101600000000,  0.0012042700000000 ]  - [   0.0000000000000000, -0.0017551100000000,  0.0003372900000000 ]  - [   0.0000000000000000, -0.0011440800000000,  0.0000331900000000 ]  - [   0.0000000000000000, -0.0014606800000000, -0.0050878000000000 ]  - [   0.0000000000000000, -0.0015988700000000, -0.0006454700000000 ]  - [   0.0000000000000000, -0.0017142200000000, -0.0006370100000000 ]  - [   0.0019757800000000,  0.0100379700000000,  0.0032425500000000 ]  - [  -0.0008171200000000, -0.0022854800000000, -0.0010499900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0377939100000000, -0.1012496900000000 ]  - [   0.0000000000000000,  0.0001090300000000,  0.0000099700000000 ]  - [   0.0000000000000000, -0.0004056200000000,  0.0037734000000000 ]  - [   0.0000000000000000,  0.0001000900000000, -0.0000042400000000 ]  - [  -0.0000103700000000,  0.0001783900000000,  0.0000108100000000 ]  - [  -0.0061134200000000, -0.0079516300000000,  0.0012020700000000 ]  - [   0.0000103700000000,  0.0001783900000000,  0.0000108100000000 ]  - [   0.0061134200000000, -0.0079516300000000,  0.0012020700000000 ]  - [   0.0000000000000000, -0.0000005300000000,  0.0006305500000000 ]  - [   0.0000000000000000, -0.0000025800000000,  0.0006365400000000 ]  - [   0.0000000000000000,  0.0004087800000000, -0.0009988700000000 ]  - [   0.0000000000000000,  0.0004166500000000, -0.0010071800000000 ]  - [  -0.0060717700000000, -0.0079168300000000,  0.0012605900000000 ]  - [  -0.0000100000000000,  0.0001796200000000,  0.0000112200000000 ]  - [   0.0060717700000000, -0.0079168300000000,  0.0012605900000000 ]  - [   0.0000100000000000,  0.0001796200000000,  0.0000112200000000 ]  - [  -0.0065210300000000,  0.0080366600000000,  0.0032523900000000 ]  - [   0.0000164000000000,  0.0002826900000000, -0.0000461200000000 ]  - [   0.0000000000000000,  0.0168658900000000,  0.0607276000000000 ]  - [   0.0000000000000000,  0.0003508200000000, -0.0000005700000000 ]  - [   0.0065210300000000,  0.0080366600000000,  0.0032523900000000 ]  - [  -0.0000164000000000,  0.0002826900000000, -0.0000461200000000 ]  - [   0.0000000000000000, -0.0062541700000000, -0.0138868100000000 ]  - [   0.0000000000000000,  0.0003503600000000, -0.0000050400000000 ]  - [   0.0000168600000000,  0.0002829400000000, -0.0000456100000000 ]  - [  -0.0064939900000000,  0.0080103700000000,  0.0034023300000000 ]  - [   0.0000000000000000,  0.0004925400000000, -0.0023871200000000 ]  - [   0.0000000000000000,  0.0004936300000000, -0.0024111700000000 ]  - [  -0.0000168600000000,  0.0002829400000000, -0.0000456100000000 ]  - [   0.0064939900000000,  0.0080103700000000,  0.0034023300000000 ]  - [   0.0000000000000000,  0.0002590200000000,  0.0023747200000000 ]  - [   0.0000000000000000,  0.0002562900000000,  0.0023929300000000 ]  - [  -0.0002231400000000, -0.0013423900000000, -0.0015606200000000 ]  - [  -0.0000404200000000, -0.0001171400000000, -0.0002261500000000 ]  - [   0.0000000000000000, -0.0210561800000000,  0.0182853100000000 ]  - [   0.0000000000000000, -0.0001359500000000, -0.0000677100000000 ]  - [   0.0000000000000000, -0.0000776800000000,  0.0000570800000000 ]  - [   0.0000000000000000, -0.0003225700000000, -0.0006578900000000 ]  - [   0.0000000000000000, -0.0006841400000000,  0.0025265400000000 ]  - [   0.0000000000000000, -0.0001351700000000,  0.0000672700000000 ]  - [  -0.0005059700000000, -0.0011867300000000, -0.0065007900000000 ]  - [  -0.0000417800000000, -0.0001557100000000,  0.0000708200000000 ]  - [   0.0000655300000000, -0.0001467900000000,  0.0000892800000000 ]  - [   0.0004711500000000, -0.0010934200000000, -0.0064896700000000 ]  - [   0.0002231400000000, -0.0013423900000000, -0.0015606200000000 ]  - [   0.0000404200000000, -0.0001171400000000, -0.0002261500000000 ]  - [   0.0000166400000000, -0.0001260700000000, -0.0002069400000000 ]  - [   0.0002010000000000, -0.0013560400000000, -0.0015618700000000 ]  - [  -0.0000655300000000, -0.0001467900000000,  0.0000892800000000 ]  - [  -0.0004711500000000, -0.0010934200000000, -0.0064896700000000 ]  - [   0.0005059700000000, -0.0011867300000000, -0.0065007900000000 ]  - [   0.0000417800000000, -0.0001557100000000,  0.0000708200000000 ]  - [   0.0000000000000000, -0.0001037600000000,  0.0000181400000000 ]  - [   0.0000000000000000, -0.0006783900000000,  0.0025290300000000 ]  - [   0.0000000000000000, -0.0003216100000000, -0.0007171300000000 ]  - [   0.0000000000000000, -0.0000776400000000, -0.0000276200000000 ]  - [   0.0000000000000000, -0.0001048800000000, -0.0000182300000000 ]  - [   0.0000000000000000, -0.0217809600000000,  0.0199569500000000 ]  - [  -0.0000166400000000, -0.0001260700000000, -0.0002069400000000 ]  - [  -0.0002010000000000, -0.0013560400000000, -0.0015618700000000 ]  - [  -0.0000670000000000, -0.0001430200000000, -0.0000809900000000 ]  - [   0.0005150500000000,  0.0020445400000000,  0.0039417600000000 ]  - [   0.0000000000000000, -0.0000920600000000,  0.0001884900000000 ]  - [   0.0000000000000000,  0.0020952600000000,  0.0014826400000000 ]  - [   0.0000000000000000, -0.0025859900000000,  0.0008874800000000 ]  - [   0.0000000000000000, -0.0001219100000000,  0.0000758300000000 ]  - [   0.0000000000000000, -0.0000890800000000, -0.0002987500000000 ]  - [   0.0000000000000000,  0.0019776700000000, -0.0010748500000000 ]  - [  -0.0000156400000000, -0.0001801300000000,  0.0002484900000000 ]  - [  -0.0008151500000000, -0.0015806900000000,  0.0012983500000000 ]  - [   0.0008339000000000, -0.0015607900000000,  0.0013177900000000 ]  - [   0.0000385800000000, -0.0001712300000000,  0.0002687700000000 ]  - [   0.0000670000000000, -0.0001430200000000, -0.0000809900000000 ]  - [  -0.0005150500000000,  0.0020445400000000,  0.0039417600000000 ]  - [  -0.0004887700000000,  0.0021046500000000,  0.0040070000000000 ]  - [   0.0000434500000000, -0.0001516100000000, -0.0000624200000000 ]  - [  -0.0008339000000000, -0.0015607900000000,  0.0013177900000000 ]  - [  -0.0000385800000000, -0.0001712300000000,  0.0002687700000000 ]  - [   0.0000156400000000, -0.0001801300000000,  0.0002484900000000 ]  - [   0.0008151500000000, -0.0015806900000000,  0.0012983500000000 ]  - [   0.0000000000000000,  0.0019958700000000, -0.0011210800000000 ]  - [   0.0000000000000000, -0.0000572200000000, -0.0003506000000000 ]  - [   0.0000000000000000, -0.0001215000000000, -0.0000100300000000 ]  - [   0.0000000000000000, -0.0026807900000000,  0.0007176300000000 ]  - [   0.0000000000000000,  0.0021060100000000,  0.0015166100000000 ]  - [   0.0000000000000000, -0.0000606600000000,  0.0002388800000000 ]  - [   0.0004887700000000,  0.0021046500000000,  0.0040070000000000 ]  - [  -0.0000434500000000, -0.0001516100000000, -0.0000624200000000 ]- atom:    5  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000035600000000, -0.0000360400000000, -0.0000098400000000 ]  - [   0.0015479600000000,  0.0058176600000000, -0.0061057200000000 ]  - [  -0.0000038400000000,  0.0000361500000000, -0.0000088700000000 ]  - [   0.0015962800000000, -0.0058051900000000, -0.0060797900000000 ]  - [  -0.1059605100000000,  0.0000000000000000, -0.0029861000000000 ]  - [  -0.0000195300000000,  0.0000000000000000, -0.0000039100000000 ]  - [   0.0378828600000000,  0.0000000000000000, -0.0039051000000000 ]  - [   0.0000182700000000,  0.0000000000000000, -0.0000030700000000 ]  - [   0.0015962800000000,  0.0058051900000000, -0.0060797900000000 ]  - [  -0.0000038400000000, -0.0000361500000000, -0.0000088700000000 ]  - [   0.0015479600000000, -0.0058176600000000, -0.0061057200000000 ]  - [  -0.0000035600000000,  0.0000360400000000, -0.0000098400000000 ]  - [   0.0012098900000000, -0.0000016300000000,  0.0003154100000000 ]  - [   0.0012098900000000,  0.0000016300000000,  0.0003154100000000 ]  - [  -0.0011367100000000,  0.0000010100000000,  0.0003788200000000 ]  - [  -0.0011367100000000, -0.0000010100000000,  0.0003788200000000 ]  - [  -0.0017210200000000,  0.0000012400000000, -0.0025075700000000 ]  - [  -0.0017210200000000, -0.0000012400000000, -0.0025075700000000 ]  - [   0.0000174700000000, -0.0000908400000000,  0.0000626600000000 ]  - [   0.0015510900000000,  0.0120042400000000,  0.0154861000000000 ]  - [   0.0015774500000000, -0.0000001800000000, -0.0019117200000000 ]  - [   0.0015774500000000,  0.0000001800000000, -0.0019117200000000 ]  - [   0.0000167500000000,  0.0000914800000000,  0.0000604700000000 ]  - [   0.0016357600000000, -0.0119702300000000,  0.0154067600000000 ]  - [   0.0086267100000000,  0.0000000000000000,  0.0049339100000000 ]  - [   0.0000187800000000,  0.0000000000000000,  0.0000027900000000 ]  - [   0.0016357600000000,  0.0119702300000000,  0.0154067600000000 ]  - [   0.0000167500000000, -0.0000914800000000,  0.0000604700000000 ]  - [  -0.0109994600000000,  0.0000000000000000,  0.0094566800000000 ]  - [  -0.0000178700000000,  0.0000000000000000,  0.0000060000000000 ]  - [   0.0015510900000000, -0.0120042400000000,  0.0154861000000000 ]  - [   0.0000174700000000,  0.0000908400000000,  0.0000626600000000 ]  - [   0.0027343000000000,  0.0026494500000000,  0.0006292400000000 ]  - [   0.0000569000000000, -0.0001120200000000,  0.0001251300000000 ]  - [   0.0000050000000000, -0.0000629000000000, -0.0000952700000000 ]  - [   0.0001461600000000, -0.0026146500000000, -0.0021451200000000 ]  - [  -0.0006771800000000,  0.0000000000000000,  0.0034720600000000 ]  - [   0.0000000200000000,  0.0000000000000000,  0.0000438800000000 ]  - [   0.0000056200000000,  0.0000345200000000, -0.0000518900000000 ]  - [   0.0001331200000000,  0.0025916800000000, -0.0021035000000000 ]  - [  -0.0000685900000000,  0.0000705200000000,  0.0001002900000000 ]  - [  -0.0024316500000000, -0.0020569100000000,  0.0005300800000000 ]  - [  -0.0035942800000000,  0.0011633500000000, -0.0030091200000000 ]  - [   0.0000041400000000,  0.0000055100000000,  0.0000043200000000 ]  - [  -0.0024316500000000,  0.0020569100000000,  0.0005300800000000 ]  - [  -0.0000685900000000, -0.0000705200000000,  0.0001002900000000 ]  - [   0.0049264000000000, -0.0011473800000000, -0.0056107700000000 ]  - [  -0.0000043000000000, -0.0000073100000000,  0.0000027800000000 ]  - [   0.0049264000000000,  0.0011473800000000, -0.0056107700000000 ]  - [  -0.0000043000000000,  0.0000073100000000,  0.0000027800000000 ]  - [   0.0000569000000000,  0.0001120200000000,  0.0001251300000000 ]  - [   0.0027343000000000, -0.0026494500000000,  0.0006292400000000 ]  - [   0.0127686400000000, -0.0091699200000000, -0.0018036600000000 ]  - [  -0.0000025500000000, -0.0000136500000000, -0.0000144500000000 ]  - [   0.0000114500000000, -0.0003726400000000, -0.0000564400000000 ]  - [   0.0000114500000000,  0.0003726400000000, -0.0000564400000000 ]  - [   0.0133552900000000,  0.0098253000000000, -0.0016161200000000 ]  - [  -0.0000026200000000,  0.0000422300000000,  0.0000302300000000 ]  - [  -0.0035942800000000, -0.0011633500000000, -0.0030091200000000 ]  - [   0.0000041400000000, -0.0000055100000000,  0.0000043200000000 ]  - [  -0.0036249800000000, -0.0011662800000000, -0.0030026700000000 ]  - [  -0.0000196300000000,  0.0000022100000000, -0.0000142500000000 ]  - [   0.0127686400000000,  0.0091699200000000, -0.0018036600000000 ]  - [  -0.0000025500000000,  0.0000136500000000, -0.0000144500000000 ]  - [   0.0000113000000000,  0.0003741300000000,  0.0000202700000000 ]  - [   0.0000113000000000, -0.0003741300000000,  0.0000202700000000 ]  - [   0.0133552900000000, -0.0098253000000000, -0.0016161200000000 ]  - [  -0.0000026200000000, -0.0000422300000000,  0.0000302300000000 ]  - [   0.0048888000000000,  0.0011073500000000, -0.0056453100000000 ]  - [   0.0000193900000000, -0.0000004100000000, -0.0000168800000000 ]  - [   0.0027466500000000, -0.0026362000000000,  0.0006513400000000 ]  - [   0.0000813200000000,  0.0001197300000000,  0.0001425100000000 ]  - [   0.0048888000000000, -0.0011073500000000, -0.0056453100000000 ]  - [   0.0000193900000000,  0.0000004100000000, -0.0000168800000000 ]  - [  -0.0000920500000000, -0.0000791200000000,  0.0001187100000000 ]  - [  -0.0024645800000000,  0.0020534800000000,  0.0005509100000000 ]  - [  -0.0024645800000000, -0.0020534800000000,  0.0005509100000000 ]  - [  -0.0000920500000000,  0.0000791200000000,  0.0001187100000000 ]  - [  -0.0036249800000000,  0.0011662800000000, -0.0030026700000000 ]  - [  -0.0000196300000000, -0.0000022100000000, -0.0000142500000000 ]  - [   0.0001461600000000,  0.0026146500000000, -0.0021451200000000 ]  - [   0.0000050000000000,  0.0000629000000000, -0.0000952700000000 ]  - [  -0.0006257000000000,  0.0000000000000000,  0.0034025300000000 ]  - [   0.0000000700000000,  0.0000000000000000, -0.0000338100000000 ]  - [   0.0001331200000000, -0.0025916800000000, -0.0021035000000000 ]  - [   0.0000056200000000, -0.0000345200000000, -0.0000518900000000 ]  - [   0.0000813200000000, -0.0001197300000000,  0.0001425100000000 ]  - [   0.0027466500000000,  0.0026362000000000,  0.0006513400000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000650500000000,  0.0019599900000000,  0.0001772300000000 ]  - [   0.0057378500000000,  0.0042037000000000, -0.0079677200000000 ]  - [   0.0000650500000000,  0.0019599900000000, -0.0001772300000000 ]  - [  -0.0057378500000000,  0.0042037000000000,  0.0079677200000000 ]  - [   0.0000000000000000, -0.0853509400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0025577200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0158714200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0025200700000000,  0.0000000000000000 ]  - [   0.0056905600000000,  0.0042037800000000, -0.0079007800000000 ]  - [  -0.0000663900000000,  0.0019597100000000,  0.0001797300000000 ]  - [  -0.0056905600000000,  0.0042037800000000,  0.0079007800000000 ]  - [   0.0000663900000000,  0.0019597100000000, -0.0001797300000000 ]  - [   0.0000000000000000,  0.0020702800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0020664700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0022921900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0022891700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0086431000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0086783200000000,  0.0000000000000000 ]  - [  -0.0002863700000000,  0.0067565200000000, -0.0003396400000000 ]  - [   0.0071423800000000,  0.0050012900000000,  0.0158366600000000 ]  - [   0.0000000000000000,  0.0058599800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0058436000000000,  0.0000000000000000 ]  - [   0.0002863700000000,  0.0067565200000000,  0.0003396400000000 ]  - [  -0.0071423800000000,  0.0050012900000000, -0.0158366600000000 ]  - [   0.0000000000000000, -0.0188003900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0064854000000000,  0.0000000000000000 ]  - [   0.0070658500000000,  0.0050293900000000,  0.0157468300000000 ]  - [  -0.0002920900000000,  0.0067544000000000, -0.0003470200000000 ]  - [   0.0000000000000000, -0.0341996100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0065146300000000,  0.0000000000000000 ]  - [  -0.0070658500000000,  0.0050293900000000, -0.0157468300000000 ]  - [   0.0002920900000000,  0.0067544000000000,  0.0003470200000000 ]  - [   0.0000805200000000, -0.0035938900000000,  0.0001394600000000 ]  - [  -0.0012034100000000, -0.0033938000000000, -0.0015671700000000 ]  - [   0.0000882700000000, -0.0021255000000000, -0.0006829000000000 ]  - [  -0.0002044700000000, -0.0014052600000000, -0.0010274100000000 ]  - [  -0.0000111700000000,  0.0051329400000000,  0.0000479300000000 ]  - [   0.0000000200000000, -0.0013797700000000,  0.0000391300000000 ]  - [  -0.0000882700000000, -0.0021255000000000,  0.0006829000000000 ]  - [   0.0002044700000000, -0.0014052600000000,  0.0010274100000000 ]  - [  -0.0009776800000000, -0.0027585100000000,  0.0012881400000000 ]  - [  -0.0006219700000000, -0.0018719400000000,  0.0003572500000000 ]  - [  -0.0031319500000000,  0.0070148600000000, -0.0050134700000000 ]  - [   0.0010894900000000, -0.0029445800000000,  0.0013963300000000 ]  - [   0.0006534600000000, -0.0018811900000000, -0.0003837600000000 ]  - [   0.0009989000000000, -0.0027466000000000, -0.0013056300000000 ]  - [  -0.0017901400000000,  0.0098412100000000,  0.0091627400000000 ]  - [   0.0010387800000000, -0.0029615500000000, -0.0013873100000000 ]  - [   0.0018180300000000,  0.0099341400000000, -0.0091062300000000 ]  - [  -0.0010618200000000, -0.0029540800000000,  0.0014075300000000 ]  - [   0.0011777600000000, -0.0033936600000000,  0.0015465500000000 ]  - [  -0.0001212900000000, -0.0036223700000000, -0.0001772500000000 ]  - [  -0.0106457300000000,  0.0128419400000000,  0.0006750200000000 ]  - [  -0.0000431400000000, -0.0022548200000000,  0.0007151400000000 ]  - [  -0.0004376500000000, -0.0014220700000000, -0.0000506400000000 ]  - [   0.0004455700000000, -0.0014235400000000, -0.0000280100000000 ]  - [   0.0106457300000000,  0.0128419400000000, -0.0006750200000000 ]  - [   0.0000431400000000, -0.0022548200000000, -0.0007151400000000 ]  - [   0.0031474000000000,  0.0069867900000000,  0.0050228400000000 ]  - [  -0.0010665900000000, -0.0029522200000000, -0.0013772900000000 ]  - [   0.0031319500000000,  0.0070148600000000,  0.0050134700000000 ]  - [  -0.0010894900000000, -0.0029445800000000, -0.0013963300000000 ]  - [   0.0101183800000000,  0.0124372500000000, -0.0008625400000000 ]  - [   0.0000439200000000, -0.0022837500000000, -0.0007604300000000 ]  - [   0.0004376500000000, -0.0014220700000000,  0.0000506400000000 ]  - [  -0.0004455700000000, -0.0014235400000000,  0.0000280100000000 ]  - [  -0.0101183800000000,  0.0124372500000000,  0.0008625400000000 ]  - [  -0.0000439200000000, -0.0022837500000000,  0.0007604300000000 ]  - [   0.0017901400000000,  0.0098412100000000, -0.0091627400000000 ]  - [  -0.0010387800000000, -0.0029615500000000,  0.0013873100000000 ]  - [  -0.0000805200000000, -0.0035938900000000, -0.0001394600000000 ]  - [   0.0012034100000000, -0.0033938000000000,  0.0015671700000000 ]  - [  -0.0018180300000000,  0.0099341400000000,  0.0091062300000000 ]  - [   0.0010618200000000, -0.0029540800000000, -0.0014075300000000 ]  - [   0.0009776800000000, -0.0027585100000000, -0.0012881400000000 ]  - [   0.0006219700000000, -0.0018719400000000, -0.0003572500000000 ]  - [  -0.0006534600000000, -0.0018811900000000,  0.0003837600000000 ]  - [  -0.0009989000000000, -0.0027466000000000,  0.0013056300000000 ]  - [  -0.0031474000000000,  0.0069867900000000, -0.0050228400000000 ]  - [   0.0010665900000000, -0.0029522200000000,  0.0013772900000000 ]  - [   0.0002064700000000, -0.0013928200000000,  0.0009978600000000 ]  - [  -0.0000897100000000, -0.0020952500000000,  0.0006386100000000 ]  - [   0.0000111700000000,  0.0051329400000000, -0.0000479300000000 ]  - [  -0.0000000200000000, -0.0013797700000000, -0.0000391300000000 ]  - [  -0.0002064700000000, -0.0013928200000000, -0.0009978600000000 ]  - [   0.0000897100000000, -0.0020952500000000, -0.0006386100000000 ]  - [  -0.0011777600000000, -0.0033936600000000, -0.0015465500000000 ]  - [   0.0001212900000000, -0.0036223700000000,  0.0001772500000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000045100000000,  0.0000231300000000,  0.0000111200000000 ]  - [  -0.0038272900000000, -0.0046425200000000,  0.0012533300000000 ]  - [  -0.0000044000000000, -0.0000228800000000,  0.0000122900000000 ]  - [  -0.0038404600000000,  0.0046466500000000,  0.0012096600000000 ]  - [  -0.0029824400000000,  0.0000000000000000, -0.0090048300000000 ]  - [  -0.0000043500000000,  0.0000000000000000, -0.0000002300000000 ]  - [   0.0039042800000000,  0.0000000000000000, -0.0049806400000000 ]  - [   0.0000034900000000,  0.0000000000000000,  0.0000001700000000 ]  - [  -0.0038404600000000, -0.0046466500000000,  0.0012096600000000 ]  - [  -0.0000044000000000,  0.0000228800000000,  0.0000122900000000 ]  - [  -0.0038272900000000,  0.0046425200000000,  0.0012533300000000 ]  - [  -0.0000045100000000, -0.0000231300000000,  0.0000111200000000 ]  - [   0.0003155100000000, -0.0000001900000000,  0.0003935800000000 ]  - [   0.0003155100000000,  0.0000001900000000,  0.0003935800000000 ]  - [  -0.0003789400000000, -0.0000011600000000,  0.0005084100000000 ]  - [  -0.0003789400000000,  0.0000011600000000,  0.0005084100000000 ]  - [  -0.0006288800000000,  0.0000044000000000, -0.0026135800000000 ]  - [  -0.0006288800000000, -0.0000044000000000, -0.0026135800000000 ]  - [   0.0000210000000000, -0.0000383400000000,  0.0000291500000000 ]  - [   0.0070165600000000,  0.0092267900000000,  0.0030229500000000 ]  - [   0.0004766400000000, -0.0000015600000000, -0.0019382600000000 ]  - [   0.0004766400000000,  0.0000015600000000, -0.0019382600000000 ]  - [   0.0000218400000000,  0.0000388600000000,  0.0000264700000000 ]  - [   0.0069626200000000, -0.0091829800000000,  0.0031084400000000 ]  - [  -0.0033658700000000,  0.0000000000000000,  0.0079107200000000 ]  - [  -0.0000003700000000,  0.0000000000000000, -0.0000056200000000 ]  - [   0.0069626200000000,  0.0091829800000000,  0.0031084400000000 ]  - [   0.0000218400000000, -0.0000388600000000,  0.0000264700000000 ]  - [  -0.0025189800000000,  0.0000000000000000,  0.0409916800000000 ]  - [   0.0000015600000000,  0.0000000000000000, -0.0000117000000000 ]  - [   0.0070165600000000, -0.0092267900000000,  0.0030229500000000 ]  - [   0.0000210000000000,  0.0000383400000000,  0.0000291500000000 ]  - [   0.0005657400000000,  0.0022013300000000,  0.0010888000000000 ]  - [   0.0000082900000000, -0.0000446100000000,  0.0001622000000000 ]  - [  -0.0000128400000000, -0.0000403400000000, -0.0000674000000000 ]  - [  -0.0005034400000000, -0.0013900500000000, -0.0020337500000000 ]  - [   0.0021516100000000,  0.0000000000000000, -0.0063230600000000 ]  - [  -0.0000001900000000,  0.0000000000000000,  0.0000396300000000 ]  - [  -0.0000134800000000,  0.0000121000000000, -0.0000242700000000 ]  - [  -0.0004995500000000,  0.0013685300000000, -0.0020093400000000 ]  - [  -0.0000167800000000, -0.0000011600000000,  0.0001340100000000 ]  - [  -0.0010245000000000, -0.0016165300000000,  0.0009365000000000 ]  - [  -0.0010298100000000,  0.0008472500000000, -0.0018901200000000 ]  - [   0.0000139700000000, -0.0000013900000000,  0.0000112900000000 ]  - [  -0.0010245000000000,  0.0016165300000000,  0.0009365000000000 ]  - [  -0.0000167800000000,  0.0000011600000000,  0.0001340100000000 ]  - [  -0.0005612700000000,  0.0002026200000000, -0.0074097800000000 ]  - [  -0.0000161400000000,  0.0000037000000000,  0.0000112600000000 ]  - [  -0.0005612700000000, -0.0002026200000000, -0.0074097800000000 ]  - [  -0.0000161400000000, -0.0000037000000000,  0.0000112600000000 ]  - [   0.0000082900000000,  0.0000446100000000,  0.0001622000000000 ]  - [   0.0005657400000000, -0.0022013300000000,  0.0010888000000000 ]  - [  -0.0002356400000000,  0.0003376000000000,  0.0005895500000000 ]  - [  -0.0000040300000000,  0.0000024100000000, -0.0000124400000000 ]  - [   0.0000069400000000,  0.0001235600000000,  0.0003967800000000 ]  - [   0.0000069400000000, -0.0001235600000000,  0.0003967800000000 ]  - [  -0.0003671600000000, -0.0003841900000000,  0.0006693300000000 ]  - [  -0.0000038000000000,  0.0000260000000000,  0.0000320300000000 ]  - [  -0.0010298100000000, -0.0008472500000000, -0.0018901200000000 ]  - [   0.0000139700000000,  0.0000013900000000,  0.0000112900000000 ]  - [  -0.0010553400000000, -0.0008520400000000, -0.0019264200000000 ]  - [  -0.0000100800000000,  0.0000093200000000, -0.0000072000000000 ]  - [  -0.0002356400000000, -0.0003376000000000,  0.0005895500000000 ]  - [  -0.0000040300000000, -0.0000024100000000, -0.0000124400000000 ]  - [   0.0000088000000000, -0.0001222800000000,  0.0004740200000000 ]  - [   0.0000088000000000,  0.0001222800000000,  0.0004740200000000 ]  - [  -0.0003671600000000,  0.0003841900000000,  0.0006693300000000 ]  - [  -0.0000038000000000, -0.0000260000000000,  0.0000320300000000 ]  - [  -0.0005708600000000, -0.0002325400000000, -0.0076194700000000 ]  - [   0.0000076500000000, -0.0000116900000000, -0.0000083500000000 ]  - [   0.0005909400000000, -0.0021939800000000,  0.0010980300000000 ]  - [   0.0000318700000000,  0.0000536800000000,  0.0001795400000000 ]  - [  -0.0005708600000000,  0.0002325400000000, -0.0076194700000000 ]  - [   0.0000076500000000,  0.0000116900000000, -0.0000083500000000 ]  - [  -0.0000415400000000, -0.0000058000000000,  0.0001534000000000 ]  - [  -0.0010448500000000,  0.0016019200000000,  0.0009509700000000 ]  - [  -0.0010448500000000, -0.0016019200000000,  0.0009509700000000 ]  - [  -0.0000415400000000,  0.0000058000000000,  0.0001534000000000 ]  - [  -0.0010553400000000,  0.0008520400000000, -0.0019264200000000 ]  - [  -0.0000100800000000, -0.0000093200000000, -0.0000072000000000 ]  - [  -0.0005034400000000,  0.0013900500000000, -0.0020337500000000 ]  - [  -0.0000128400000000,  0.0000403400000000, -0.0000674000000000 ]  - [   0.0021058500000000,  0.0000000000000000, -0.0063842900000000 ]  - [  -0.0000001600000000,  0.0000000000000000, -0.0000373300000000 ]  - [  -0.0004995500000000, -0.0013685300000000, -0.0020093400000000 ]  - [  -0.0000134800000000, -0.0000121000000000, -0.0000242700000000 ]  - [   0.0000318700000000, -0.0000536800000000,  0.0001795400000000 ]  - [   0.0005909400000000,  0.0021939800000000,  0.0010980300000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0014625000000000, -0.0105931600000000, -0.0065382500000000 ]  - [  -0.0000028100000000,  0.0000536500000000,  0.0000187600000000 ]  - [  -0.0014627400000000,  0.0104764900000000, -0.0064748500000000 ]  - [  -0.0000018300000000, -0.0000533000000000,  0.0000187100000000 ]  - [  -0.0017195800000000, -0.0000020900000000, -0.0006265000000000 ]  - [  -0.0017195800000000,  0.0000020900000000, -0.0006265000000000 ]  - [   0.0015757300000000,  0.0000010900000000, -0.0004745600000000 ]  - [   0.0015757300000000, -0.0000010900000000, -0.0004745600000000 ]  - [  -0.0014627400000000, -0.0104764900000000, -0.0064748500000000 ]  - [  -0.0000018300000000,  0.0000533000000000,  0.0000187100000000 ]  - [  -0.0014625000000000,  0.0105931600000000, -0.0065382500000000 ]  - [  -0.0000028100000000, -0.0000536500000000,  0.0000187600000000 ]  - [   0.0086277300000000,  0.0000000000000000, -0.0033658400000000 ]  - [   0.0000194200000000,  0.0000000000000000,  0.0000022600000000 ]  - [  -0.0110008000000000,  0.0000000000000000,  0.0025191800000000 ]  - [  -0.0000199700000000,  0.0000000000000000,  0.0000006800000000 ]  - [  -0.2028527100000000,  0.0000000000000000, -0.0148601100000000 ]  - [  -0.0000078500000000,  0.0000000000000000,  0.0000461600000000 ]  - [   0.0139876800000000, -0.0164019700000000,  0.0086520800000000 ]  - [   0.0000046500000000,  0.0000528300000000, -0.0000556400000000 ]  - [   0.1727160900000000,  0.0000000000000000,  0.0477660000000000 ]  - [   0.0000135000000000,  0.0000000000000000,  0.0000266200000000 ]  - [   0.0140490000000000,  0.0164391400000000,  0.0086835400000000 ]  - [   0.0000077900000000, -0.0000529500000000, -0.0000562400000000 ]  - [   0.0022230400000000, -0.0000015000000000,  0.0028283900000000 ]  - [   0.0022230400000000,  0.0000015000000000,  0.0028283900000000 ]  - [   0.0140490000000000, -0.0164391400000000,  0.0086835400000000 ]  - [   0.0000077900000000,  0.0000529500000000, -0.0000562400000000 ]  - [  -0.0019463000000000, -0.0000009900000000,  0.0026707800000000 ]  - [  -0.0019463000000000,  0.0000009900000000,  0.0026707800000000 ]  - [   0.0139876800000000,  0.0164019700000000,  0.0086520800000000 ]  - [   0.0000046500000000, -0.0000528300000000, -0.0000556400000000 ]  - [   0.0137905300000000,  0.0048642800000000,  0.0075170100000000 ]  - [  -0.0000171900000000, -0.0000211800000000, -0.0000221100000000 ]  - [  -0.0013434900000000, -0.0000819600000000, -0.0013884500000000 ]  - [  -0.0000014400000000, -0.0000360100000000, -0.0000175600000000 ]  - [  -0.0000710100000000,  0.0006522200000000,  0.0001799500000000 ]  - [  -0.0000710100000000, -0.0006522200000000,  0.0001799500000000 ]  - [  -0.0013510100000000,  0.0000558400000000, -0.0013687700000000 ]  - [  -0.0000013900000000,  0.0000080000000000,  0.0000254100000000 ]  - [  -0.0159435500000000, -0.0026353900000000, -0.0024775800000000 ]  - [   0.0000074500000000,  0.0000080100000000, -0.0000151700000000 ]  - [  -0.0001494500000000,  0.0000169600000000, -0.0002045300000000 ]  - [  -0.0036200200000000,  0.0034290600000000, -0.0021536800000000 ]  - [  -0.0159435500000000,  0.0026353900000000, -0.0024775800000000 ]  - [   0.0000074500000000, -0.0000080100000000, -0.0000151700000000 ]  - [   0.0019912400000000, -0.0031479800000000, -0.0021668200000000 ]  - [   0.0000929500000000,  0.0000353400000000, -0.0001674900000000 ]  - [   0.0000929500000000, -0.0000353400000000, -0.0001674900000000 ]  - [   0.0019912400000000,  0.0031479800000000, -0.0021668200000000 ]  - [   0.0137905300000000, -0.0048642800000000,  0.0075170100000000 ]  - [  -0.0000171900000000,  0.0000211800000000, -0.0000221100000000 ]  - [  -0.0000302800000000, -0.0000553200000000,  0.0000559300000000 ]  - [  -0.0011299400000000, -0.0036205100000000,  0.0005479800000000 ]  - [   0.0008255900000000,  0.0000000000000000, -0.0233775000000000 ]  - [  -0.0000007500000000,  0.0000000000000000, -0.0000525500000000 ]  - [  -0.0000304800000000,  0.0000850400000000,  0.0001008100000000 ]  - [  -0.0011151900000000,  0.0036378700000000,  0.0005747000000000 ]  - [  -0.0036200200000000, -0.0034290600000000, -0.0021536800000000 ]  - [  -0.0001494500000000, -0.0000169600000000, -0.0002045300000000 ]  - [  -0.0001751100000000, -0.0000118800000000, -0.0002245300000000 ]  - [  -0.0036421000000000, -0.0034147100000000, -0.0021674500000000 ]  - [  -0.0011299400000000,  0.0036205100000000,  0.0005479800000000 ]  - [  -0.0000302800000000,  0.0000553200000000,  0.0000559300000000 ]  - [   0.0062760600000000,  0.0000000000000000, -0.0253240600000000 ]  - [  -0.0000005700000000,  0.0000000000000000,  0.0000258200000000 ]  - [  -0.0011151900000000, -0.0036378700000000,  0.0005747000000000 ]  - [  -0.0000304800000000, -0.0000850400000000,  0.0001008100000000 ]  - [   0.0020241800000000,  0.0031435700000000, -0.0021890600000000 ]  - [   0.0001155400000000, -0.0000448000000000, -0.0001874300000000 ]  - [   0.0141307900000000, -0.0051766300000000,  0.0077885400000000 ]  - [   0.0000077800000000,  0.0000290500000000, -0.0000049700000000 ]  - [   0.0001155400000000,  0.0000448000000000, -0.0001874300000000 ]  - [   0.0020241800000000, -0.0031435700000000, -0.0021890600000000 ]  - [  -0.0160020600000000,  0.0025925900000000, -0.0024936400000000 ]  - [  -0.0000166400000000, -0.0000168600000000,  0.0000032600000000 ]  - [  -0.0160020600000000, -0.0025925900000000, -0.0024936400000000 ]  - [  -0.0000166400000000,  0.0000168600000000,  0.0000032600000000 ]  - [  -0.0036421000000000,  0.0034147100000000, -0.0021674500000000 ]  - [  -0.0001751100000000,  0.0000118800000000, -0.0002245300000000 ]  - [  -0.0013434900000000,  0.0000819600000000, -0.0013884500000000 ]  - [  -0.0000014400000000,  0.0000360100000000, -0.0000175600000000 ]  - [  -0.0000700600000000, -0.0006557200000000,  0.0001061300000000 ]  - [  -0.0000700600000000,  0.0006557200000000,  0.0001061300000000 ]  - [  -0.0013510100000000, -0.0000558400000000, -0.0013687700000000 ]  - [  -0.0000013900000000, -0.0000080000000000,  0.0000254100000000 ]  - [   0.0141307900000000,  0.0051766300000000,  0.0077885400000000 ]  - [   0.0000077800000000, -0.0000290500000000, -0.0000049700000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0132236400000000,  0.0025802900000000,  0.0079743700000000 ]  - [   0.0000501300000000,  0.0050222500000000,  0.0002828800000000 ]  - [   0.0132236400000000,  0.0025802900000000, -0.0079743700000000 ]  - [  -0.0000501300000000,  0.0050222500000000, -0.0002828800000000 ]  - [   0.0000000000000000,  0.0086702600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0086488600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0058543200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0058509400000000,  0.0000000000000000 ]  - [  -0.0133270300000000,  0.0026340200000000,  0.0080717400000000 ]  - [   0.0000500300000000,  0.0050219200000000,  0.0002838100000000 ]  - [   0.0133270300000000,  0.0026340200000000, -0.0080717400000000 ]  - [  -0.0000500300000000,  0.0050219200000000, -0.0002838100000000 ]  - [   0.0000000000000000, -0.0188007800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0064835200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0342001700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0065159400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.2928666500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0168718300000000,  0.0000000000000000 ]  - [  -0.0474989700000000,  0.0227630100000000, -0.0232359200000000 ]  - [   0.0002592900000000,  0.0174014000000000, -0.0002705800000000 ]  - [   0.0000000000000000, -0.0560443700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0167696400000000,  0.0000000000000000 ]  - [   0.0474989700000000,  0.0227630100000000,  0.0232359200000000 ]  - [  -0.0002592900000000,  0.0174014000000000,  0.0002705800000000 ]  - [   0.0000000000000000,  0.0156013500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0156133900000000,  0.0000000000000000 ]  - [  -0.0476424300000000,  0.0227964200000000, -0.0233588500000000 ]  - [   0.0002577600000000,  0.0174006300000000, -0.0002733300000000 ]  - [   0.0000000000000000,  0.0175057300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0175040300000000,  0.0000000000000000 ]  - [   0.0476424300000000,  0.0227964200000000,  0.0233588500000000 ]  - [  -0.0002577600000000,  0.0174006300000000,  0.0002733300000000 ]  - [  -0.0007242300000000,  0.0442772500000000,  0.0238466300000000 ]  - [  -0.0027754600000000, -0.0076708300000000, -0.0035826300000000 ]  - [   0.0054707000000000,  0.0101701800000000,  0.0105514300000000 ]  - [  -0.0000297200000000, -0.0058285100000000, -0.0019796000000000 ]  - [   0.0001603900000000, -0.0032978700000000,  0.0003241800000000 ]  - [  -0.0001569000000000, -0.0033000300000000, -0.0002472300000000 ]  - [  -0.0054707000000000,  0.0101701800000000, -0.0105514300000000 ]  - [   0.0000297200000000, -0.0058285100000000,  0.0019796000000000 ]  - [   0.0122066400000000,  0.0186529100000000, -0.0099718400000000 ]  - [  -0.0027508700000000, -0.0076199600000000,  0.0035372300000000 ]  - [   0.0027428800000000, -0.0072489800000000,  0.0033539000000000 ]  - [   0.0057975500000000, -0.0073010400000000,  0.0046793600000000 ]  - [  -0.0122053300000000,  0.0186919600000000,  0.0099873600000000 ]  - [   0.0027737300000000, -0.0076099200000000, -0.0035550900000000 ]  - [   0.0009205300000000, -0.0085996700000000, -0.0055844400000000 ]  - [   0.0026871400000000, -0.0078411500000000, -0.0036595600000000 ]  - [  -0.0027105200000000, -0.0078327800000000,  0.0036787100000000 ]  - [  -0.0009616600000000, -0.0085870300000000,  0.0055883900000000 ]  - [   0.0015448400000000,  0.0420356300000000, -0.0213248000000000 ]  - [   0.0027513200000000, -0.0076802600000000,  0.0035663700000000 ]  - [  -0.0000588900000000, -0.0059840200000000,  0.0020191500000000 ]  - [  -0.0054223700000000, -0.0063131400000000,  0.0004322300000000 ]  - [   0.0003725000000000,  0.0293376900000000, -0.0001360100000000 ]  - [  -0.0000000800000000, -0.0035530100000000, -0.0000388800000000 ]  - [   0.0000588900000000, -0.0059840200000000, -0.0020191500000000 ]  - [   0.0054223700000000, -0.0063131400000000, -0.0004322300000000 ]  - [  -0.0057661100000000, -0.0073017600000000, -0.0046576900000000 ]  - [  -0.0027208800000000, -0.0072611200000000, -0.0033388500000000 ]  - [  -0.0027428800000000, -0.0072489800000000, -0.0033539000000000 ]  - [  -0.0057975500000000, -0.0073010400000000, -0.0046793600000000 ]  - [   0.0054389200000000, -0.0063368500000000, -0.0004313600000000 ]  - [   0.0000605300000000, -0.0060084500000000, -0.0020599400000000 ]  - [  -0.0003725000000000,  0.0293376900000000,  0.0001360100000000 ]  - [   0.0000000800000000, -0.0035530100000000,  0.0000388800000000 ]  - [  -0.0054389200000000, -0.0063368500000000,  0.0004313600000000 ]  - [  -0.0000605300000000, -0.0060084500000000,  0.0020599400000000 ]  - [  -0.0009205300000000, -0.0085996700000000,  0.0055844400000000 ]  - [  -0.0026871400000000, -0.0078411500000000,  0.0036595600000000 ]  - [   0.0007242300000000,  0.0442772500000000, -0.0238466300000000 ]  - [   0.0027754600000000, -0.0076708300000000,  0.0035826300000000 ]  - [   0.0027105200000000, -0.0078327800000000, -0.0036787100000000 ]  - [   0.0009616600000000, -0.0085870300000000, -0.0055883900000000 ]  - [  -0.0122066400000000,  0.0186529100000000,  0.0099718400000000 ]  - [   0.0027508700000000, -0.0076199600000000, -0.0035372300000000 ]  - [   0.0122053300000000,  0.0186919600000000, -0.0099873600000000 ]  - [  -0.0027737300000000, -0.0076099200000000,  0.0035550900000000 ]  - [   0.0057661100000000, -0.0073017600000000,  0.0046576900000000 ]  - [   0.0027208800000000, -0.0072611200000000,  0.0033388500000000 ]  - [  -0.0054516800000000,  0.0102042400000000, -0.0105725800000000 ]  - [   0.0000293200000000, -0.0058023600000000,  0.0019382200000000 ]  - [  -0.0001603900000000, -0.0032978700000000, -0.0003241800000000 ]  - [   0.0001569000000000, -0.0033000300000000,  0.0002472300000000 ]  - [   0.0054516800000000,  0.0102042400000000,  0.0105725800000000 ]  - [  -0.0000293200000000, -0.0058023600000000, -0.0019382200000000 ]  - [  -0.0015448400000000,  0.0420356300000000,  0.0213248000000000 ]  - [  -0.0027513200000000, -0.0076802600000000, -0.0035663700000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0094134100000000,  0.0091490000000000,  0.0033341700000000 ]  - [  -0.0000038500000000, -0.0001056600000000, -0.0000445900000000 ]  - [  -0.0094641900000000, -0.0092060200000000,  0.0033245000000000 ]  - [  -0.0000036200000000,  0.0001060200000000, -0.0000436700000000 ]  - [  -0.0025071100000000,  0.0000013900000000, -0.0026126900000000 ]  - [  -0.0025071100000000, -0.0000013900000000, -0.0026126900000000 ]  - [   0.0019119500000000,  0.0000011600000000, -0.0019386600000000 ]  - [   0.0019119500000000, -0.0000011600000000, -0.0019386600000000 ]  - [  -0.0094641900000000,  0.0092060200000000,  0.0033245000000000 ]  - [  -0.0000036200000000, -0.0001060200000000, -0.0000436700000000 ]  - [  -0.0094134100000000, -0.0091490000000000,  0.0033341700000000 ]  - [  -0.0000038500000000,  0.0001056600000000, -0.0000445900000000 ]  - [   0.0049338000000000,  0.0000000000000000,  0.0079108900000000 ]  - [   0.0000060900000000,  0.0000000000000000, -0.0000026700000000 ]  - [  -0.0094581200000000,  0.0000000000000000,  0.0409925400000000 ]  - [  -0.0000099600000000,  0.0000000000000000, -0.0000074800000000 ]  - [  -0.0149396500000000,  0.0000000000000000, -0.2555032700000000 ]  - [   0.0000459000000000,  0.0000000000000000,  0.0001685300000000 ]  - [   0.0442908600000000, -0.0402073200000000,  0.0190206000000000 ]  - [   0.0000048000000000,  0.0000525800000000, -0.0001332700000000 ]  - [  -0.0477622000000000,  0.0000000000000000, -0.0500548300000000 ]  - [  -0.0000282400000000,  0.0000000000000000,  0.0000915000000000 ]  - [   0.0442059100000000,  0.0401024000000000,  0.0190369300000000 ]  - [   0.0000043900000000, -0.0000518700000000, -0.0001373600000000 ]  - [   0.0028296000000000, -0.0000023100000000,  0.0100225600000000 ]  - [   0.0028296000000000,  0.0000023100000000,  0.0100225600000000 ]  - [   0.0442059100000000, -0.0401024000000000,  0.0190369300000000 ]  - [   0.0000043900000000,  0.0000518700000000, -0.0001373600000000 ]  - [  -0.0026724600000000,  0.0000025800000000,  0.0120934000000000 ]  - [  -0.0026724600000000, -0.0000025800000000,  0.0120934000000000 ]  - [   0.0442908600000000,  0.0402073200000000,  0.0190206000000000 ]  - [   0.0000048000000000, -0.0000525800000000, -0.0001332700000000 ]  - [  -0.0029622800000000,  0.0150335300000000,  0.0347020300000000 ]  - [  -0.0000674500000000, -0.0000908200000000, -0.0000559700000000 ]  - [  -0.0045591700000000, -0.0009990900000000, -0.0142325500000000 ]  - [  -0.0000114500000000, -0.0000393700000000, -0.0000344900000000 ]  - [  -0.0001675400000000, -0.0006001800000000, -0.0020779500000000 ]  - [  -0.0001675400000000,  0.0006001800000000, -0.0020779500000000 ]  - [  -0.0045185500000000,  0.0010179700000000, -0.0142252900000000 ]  - [  -0.0000110400000000,  0.0000112200000000,  0.0000084200000000 ]  - [  -0.0042806500000000, -0.0051468500000000,  0.0079615900000000 ]  - [   0.0000449000000000,  0.0000518800000000, -0.0000420300000000 ]  - [  -0.0002233100000000,  0.0000913100000000, -0.0007457400000000 ]  - [  -0.0075837800000000,  0.0092942600000000, -0.0060852800000000 ]  - [  -0.0042806500000000,  0.0051468500000000,  0.0079615900000000 ]  - [   0.0000449000000000, -0.0000518800000000, -0.0000420300000000 ]  - [   0.0034582800000000, -0.0108059600000000, -0.0077772600000000 ]  - [   0.0001138900000000, -0.0000387600000000, -0.0009047300000000 ]  - [   0.0001138900000000,  0.0000387600000000, -0.0009047300000000 ]  - [   0.0034582800000000,  0.0108059600000000, -0.0077772600000000 ]  - [  -0.0029622800000000, -0.0150335300000000,  0.0347020300000000 ]  - [  -0.0000674500000000,  0.0000908200000000, -0.0000559700000000 ]  - [  -0.0001211100000000, -0.0001680600000000,  0.0001993500000000 ]  - [  -0.0038746700000000, -0.0083355500000000,  0.0089553400000000 ]  - [   0.0056053800000000,  0.0000000000000000,  0.0284384700000000 ]  - [  -0.0000013100000000,  0.0000000000000000, -0.0000569500000000 ]  - [  -0.0001213000000000,  0.0001952900000000,  0.0002428100000000 ]  - [  -0.0038676300000000,  0.0083613700000000,  0.0089809600000000 ]  - [  -0.0075837800000000, -0.0092942600000000, -0.0060852800000000 ]  - [  -0.0002233100000000, -0.0000913100000000, -0.0007457400000000 ]  - [  -0.0002458600000000, -0.0000800300000000, -0.0007608500000000 ]  - [  -0.0076220700000000, -0.0092978700000000, -0.0061080200000000 ]  - [  -0.0038746700000000,  0.0083355500000000,  0.0089553400000000 ]  - [  -0.0001211100000000,  0.0001680600000000,  0.0001993500000000 ]  - [   0.0055643800000000,  0.0000000000000000,  0.0284852100000000 ]  - [  -0.0000010900000000,  0.0000000000000000,  0.0000208200000000 ]  - [  -0.0038676300000000, -0.0083613700000000,  0.0089809600000000 ]  - [  -0.0001213000000000, -0.0001952900000000,  0.0002428100000000 ]  - [   0.0034902900000000,  0.0107956900000000, -0.0078027800000000 ]  - [   0.0001380700000000,  0.0000303200000000, -0.0009228700000000 ]  - [  -0.0036663900000000, -0.0128147300000000,  0.0328386400000000 ]  - [  -0.0000422100000000,  0.0000992100000000, -0.0000391900000000 ]  - [   0.0001380700000000, -0.0000303200000000, -0.0009228700000000 ]  - [   0.0034902900000000, -0.0107956900000000, -0.0078027800000000 ]  - [  -0.0043110200000000,  0.0051301000000000,  0.0079394000000000 ]  - [   0.0000209500000000, -0.0000611500000000, -0.0000239200000000 ]  - [  -0.0043110200000000, -0.0051301000000000,  0.0079394000000000 ]  - [   0.0000209500000000,  0.0000611500000000, -0.0000239200000000 ]  - [  -0.0076220700000000,  0.0092978700000000, -0.0061080200000000 ]  - [  -0.0002458600000000,  0.0000800300000000, -0.0007608500000000 ]  - [  -0.0045591700000000,  0.0009990900000000, -0.0142325500000000 ]  - [  -0.0000114500000000,  0.0000393700000000, -0.0000344900000000 ]  - [  -0.0001692300000000,  0.0005988100000000, -0.0021529200000000 ]  - [  -0.0001692300000000, -0.0005988100000000, -0.0021529200000000 ]  - [  -0.0045185500000000, -0.0010179700000000, -0.0142252900000000 ]  - [  -0.0000110400000000, -0.0000112200000000,  0.0000084200000000 ]  - [  -0.0036663900000000,  0.0128147300000000,  0.0328386400000000 ]  - [  -0.0000422100000000, -0.0000992100000000, -0.0000391900000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0089827400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000192200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0491395200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000151100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000166100000000, -0.0002909300000000,  0.0000209300000000 ]  - [   0.0016004100000000,  0.0070585200000000,  0.0069565900000000 ]  - [   0.0000184500000000,  0.0002910000000000, -0.0000222200000000 ]  - [   0.0015878900000000, -0.0071487100000000, -0.0070227200000000 ]  - [   0.0025454400000000,  0.0000053200000000,  0.0000038000000000 ]  - [   0.0025454400000000, -0.0000053200000000, -0.0000038000000000 ]  - [  -0.0017537800000000,  0.0000020500000000, -0.0000014900000000 ]  - [  -0.0017537800000000, -0.0000020500000000,  0.0000014900000000 ]  - [   0.0015878900000000,  0.0071487100000000,  0.0070227200000000 ]  - [   0.0000184500000000, -0.0002910000000000,  0.0000222200000000 ]  - [   0.0016004100000000, -0.0070585200000000, -0.0069565900000000 ]  - [   0.0000166100000000,  0.0002909300000000, -0.0000209300000000 ]  - [   0.0140036600000000, -0.0474901800000000,  0.0441754700000000 ]  - [   0.0000063000000000,  0.0002589900000000,  0.0000021100000000 ]  - [  -0.2027575400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000846800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0140310600000000,  0.0476514600000000, -0.0443204800000000 ]  - [   0.0000078700000000, -0.0002574800000000, -0.0000090000000000 ]  - [   0.0232025900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001103600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000078700000000,  0.0002574800000000,  0.0000090000000000 ]  - [   0.0140310600000000, -0.0476514600000000,  0.0443204800000000 ]  - [   0.0079800600000000, -0.0000071000000000, -0.0000049300000000 ]  - [   0.0079800600000000,  0.0000071000000000,  0.0000049300000000 ]  - [   0.0000063000000000, -0.0002589900000000, -0.0000021100000000 ]  - [   0.0140036600000000,  0.0474901800000000, -0.0441754700000000 ]  - [  -0.0112894800000000,  0.0000074500000000,  0.0000063000000000 ]  - [  -0.0112894800000000, -0.0000074500000000, -0.0000063000000000 ]  - [   0.0033053200000000,  0.0118879500000000,  0.0030090100000000 ]  - [   0.0004909700000000, -0.0001118100000000, -0.0002242300000000 ]  - [   0.0143127800000000, -0.0004035200000000, -0.0006642900000000 ]  - [  -0.0000142500000000, -0.0000131600000000, -0.0000198600000000 ]  - [  -0.0000867600000000, -0.0000003300000000,  0.0000396500000000 ]  - [  -0.0215930600000000,  0.0000194500000000,  0.0000231600000000 ]  - [  -0.0067236400000000, -0.0000224700000000, -0.0000130700000000 ]  - [   0.0000313200000000, -0.0000128200000000,  0.0000190300000000 ]  - [   0.0263487000000000, -0.0022916400000000,  0.0090254900000000 ]  - [  -0.0000041400000000,  0.0000316100000000, -0.0000309500000000 ]  - [  -0.0000041400000000, -0.0000316100000000,  0.0000309500000000 ]  - [   0.0263487000000000,  0.0022916400000000, -0.0090254900000000 ]  - [   0.0033275600000000, -0.0118937800000000, -0.0030133900000000 ]  - [   0.0005141200000000,  0.0001261600000000,  0.0002107700000000 ]  - [   0.0004909700000000,  0.0001118100000000,  0.0002242300000000 ]  - [   0.0033053200000000, -0.0118879500000000, -0.0030090100000000 ]  - [  -0.0000285600000000,  0.0000427400000000, -0.0000143500000000 ]  - [   0.0243254000000000, -0.0040865300000000,  0.0099461100000000 ]  - [   0.0243254000000000,  0.0040865300000000, -0.0099461100000000 ]  - [  -0.0000285600000000, -0.0000427400000000,  0.0000143500000000 ]  - [   0.0000313200000000,  0.0000128200000000, -0.0000190300000000 ]  - [  -0.0067236400000000,  0.0000224700000000,  0.0000130700000000 ]  - [  -0.0215930600000000, -0.0000194500000000, -0.0000231600000000 ]  - [  -0.0000867600000000,  0.0000003300000000, -0.0000396500000000 ]  - [  -0.0000142500000000,  0.0000131600000000,  0.0000198600000000 ]  - [   0.0143127800000000,  0.0004035200000000,  0.0006642900000000 ]  - [   0.0005141200000000, -0.0001261600000000, -0.0002107700000000 ]  - [   0.0033275600000000,  0.0118937800000000,  0.0030133900000000 ]  - [  -0.0000020400000000, -0.0000480600000000, -0.0000443100000000 ]  - [  -0.0062443900000000, -0.0036261600000000, -0.0095726300000000 ]  - [  -0.0009810100000000, -0.0000116400000000, -0.0000148800000000 ]  - [  -0.0025828400000000, -0.0000213300000000, -0.0000215100000000 ]  - [   0.0166602300000000, -0.0000118200000000,  0.0000426100000000 ]  - [   0.0000910900000000,  0.0000001700000000,  0.0000396500000000 ]  - [   0.0016248600000000, -0.0000151900000000,  0.0000182900000000 ]  - [   0.0031097000000000, -0.0000137000000000,  0.0000207300000000 ]  - [  -0.0004265000000000,  0.0000749800000000, -0.0000499100000000 ]  - [  -0.0039146400000000, -0.0093056500000000,  0.0076088500000000 ]  - [  -0.0039146400000000,  0.0093056500000000, -0.0076088500000000 ]  - [  -0.0004265000000000, -0.0000749800000000,  0.0000499100000000 ]  - [   0.0000230900000000,  0.0000589300000000,  0.0000272100000000 ]  - [  -0.0062408600000000,  0.0036564100000000,  0.0095494200000000 ]  - [  -0.0062443900000000,  0.0036261600000000,  0.0095726300000000 ]  - [  -0.0000020400000000,  0.0000480600000000,  0.0000443100000000 ]  - [  -0.0039325000000000, -0.0092716700000000,  0.0076126100000000 ]  - [  -0.0004561700000000,  0.0000782700000000, -0.0000300500000000 ]  - [  -0.0004561700000000, -0.0000782700000000,  0.0000300500000000 ]  - [  -0.0039325000000000,  0.0092716700000000, -0.0076126100000000 ]  - [   0.0031097000000000,  0.0000137000000000, -0.0000207300000000 ]  - [   0.0016248600000000,  0.0000151900000000, -0.0000182900000000 ]  - [   0.0000910900000000, -0.0000001700000000, -0.0000396500000000 ]  - [   0.0166602300000000,  0.0000118200000000, -0.0000426100000000 ]  - [  -0.0025828400000000,  0.0000213300000000,  0.0000215100000000 ]  - [  -0.0009810100000000,  0.0000116400000000,  0.0000148800000000 ]  - [  -0.0062408600000000, -0.0036564100000000, -0.0095494200000000 ]  - [   0.0000230900000000, -0.0000589300000000, -0.0000272100000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0274781300000000,  0.0168659600000000 ]  - [   0.0000000000000000,  0.0052175500000000,  0.0003534100000000 ]  - [   0.0000000000000000, -0.0305730800000000,  0.0062588000000000 ]  - [   0.0000000000000000,  0.0052103200000000, -0.0003481600000000 ]  - [  -0.0000882000000000,  0.0067531000000000, -0.0000349800000000 ]  - [   0.0119434800000000,  0.0049944900000000,  0.0091523500000000 ]  - [   0.0000882000000000,  0.0067531000000000, -0.0000349800000000 ]  - [  -0.0119434800000000,  0.0049944900000000,  0.0091523500000000 ]  - [   0.0000000000000000,  0.0050709200000000,  0.0004940000000000 ]  - [   0.0000000000000000,  0.0050721400000000,  0.0004936300000000 ]  - [   0.0000000000000000,  0.0048732700000000, -0.0002540500000000 ]  - [   0.0000000000000000,  0.0048731800000000, -0.0002571500000000 ]  - [   0.0120344500000000,  0.0050341100000000,  0.0092624000000000 ]  - [  -0.0000861900000000,  0.0067537400000000, -0.0000339100000000 ]  - [  -0.0120344500000000,  0.0050341100000000,  0.0092624000000000 ]  - [   0.0000861900000000,  0.0067537400000000, -0.0000339100000000 ]  - [  -0.0164530200000000,  0.0228165500000000, -0.0402318500000000 ]  - [   0.0000548900000000,  0.0173992300000000,  0.0000531700000000 ]  - [   0.0000000000000000, -0.2778425900000000, -0.0873763700000000 ]  - [   0.0000000000000000,  0.0180194000000000, -0.0004830000000000 ]  - [   0.0164530200000000,  0.0228165500000000, -0.0402318500000000 ]  - [  -0.0000548900000000,  0.0173992300000000,  0.0000531700000000 ]  - [   0.0000000000000000, -0.0546152000000000, -0.0026694400000000 ]  - [   0.0000000000000000,  0.0180075000000000,  0.0004594800000000 ]  - [   0.0000572100000000,  0.0173991500000000,  0.0000568200000000 ]  - [  -0.0163847500000000,  0.0227409900000000, -0.0400770200000000 ]  - [   0.0000000000000000,  0.0172820700000000, -0.0005018400000000 ]  - [   0.0000000000000000,  0.0172925100000000, -0.0004978400000000 ]  - [  -0.0000572100000000,  0.0173991500000000,  0.0000568200000000 ]  - [   0.0163847500000000,  0.0227409900000000, -0.0400770200000000 ]  - [   0.0000000000000000,  0.0195510500000000,  0.0012039000000000 ]  - [   0.0000000000000000,  0.0195273500000000,  0.0012115500000000 ]  - [  -0.0018772200000000, -0.0088930900000000, -0.0013897000000000 ]  - [  -0.0029226400000000, -0.0079469000000000, -0.0037828900000000 ]  - [   0.0000000000000000,  0.0489294900000000,  0.0423104800000000 ]  - [   0.0000000000000000, -0.0060410800000000, -0.0020283100000000 ]  - [   0.0000000000000000, -0.0036456100000000,  0.0000558600000000 ]  - [   0.0000000000000000, -0.0014343900000000,  0.0019900400000000 ]  - [   0.0000000000000000,  0.0159865700000000, -0.0049177500000000 ]  - [   0.0000000000000000, -0.0060589600000000,  0.0020410000000000 ]  - [   0.0152133600000000,  0.0316340300000000,  0.0047532900000000 ]  - [  -0.0028435900000000, -0.0079159500000000,  0.0036850900000000 ]  - [   0.0028668300000000, -0.0079060300000000,  0.0037026200000000 ]  - [  -0.0135327300000000,  0.0304678000000000,  0.0054036400000000 ]  - [   0.0018772200000000, -0.0088930900000000, -0.0013897000000000 ]  - [   0.0029226400000000, -0.0079469000000000, -0.0037828900000000 ]  - [   0.0029024800000000, -0.0079601200000000, -0.0037669300000000 ]  - [   0.0018626900000000, -0.0088924500000000, -0.0013945400000000 ]  - [  -0.0028668300000000, -0.0079060300000000,  0.0037026200000000 ]  - [   0.0135327300000000,  0.0304678000000000,  0.0054036400000000 ]  - [  -0.0152133600000000,  0.0316340300000000,  0.0047532900000000 ]  - [   0.0028435900000000, -0.0079159500000000,  0.0036850900000000 ]  - [   0.0000000000000000, -0.0060303600000000,  0.0019945300000000 ]  - [   0.0000000000000000,  0.0159917700000000, -0.0049484500000000 ]  - [   0.0000000000000000, -0.0014145400000000,  0.0019156400000000 ]  - [   0.0000000000000000, -0.0036458000000000, -0.0000270300000000 ]  - [   0.0000000000000000, -0.0060127400000000, -0.0019811900000000 ]  - [   0.0000000000000000,  0.0485415500000000,  0.0407876700000000 ]  - [  -0.0029024800000000, -0.0079601200000000, -0.0037669300000000 ]  - [  -0.0018626900000000, -0.0088924500000000, -0.0013945400000000 ]  - [  -0.0028664900000000, -0.0078967800000000, -0.0037056900000000 ]  - [   0.0099348100000000,  0.0185101700000000,  0.0145345400000000 ]  - [   0.0000000000000000, -0.0057736700000000, -0.0018305700000000 ]  - [   0.0000000000000000, -0.0059386700000000, -0.0022295100000000 ]  - [   0.0000000000000000, -0.0012518100000000,  0.0067882700000000 ]  - [   0.0000000000000000, -0.0036832300000000,  0.0000323600000000 ]  - [   0.0000000000000000, -0.0063304800000000,  0.0022204200000000 ]  - [   0.0000000000000000, -0.0056170100000000,  0.0008084800000000 ]  - [  -0.0028040500000000, -0.0079151700000000,  0.0036867200000000 ]  - [  -0.0037480800000000, -0.0078374100000000,  0.0068636200000000 ]  - [   0.0037644800000000, -0.0078261700000000,  0.0068821200000000 ]  - [   0.0028306100000000, -0.0079085100000000,  0.0037060800000000 ]  - [   0.0028664900000000, -0.0078967800000000, -0.0037056900000000 ]  - [  -0.0099348100000000,  0.0185101700000000,  0.0145345400000000 ]  - [  -0.0099530700000000,  0.0185185000000000,  0.0145835200000000 ]  - [   0.0028431400000000, -0.0079064900000000, -0.0036875300000000 ]  - [  -0.0037644800000000, -0.0078261700000000,  0.0068821200000000 ]  - [  -0.0028306100000000, -0.0079085100000000,  0.0037060800000000 ]  - [   0.0028040500000000, -0.0079151700000000,  0.0036867200000000 ]  - [   0.0037480800000000, -0.0078374100000000,  0.0068636200000000 ]  - [   0.0000000000000000, -0.0056024300000000,  0.0007543200000000 ]  - [   0.0000000000000000, -0.0062972200000000,  0.0021717500000000 ]  - [   0.0000000000000000, -0.0036834500000000, -0.0000519800000000 ]  - [   0.0000000000000000, -0.0012629500000000,  0.0067192100000000 ]  - [   0.0000000000000000, -0.0058980200000000, -0.0021824700000000 ]  - [   0.0000000000000000, -0.0057488600000000, -0.0017875000000000 ]  - [   0.0099530700000000,  0.0185185000000000,  0.0145835200000000 ]  - [  -0.0028431400000000, -0.0079064900000000, -0.0036875300000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0118633700000000,  0.0607245400000000 ]  - [   0.0000000000000000, -0.0001375700000000,  0.0000025300000000 ]  - [   0.0000000000000000,  0.0054207300000000, -0.0138809500000000 ]  - [   0.0000000000000000, -0.0001357600000000, -0.0000023000000000 ]  - [   0.0000663000000000, -0.0003465000000000,  0.0000331800000000 ]  - [   0.0154153800000000,  0.0157463500000000,  0.0030573600000000 ]  - [  -0.0000663000000000, -0.0003465000000000,  0.0000331800000000 ]  - [  -0.0154153800000000,  0.0157463500000000,  0.0030573600000000 ]  - [   0.0000000000000000, -0.0001963100000000, -0.0023975000000000 ]  - [   0.0000000000000000, -0.0001932800000000, -0.0024006100000000 ]  - [   0.0000000000000000,  0.0001125400000000,  0.0023821500000000 ]  - [   0.0000000000000000,  0.0001098700000000,  0.0023875700000000 ]  - [   0.0154798900000000,  0.0158315900000000,  0.0030809000000000 ]  - [   0.0000667700000000, -0.0003458400000000,  0.0000331600000000 ]  - [  -0.0154798900000000,  0.0158315900000000,  0.0030809000000000 ]  - [  -0.0000667700000000, -0.0003458400000000,  0.0000331600000000 ]  - [   0.0086529900000000, -0.0232691600000000,  0.0190237100000000 ]  - [  -0.0000525500000000, -0.0002736700000000, -0.0001312400000000 ]  - [   0.0000000000000000, -0.0874598800000000, -0.3360938600000000 ]  - [   0.0000000000000000, -0.0004829700000000, -0.0000383000000000 ]  - [  -0.0086529900000000, -0.0232691600000000,  0.0190237100000000 ]  - [   0.0000525500000000, -0.0002736700000000, -0.0001312400000000 ]  - [   0.0000000000000000,  0.0026703300000000,  0.0204855000000000 ]  - [   0.0000000000000000, -0.0004583700000000,  0.0000657100000000 ]  - [  -0.0000518600000000, -0.0002738100000000, -0.0001323200000000 ]  - [   0.0086868600000000, -0.0233273500000000,  0.0190339900000000 ]  - [   0.0000000000000000, -0.0004916000000000,  0.0084155600000000 ]  - [   0.0000000000000000, -0.0005064500000000,  0.0084246300000000 ]  - [   0.0000518600000000, -0.0002738100000000, -0.0001323200000000 ]  - [  -0.0086868600000000, -0.0233273500000000,  0.0190339900000000 ]  - [   0.0000000000000000, -0.0012077500000000, -0.0083522300000000 ]  - [   0.0000000000000000, -0.0012052300000000, -0.0083527000000000 ]  - [   0.0014984600000000,  0.0062589000000000,  0.0037544300000000 ]  - [   0.0000945300000000,  0.0003658000000000,  0.0007669000000000 ]  - [   0.0000000000000000,  0.0463336300000000,  0.0822943300000000 ]  - [   0.0000000000000000,  0.0001544300000000,  0.0000413600000000 ]  - [   0.0000000000000000,  0.0001234900000000,  0.0000502800000000 ]  - [   0.0000000000000000,  0.0023599700000000, -0.0007933200000000 ]  - [   0.0000000000000000,  0.0038725700000000, -0.0060605400000000 ]  - [   0.0000000000000000,  0.0001657000000000, -0.0000540500000000 ]  - [  -0.0069787300000000,  0.0018600300000000,  0.0219104800000000 ]  - [   0.0000805400000000,  0.0001950500000000, -0.0001077600000000 ]  - [  -0.0000566100000000,  0.0002039400000000, -0.0000892400000000 ]  - [   0.0069885400000000,  0.0019222700000000,  0.0217620700000000 ]  - [  -0.0014984600000000,  0.0062589000000000,  0.0037544300000000 ]  - [  -0.0000945300000000,  0.0003658000000000,  0.0007669000000000 ]  - [  -0.0001183800000000,  0.0003576300000000,  0.0007853300000000 ]  - [  -0.0015209800000000,  0.0062476400000000,  0.0037787100000000 ]  - [   0.0000566100000000,  0.0002039400000000, -0.0000892400000000 ]  - [  -0.0069885400000000,  0.0019222700000000,  0.0217620700000000 ]  - [   0.0069787300000000,  0.0018600300000000,  0.0219104800000000 ]  - [  -0.0000805400000000,  0.0001950500000000, -0.0001077600000000 ]  - [   0.0000000000000000,  0.0001971600000000, -0.0001031900000000 ]  - [   0.0000000000000000,  0.0039120800000000, -0.0061052900000000 ]  - [   0.0000000000000000,  0.0023535800000000, -0.0008842300000000 ]  - [   0.0000000000000000,  0.0001244900000000, -0.0000363100000000 ]  - [   0.0000000000000000,  0.0001855400000000,  0.0000909100000000 ]  - [   0.0000000000000000,  0.0421601400000000,  0.0759524600000000 ]  - [   0.0001183800000000,  0.0003576300000000,  0.0007853300000000 ]  - [   0.0015209800000000,  0.0062476400000000,  0.0037787100000000 ]  - [   0.0000560600000000,  0.0001855100000000,  0.0000987700000000 ]  - [  -0.0026547300000000, -0.0018978000000000, -0.0079774900000000 ]  - [   0.0000000000000000, -0.0001487400000000, -0.0010585000000000 ]  - [   0.0000000000000000, -0.0083513400000000, -0.0050746300000000 ]  - [   0.0000000000000000,  0.0028151900000000, -0.0046233700000000 ]  - [   0.0000000000000000,  0.0001439200000000,  0.0000554600000000 ]  - [   0.0000000000000000,  0.0002944800000000,  0.0005855100000000 ]  - [   0.0000000000000000, -0.0065148300000000,  0.0039229800000000 ]  - [  -0.0000415200000000,  0.0001434300000000, -0.0006705700000000 ]  - [   0.0018961400000000,  0.0053670900000000, -0.0055769000000000 ]  - [  -0.0018631200000000,  0.0053575800000000, -0.0055394500000000 ]  - [   0.0000650000000000,  0.0001542700000000, -0.0006535800000000 ]  - [  -0.0000560600000000,  0.0001855100000000,  0.0000987700000000 ]  - [   0.0026547300000000, -0.0018978000000000, -0.0079774900000000 ]  - [   0.0026279100000000, -0.0019152300000000, -0.0079756400000000 ]  - [  -0.0000798500000000,  0.0001768200000000,  0.0001173100000000 ]  - [   0.0018631200000000,  0.0053575800000000, -0.0055394500000000 ]  - [  -0.0000650000000000,  0.0001542700000000, -0.0006535800000000 ]  - [   0.0000415200000000,  0.0001434300000000, -0.0006705700000000 ]  - [  -0.0018961400000000,  0.0053670900000000, -0.0055769000000000 ]  - [   0.0000000000000000, -0.0064859200000000,  0.0038743300000000 ]  - [   0.0000000000000000,  0.0003241300000000,  0.0005406700000000 ]  - [   0.0000000000000000,  0.0001431600000000, -0.0000297300000000 ]  - [   0.0000000000000000,  0.0028444800000000, -0.0046944700000000 ]  - [   0.0000000000000000, -0.0083136100000000, -0.0050134200000000 ]  - [   0.0000000000000000, -0.0001177400000000, -0.0010112100000000 ]  - [  -0.0026279100000000, -0.0019152300000000, -0.0079756400000000 ]  - [   0.0000798500000000,  0.0001768200000000,  0.0001173100000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010288300000000, -0.0002407100000000, -0.0002158100000000 ]  - [   0.0001063200000000, -0.0008305700000000, -0.0000277200000000 ]  - [  -0.0007780400000000, -0.0015870700000000,  0.0008269900000000 ]  - [  -0.0001193700000000, -0.0007679900000000,  0.0000286200000000 ]  - [   0.0027458000000000,  0.0000988600000000,  0.0005818100000000 ]  - [   0.0000698600000000, -0.0012000800000000,  0.0000209400000000 ]  - [  -0.0024505400000000, -0.0006476700000000,  0.0010412800000000 ]  - [  -0.0000799900000000, -0.0009952700000000,  0.0000297100000000 ]  - [   0.0025799000000000,  0.0021632100000000,  0.0005690800000000 ]  - [   0.0000053200000000, -0.0008346800000000, -0.0000548600000000 ]  - [   0.0012758100000000,  0.0016108700000000,  0.0004807900000000 ]  - [  -0.0000026600000000, -0.0008296200000000,  0.0000545900000000 ]  - [  -0.0036109100000000,  0.0031649500000000, -0.0010509000000000 ]  - [  -0.0000062700000000, -0.0010859400000000,  0.0000028400000000 ]  - [   0.0048987400000000,  0.0018141900000000,  0.0005843800000000 ]  - [   0.0000063700000000, -0.0010573300000000,  0.0000055500000000 ]  - [   0.0140286200000000, -0.0012804100000000, -0.0034937500000000 ]  - [  -0.0000041500000000, -0.0027822000000000, -0.0000544400000000 ]  - [   0.0033659400000000, -0.0018946600000000,  0.0015259800000000 ]  - [   0.0005054600000000, -0.0029332900000000,  0.0001056000000000 ]  - [  -0.0159186500000000,  0.0123025400000000,  0.0043779600000000 ]  - [  -0.0000042300000000, -0.0027822900000000, -0.0000335200000000 ]  - [  -0.0039729300000000, -0.0037778300000000, -0.0018944800000000 ]  - [  -0.0004441400000000, -0.0028360800000000,  0.0000517400000000 ]  - [  -0.0036381100000000, -0.0058168800000000, -0.0076395300000000 ]  - [  -0.0001614000000000, -0.0027493400000000, -0.0002356400000000 ]  - [  -0.0062861200000000,  0.0100047300000000, -0.0026550500000000 ]  - [   0.0000106100000000, -0.0028755500000000,  0.0000680400000000 ]  - [   0.0020056500000000, -0.0009475900000000, -0.0034877000000000 ]  - [   0.0001042000000000, -0.0027208700000000, -0.0001273400000000 ]  - [   0.0261573300000000,  0.0153835800000000,  0.0074884700000000 ]  - [  -0.0000169100000000, -0.0028744300000000, -0.0000695800000000 ]  - [  -0.1037603000000000, -0.0523717600000000, -0.0403329500000000 ]  - [   0.0004529100000000,  0.0012771900000000,  0.0005903200000000 ]  - [  -0.0013148800000000, -0.0004745700000000, -0.0005316500000000 ]  - [  -0.0000702800000000,  0.0009619100000000,  0.0002945700000000 ]  - [   0.0016902600000000, -0.0000987400000000,  0.0000827900000000 ]  - [  -0.0000131400000000,  0.0006334500000000,  0.0000254100000000 ]  - [   0.0011662900000000, -0.0006470300000000,  0.0007700200000000 ]  - [   0.0000555100000000,  0.0009244500000000, -0.0003187200000000 ]  - [   0.0006535800000000, -0.0016312900000000,  0.0000770700000000 ]  - [   0.0004356500000000,  0.0012276200000000, -0.0005887900000000 ]  - [  -0.0004765400000000,  0.0017570500000000, -0.0003224000000000 ]  - [  -0.0004780100000000,  0.0010781000000000, -0.0005233100000000 ]  - [   0.0223852000000000, -0.0105074600000000, -0.0081113000000000 ]  - [  -0.0004406700000000,  0.0012674400000000,  0.0005837900000000 ]  - [  -0.0080897600000000,  0.0038380000000000,  0.0025654700000000 ]  - [  -0.0004556600000000,  0.0012354000000000,  0.0006004500000000 ]  - [   0.0001264700000000,  0.0007734800000000, -0.0000685900000000 ]  - [   0.0001257100000000,  0.0010422100000000, -0.0005769300000000 ]  - [  -0.0050803500000000,  0.0048968400000000, -0.0026466900000000 ]  - [  -0.0004799600000000,  0.0012165100000000, -0.0005684300000000 ]  - [   0.0003137200000000,  0.0011664600000000, -0.0004808800000000 ]  - [   0.0004189800000000,  0.0010940600000000, -0.0002006000000000 ]  - [   0.0238997000000000,  0.0087293800000000,  0.0066271900000000 ]  - [   0.0000012000000000,  0.0005788200000000, -0.0000308400000000 ]  - [  -0.0001720700000000,  0.0009059000000000,  0.0002057100000000 ]  - [  -0.0005546100000000,  0.0009129300000000,  0.0001929800000000 ]  - [   0.0229865100000000,  0.0155211300000000,  0.0092272600000000 ]  - [   0.0005076600000000,  0.0012831600000000,  0.0006342800000000 ]  - [   0.0011450900000000,  0.0019826200000000,  0.0014490400000000 ]  - [   0.0011456700000000,  0.0017559300000000,  0.0009967200000000 ]  - [   0.0009738900000000, -0.0034552500000000,  0.0013857500000000 ]  - [  -0.0000210800000000,  0.0009529800000000,  0.0002991700000000 ]  - [   0.0001005500000000, -0.0048089500000000, -0.0023862500000000 ]  - [   0.0000012400000000,  0.0005931000000000,  0.0000528400000000 ]  - [   0.0026688700000000,  0.0120977800000000, -0.0079808700000000 ]  - [   0.0000178300000000,  0.0009551900000000, -0.0003020200000000 ]  - [  -0.0020105400000000, -0.0028693500000000,  0.0019108700000000 ]  - [   0.0004443600000000,  0.0012399600000000, -0.0005852400000000 ]  - [   0.0021587200000000, -0.0052095500000000,  0.0127507500000000 ]  - [  -0.0004470100000000,  0.0012688800000000, -0.0005758300000000 ]  - [  -0.0003625200000000,  0.0007305000000000,  0.0005780200000000 ]  - [  -0.0003604800000000,  0.0013596300000000,  0.0007575900000000 ]  - [   0.0022653300000000, -0.0018558500000000, -0.0005146600000000 ]  - [  -0.0004537600000000,  0.0012813000000000,  0.0006096400000000 ]  - [   0.0016798100000000, -0.0017878500000000,  0.0002541000000000 ]  - [   0.0004406900000000,  0.0012629300000000, -0.0005764300000000 ]  - [   0.0030556500000000, -0.0030871500000000,  0.0026562800000000 ]  - [  -0.0004728000000000,  0.0012569000000000, -0.0005847000000000 ]  - [   0.0044165800000000, -0.0033581700000000,  0.0185014600000000 ]  - [   0.0000039400000000,  0.0009745500000000, -0.0003451600000000 ]  - [  -0.0008032300000000,  0.0006107800000000,  0.0008506000000000 ]  - [   0.0000342500000000,  0.0005533800000000, -0.0000459500000000 ]  - [   0.0019299600000000, -0.0011915800000000, -0.0018085200000000 ]  - [  -0.0000038400000000,  0.0009780700000000,  0.0003443900000000 ]  - [   0.0066770800000000,  0.0096466800000000,  0.0076986400000000 ]  - [   0.0005422300000000,  0.0013373200000000,  0.0006304800000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010083500000000,  0.0002324000000000,  0.0002086800000000 ]  - [  -0.0001047700000000,  0.0008191500000000,  0.0000294400000000 ]  - [   0.0007543000000000,  0.0015897700000000, -0.0008221100000000 ]  - [   0.0001186900000000,  0.0007558800000000, -0.0000255100000000 ]  - [  -0.0027356700000000, -0.0001032300000000, -0.0005753700000000 ]  - [  -0.0000691300000000,  0.0011800900000000, -0.0000197100000000 ]  - [   0.0024442900000000,  0.0006264800000000, -0.0010272800000000 ]  - [   0.0000797400000000,  0.0009810200000000, -0.0000284200000000 ]  - [  -0.0030531800000000, -0.0018665900000000, -0.0004326200000000 ]  - [  -0.0000038800000000,  0.0008229700000000,  0.0000553100000000 ]  - [  -0.0012503000000000, -0.0015741100000000, -0.0004958900000000 ]  - [   0.0000029700000000,  0.0008178400000000, -0.0000528500000000 ]  - [   0.0036081000000000, -0.0031142800000000,  0.0010348300000000 ]  - [   0.0000088400000000,  0.0010705600000000, -0.0000008400000000 ]  - [  -0.0049161600000000, -0.0017931400000000, -0.0005488300000000 ]  - [  -0.0000082200000000,  0.0010423800000000, -0.0000040500000000 ]  - [  -0.0138846900000000,  0.0010062600000000,  0.0031489900000000 ]  - [   0.0000051200000000,  0.0027429600000000,  0.0000549600000000 ]  - [  -0.0032659800000000,  0.0018458000000000, -0.0014936900000000 ]  - [  -0.0005003500000000,  0.0028915200000000, -0.0001079900000000 ]  - [   0.0160276800000000, -0.0121110400000000, -0.0042142800000000 ]  - [   0.0000043400000000,  0.0027412800000000,  0.0000331000000000 ]  - [   0.0038721500000000,  0.0037348200000000,  0.0018658800000000 ]  - [   0.0004399400000000,  0.0027987900000000, -0.0000545200000000 ]  - [   0.0036258000000000,  0.0057461900000000,  0.0075664500000000 ]  - [   0.0001624800000000,  0.0027148800000000,  0.0002338800000000 ]  - [   0.0061985600000000, -0.0098835400000000,  0.0026277500000000 ]  - [  -0.0000106400000000,  0.0028344700000000, -0.0000683100000000 ]  - [  -0.0020091800000000,  0.0009344500000000,  0.0034610100000000 ]  - [  -0.0001043900000000,  0.0026761500000000,  0.0001237500000000 ]  - [  -0.0245038200000000, -0.0133640300000000, -0.0064908400000000 ]  - [   0.0000153500000000,  0.0028367100000000,  0.0000677800000000 ]  - [   0.1020877200000000,  0.0502064400000000,  0.0392052400000000 ]  - [  -0.0004700500000000, -0.0012499400000000, -0.0005990000000000 ]  - [   0.0012969800000000,  0.0004346900000000,  0.0004714500000000 ]  - [   0.0000696700000000, -0.0009791300000000, -0.0003393200000000 ]  - [  -0.0016717100000000,  0.0001173600000000,  0.0000173100000000 ]  - [   0.0000146400000000, -0.0006264000000000,  0.0000608300000000 ]  - [  -0.0011462700000000,  0.0006041200000000, -0.0007072500000000 ]  - [  -0.0000549800000000, -0.0009420100000000,  0.0003624400000000 ]  - [  -0.0006629500000000,  0.0015789100000000, -0.0000775900000000 ]  - [  -0.0004059500000000, -0.0012193600000000,  0.0005613200000000 ]  - [   0.0004933700000000, -0.0017261100000000,  0.0003337200000000 ]  - [   0.0004919000000000, -0.0010533900000000,  0.0005337000000000 ]  - [  -0.0219925400000000,  0.0103592000000000,  0.0079899400000000 ]  - [   0.0004577400000000, -0.0012397700000000, -0.0005932100000000 ]  - [   0.0079987400000000, -0.0038721800000000, -0.0025586600000000 ]  - [   0.0004261300000000, -0.0012257100000000, -0.0005715800000000 ]  - [  -0.0001451500000000, -0.0007536600000000,  0.0000847900000000 ]  - [  -0.0001460600000000, -0.0010133000000000,  0.0005832300000000 ]  - [   0.0050413900000000, -0.0047252500000000,  0.0025990500000000 ]  - [   0.0004499600000000, -0.0012078700000000,  0.0005422600000000 ]  - [  -0.0003118500000000, -0.0011188400000000,  0.0004250300000000 ]  - [  -0.0004093500000000, -0.0010505400000000,  0.0001478800000000 ]  - [  -0.0240419800000000, -0.0089284000000000, -0.0068204400000000 ]  - [  -0.0000008100000000, -0.0005706600000000, -0.0000536700000000 ]  - [   0.0001708100000000, -0.0008605800000000, -0.0001528700000000 ]  - [   0.0005415300000000, -0.0008666700000000, -0.0001407800000000 ]  - [  -0.0227788600000000, -0.0154027200000000, -0.0091330900000000 ]  - [  -0.0004775200000000, -0.0012747400000000, -0.0006079700000000 ]  - [  -0.0011596900000000, -0.0019539400000000, -0.0014537400000000 ]  - [  -0.0011591100000000, -0.0017287200000000, -0.0010042500000000 ]  - [  -0.0009560100000000,  0.0034019100000000, -0.0014769700000000 ]  - [   0.0000212500000000, -0.0009710300000000, -0.0003435700000000 ]  - [  -0.0002289900000000,  0.0048066900000000,  0.0024848400000000 ]  - [  -0.0000010500000000, -0.0005849700000000,  0.0000324700000000 ]  - [  -0.0027044200000000, -0.0120137800000000,  0.0079189400000000 ]  - [  -0.0000176400000000, -0.0009732200000000,  0.0003465500000000 ]  - [   0.0020270700000000,  0.0028365400000000, -0.0019154000000000 ]  - [  -0.0004140600000000, -0.0012310300000000,  0.0005573300000000 ]  - [  -0.0020187300000000,  0.0051425600000000, -0.0126224500000000 ]  - [   0.0004648500000000, -0.0012419600000000,  0.0005856900000000 ]  - [   0.0003811800000000, -0.0007101600000000, -0.0005902400000000 ]  - [   0.0003833200000000, -0.0013263400000000, -0.0007635800000000 ]  - [  -0.0022732600000000,  0.0017967800000000,  0.0004930900000000 ]  - [   0.0004240600000000, -0.0012729300000000, -0.0005825600000000 ]  - [  -0.0017046500000000,  0.0017723700000000, -0.0002398600000000 ]  - [  -0.0004577200000000, -0.0012361200000000,  0.0005873700000000 ]  - [  -0.0030577600000000,  0.0030523500000000, -0.0026504300000000 ]  - [   0.0004428000000000, -0.0012488900000000,  0.0005588900000000 ]  - [  -0.0044533900000000,  0.0033064300000000, -0.0183430300000000 ]  - [  -0.0000040200000000, -0.0009292800000000,  0.0002919800000000 ]  - [   0.0007906900000000, -0.0006043800000000, -0.0009219000000000 ]  - [  -0.0000353500000000, -0.0005450600000000, -0.0000381300000000 ]  - [  -0.0019065500000000,  0.0011848500000000,  0.0018986000000000 ]  - [   0.0000042500000000, -0.0009328900000000, -0.0002909100000000 ]  - [  -0.0066392000000000, -0.0094931500000000, -0.0075254600000000 ]  - [  -0.0005120700000000, -0.0013290500000000, -0.0006047400000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0019206100000000, -0.0013133100000000, -0.0013448800000000 ]  - [  -0.0000024700000000, -0.0021790300000000, -0.0001201400000000 ]  - [  -0.0025715100000000, -0.0017624700000000,  0.0015675500000000 ]  - [   0.0000179200000000, -0.0022962000000000,  0.0001760000000000 ]  - [   0.0026531300000000, -0.0036070300000000,  0.0022029800000000 ]  - [  -0.0001147100000000, -0.0033910200000000, -0.0000482800000000 ]  - [  -0.0020615500000000, -0.0018707600000000,  0.0016097200000000 ]  - [   0.0000738900000000, -0.0027529500000000, -0.0000019400000000 ]  - [   0.0003506100000000,  0.0100416600000000,  0.0021043300000000 ]  - [  -0.0000056800000000, -0.0022802000000000, -0.0001468300000000 ]  - [   0.0003054400000000,  0.0058878000000000,  0.0011389800000000 ]  - [   0.0000095900000000, -0.0022864400000000,  0.0001517400000000 ]  - [  -0.0011656200000000,  0.0069856900000000, -0.0008441100000000 ]  - [  -0.0000009800000000, -0.0029477000000000,  0.0000058500000000 ]  - [   0.0011154800000000,  0.0098377400000000,  0.0002815400000000 ]  - [   0.0000026300000000, -0.0029567000000000,  0.0000082100000000 ]  - [   0.0045639500000000,  0.0421079400000000,  0.0125554000000000 ]  - [  -0.0000245800000000, -0.0076730600000000, -0.0000948400000000 ]  - [   0.0118367500000000, -0.0088814100000000,  0.0062228300000000 ]  - [  -0.0001214700000000, -0.0079510700000000,  0.0003605200000000 ]  - [  -0.0025991700000000,  0.0186218400000000,  0.0051163300000000 ]  - [   0.0000127400000000, -0.0076122400000000, -0.0000569800000000 ]  - [  -0.0092723000000000, -0.0078380400000000, -0.0053473200000000 ]  - [   0.0000792100000000, -0.0079078000000000, -0.0001491400000000 ]  - [  -0.0034293500000000, -0.0072793700000000, -0.0092934400000000 ]  - [  -0.0000150000000000, -0.0072541400000000, -0.0000878000000000 ]  - [  -0.0036624700000000,  0.0185541700000000, -0.0019089700000000 ]  - [  -0.0000530900000000, -0.0078987100000000,  0.0001814500000000 ]  - [   0.0031591400000000, -0.0086071000000000, -0.0108295400000000 ]  - [  -0.0000384400000000, -0.0078341200000000, -0.0000389600000000 ]  - [  -0.0022918600000000,  0.0316337800000000, -0.0014802000000000 ]  - [   0.0000356400000000, -0.0079070100000000, -0.0002002200000000 ]  - [  -0.0516561100000000, -0.1428054200000000, -0.0677955000000000 ]  - [   0.0012512600000000,  0.0034959100000000,  0.0016308200000000 ]  - [  -0.0020833100000000, -0.0018217800000000, -0.0024993900000000 ]  - [   0.0000170900000000,  0.0026365900000000,  0.0008611300000000 ]  - [   0.0001409700000000,  0.0013589400000000,  0.0010681900000000 ]  - [   0.0000972300000000,  0.0015652400000000,  0.0001020600000000 ]  - [   0.0017139700000000, -0.0022382200000000,  0.0020214700000000 ]  - [   0.0000012100000000,  0.0025955900000000, -0.0008619900000000 ]  - [  -0.0015852100000000, -0.0032119900000000,  0.0008165400000000 ]  - [   0.0012346300000000,  0.0033917700000000, -0.0015981200000000 ]  - [  -0.0010522300000000,  0.0033240800000000, -0.0008578600000000 ]  - [  -0.0017255200000000,  0.0033238100000000, -0.0017905900000000 ]  - [   0.0103956500000000, -0.0168164000000000, -0.0088659600000000 ]  - [  -0.0012415500000000,  0.0034693800000000,  0.0016152100000000 ]  - [  -0.0038879700000000,  0.0198721700000000,  0.0144525400000000 ]  - [  -0.0012418400000000,  0.0035114000000000,  0.0016699800000000 ]  - [   0.0010155200000000,  0.0036803000000000, -0.0009846900000000 ]  - [   0.0007519000000000,  0.0036737200000000, -0.0022970500000000 ]  - [  -0.0047947500000000,  0.0279443300000000, -0.0050528500000000 ]  - [  -0.0012232600000000,  0.0033999300000000, -0.0016017600000000 ]  - [   0.0002983200000000,  0.0027943300000000, -0.0010587700000000 ]  - [   0.0010151000000000,  0.0022661800000000, -0.0002649500000000 ]  - [   0.0206464300000000, -0.0004984100000000,  0.0007923100000000 ]  - [  -0.0000058400000000,  0.0016070300000000, -0.0000265500000000 ]  - [  -0.0000199500000000,  0.0024601100000000,  0.0006748800000000 ]  - [  -0.0017594200000000,  0.0029700400000000,  0.0007662800000000 ]  - [   0.0155032700000000,  0.0170669700000000,  0.0106879700000000 ]  - [   0.0012902600000000,  0.0034335400000000,  0.0016281600000000 ]  - [   0.0017293200000000,  0.0037267200000000,  0.0024608200000000 ]  - [   0.0019557700000000,  0.0037307300000000,  0.0021607900000000 ]  - [  -0.0002753600000000, -0.0042095800000000, -0.0044402900000000 ]  - [  -0.0000368800000000,  0.0026604600000000,  0.0008771100000000 ]  - [  -0.0136933200000000, -0.0005602200000000,  0.0083330400000000 ]  - [   0.0000093000000000,  0.0016154100000000,  0.0000513700000000 ]  - [   0.0108428600000000,  0.0131262600000000, -0.0106863200000000 ]  - [   0.0000159900000000,  0.0026341300000000, -0.0008593800000000 ]  - [  -0.0028494200000000, -0.0047205200000000,  0.0035203500000000 ]  - [   0.0012467000000000,  0.0035184300000000, -0.0016703500000000 ]  - [   0.0052147300000000, -0.0162928000000000,  0.0098222800000000 ]  - [  -0.0012430300000000,  0.0034899000000000, -0.0016119300000000 ]  - [  -0.0013322100000000,  0.0038338100000000,  0.0026896300000000 ]  - [  -0.0007101700000000,  0.0038287400000000,  0.0021594900000000 ]  - [   0.0018043800000000, -0.0025333000000000, -0.0006645300000000 ]  - [  -0.0012886000000000,  0.0035186800000000,  0.0016685700000000 ]  - [  -0.0017879700000000, -0.0077354600000000,  0.0036575100000000 ]  - [   0.0012372400000000,  0.0034617400000000, -0.0016011900000000 ]  - [   0.0030660000000000, -0.0045439500000000,  0.0031193500000000 ]  - [  -0.0012641900000000,  0.0033797600000000, -0.0015850200000000 ]  - [   0.0033849900000000, -0.0128274400000000,  0.0129603400000000 ]  - [  -0.0000035000000000,  0.0026540500000000, -0.0009049400000000 ]  - [   0.0003376200000000,  0.0010350600000000,  0.0019569000000000 ]  - [  -0.0000773600000000,  0.0016073000000000, -0.0000615300000000 ]  - [   0.0010053300000000, -0.0055387300000000,  0.0014325000000000 ]  - [   0.0000041900000000,  0.0026574300000000,  0.0009074000000000 ]  - [   0.0095608700000000,  0.0230288600000000,  0.0196805800000000 ]  - [   0.0013443800000000,  0.0036226800000000,  0.0017061100000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0019288900000000,  0.0013024200000000,  0.0013535800000000 ]  - [   0.0000020300000000,  0.0021810900000000,  0.0001226800000000 ]  - [   0.0025898400000000,  0.0017542700000000, -0.0015737100000000 ]  - [  -0.0000168300000000,  0.0023001500000000, -0.0001746500000000 ]  - [  -0.0026334400000000,  0.0036086700000000, -0.0021932400000000 ]  - [   0.0001185800000000,  0.0033964300000000,  0.0000512100000000 ]  - [   0.0020487800000000,  0.0018819600000000, -0.0016082300000000 ]  - [  -0.0000770700000000,  0.0027528500000000,  0.0000038900000000 ]  - [  -0.0005372100000000, -0.0099445900000000, -0.0020444500000000 ]  - [   0.0000069800000000,  0.0022819400000000,  0.0001479500000000 ]  - [  -0.0002873800000000, -0.0058548800000000, -0.0011405400000000 ]  - [  -0.0000097200000000,  0.0022882700000000, -0.0001507200000000 ]  - [   0.0011630100000000, -0.0070158100000000,  0.0008545300000000 ]  - [   0.0000033100000000,  0.0029502500000000, -0.0000039100000000 ]  - [  -0.0011381700000000, -0.0099366500000000, -0.0001548600000000 ]  - [  -0.0000047400000000,  0.0029592200000000, -0.0000067200000000 ]  - [  -0.0054895600000000, -0.0441951400000000, -0.0152943000000000 ]  - [   0.0000252100000000,  0.0076790200000000,  0.0000947700000000 ]  - [  -0.0119459600000000,  0.0089065400000000, -0.0062840400000000 ]  - [   0.0001164900000000,  0.0079570800000000, -0.0003627400000000 ]  - [   0.0026293400000000, -0.0187219800000000, -0.0051605900000000 ]  - [  -0.0000127600000000,  0.0076171800000000,  0.0000564500000000 ]  - [   0.0093046000000000,  0.0078255400000000,  0.0053773600000000 ]  - [  -0.0000741200000000,  0.0079163200000000,  0.0001483700000000 ]  - [   0.0034161500000000,  0.0073228400000000,  0.0092997800000000 ]  - [   0.0000131600000000,  0.0072575000000000,  0.0000824700000000 ]  - [   0.0036213100000000, -0.0184757700000000,  0.0019046600000000 ]  - [   0.0000541900000000,  0.0079047900000000, -0.0001819300000000 ]  - [  -0.0031314700000000,  0.0085801900000000,  0.0107713600000000 ]  - [   0.0000406600000000,  0.0078404800000000,  0.0000313800000000 ]  - [   0.0040995900000000, -0.0304621400000000,  0.0022944300000000 ]  - [  -0.0000383700000000,  0.0079159200000000,  0.0001996100000000 ]  - [   0.0509327200000000,  0.1438428800000000,  0.0694864800000000 ]  - [  -0.0012759200000000, -0.0034891100000000, -0.0016490300000000 ]  - [   0.0020868000000000,  0.0018259200000000,  0.0024821800000000 ]  - [  -0.0000166000000000, -0.0026695700000000, -0.0009110500000000 ]  - [  -0.0001600300000000, -0.0013682400000000, -0.0009875600000000 ]  - [  -0.0000983000000000, -0.0015659100000000, -0.0000171600000000 ]  - [  -0.0017086800000000,  0.0022331800000000, -0.0019828400000000 ]  - [  -0.0000017600000000, -0.0026282800000000,  0.0009099200000000 ]  - [   0.0016251700000000,  0.0032379900000000, -0.0008492300000000 ]  - [  -0.0012123900000000, -0.0034044200000000,  0.0015804300000000 ]  - [   0.0010792200000000, -0.0033221200000000,  0.0008807600000000 ]  - [   0.0017577900000000, -0.0033225200000000,  0.0018151600000000 ]  - [  -0.0104698500000000,  0.0168175000000000,  0.0088710500000000 ]  - [   0.0012657400000000, -0.0034621600000000, -0.0016341300000000 ]  - [   0.0038220300000000, -0.0196260800000000, -0.0142388100000000 ]  - [   0.0012193800000000, -0.0035236700000000, -0.0016512200000000 ]  - [  -0.0010398500000000, -0.0036689800000000,  0.0010044000000000 ]  - [  -0.0007752200000000, -0.0036757500000000,  0.0023290800000000 ]  - [   0.0048282300000000, -0.0284224000000000,  0.0051208700000000 ]  - [   0.0012012100000000, -0.0034118300000000,  0.0015850900000000 ]  - [  -0.0002956100000000, -0.0027619900000000,  0.0010082800000000 ]  - [  -0.0010217700000000, -0.0022304500000000,  0.0002099400000000 ]  - [  -0.0207678000000000,  0.0005526300000000, -0.0008489500000000 ]  - [   0.0000058000000000, -0.0016085400000000, -0.0000575300000000 ]  - [   0.0000200800000000, -0.0024320200000000, -0.0006280900000000 ]  - [   0.0017782800000000, -0.0029507300000000, -0.0007263600000000 ]  - [  -0.0154206600000000, -0.0169868400000000, -0.0106603600000000 ]  - [  -0.0012677000000000, -0.0034447900000000, -0.0016106400000000 ]  - [  -0.0017553100000000, -0.0037248100000000, -0.0024826300000000 ]  - [  -0.0019807900000000, -0.0037208500000000, -0.0021794500000000 ]  - [   0.0002743500000000,  0.0041547800000000,  0.0043992300000000 ]  - [   0.0000371800000000, -0.0026944700000000, -0.0009268600000000 ]  - [   0.0137616600000000,  0.0006227100000000, -0.0083039900000000 ]  - [  -0.0000091800000000, -0.0016168900000000,  0.0000336700000000 ]  - [  -0.0106931600000000, -0.0130060600000000,  0.0105546900000000 ]  - [  -0.0000160600000000, -0.0026676000000000,  0.0009088800000000 ]  - [   0.0028564000000000,  0.0046807200000000, -0.0035178400000000 ]  - [  -0.0012242500000000, -0.0035316000000000,  0.0016533600000000 ]  - [  -0.0051378500000000,  0.0163619900000000, -0.0096865100000000 ]  - [   0.0012679100000000, -0.0034834300000000,  0.0016313600000000 ]  - [   0.0013538300000000, -0.0038156400000000, -0.0026981500000000 ]  - [   0.0007305800000000, -0.0038206900000000, -0.0021811800000000 ]  - [  -0.0018482300000000,  0.0025504300000000,  0.0006973600000000 ]  - [   0.0012658100000000, -0.0035305100000000, -0.0016507700000000 ]  - [   0.0017723400000000,  0.0077553400000000, -0.0036388900000000 ]  - [  -0.0012617800000000, -0.0034553600000000,  0.0016217500000000 ]  - [  -0.0030736200000000,  0.0045095100000000, -0.0031257500000000 ]  - [   0.0012415800000000, -0.0033908800000000,  0.0015682200000000 ]  - [  -0.0034450800000000,  0.0127443100000000, -0.0130412300000000 ]  - [   0.0000033300000000, -0.0026248000000000,  0.0008572700000000 ]  - [  -0.0003243300000000, -0.0010364300000000, -0.0020319200000000 ]  - [   0.0000786600000000, -0.0016080500000000, -0.0000213800000000 ]  - [  -0.0009853100000000,  0.0055622800000000, -0.0014009000000000 ]  - [  -0.0000041600000000, -0.0026283600000000, -0.0008595600000000 ]  - [  -0.0095801200000000, -0.0232594000000000, -0.0197798700000000 ]  - [  -0.0013222000000000, -0.0036339300000000, -0.0016894500000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0011325900000000, -0.0010490200000000, -0.0015618900000000 ]  - [  -0.0000095700000000, -0.0009862900000000, -0.0002156500000000 ]  - [  -0.0005320800000000, -0.0002710900000000,  0.0013125200000000 ]  - [   0.0000460600000000, -0.0010879200000000,  0.0002604700000000 ]  - [   0.0006315000000000,  0.0001696100000000,  0.0010883100000000 ]  - [   0.0001326300000000, -0.0015528600000000,  0.0001702200000000 ]  - [  -0.0005332800000000, -0.0003654000000000,  0.0009381300000000 ]  - [  -0.0001086100000000, -0.0012934600000000,  0.0001432700000000 ]  - [   0.0020071700000000,  0.0031953500000000,  0.0039824000000000 ]  - [  -0.0000032500000000, -0.0010555700000000, -0.0000702800000000 ]  - [   0.0021791300000000,  0.0029829300000000, -0.0065156700000000 ]  - [   0.0000066200000000, -0.0010739600000000,  0.0000808900000000 ]  - [  -0.0030059800000000,  0.0050136300000000, -0.0018989200000000 ]  - [  -0.0000042300000000, -0.0013819600000000,  0.0000030300000000 ]  - [   0.0056150600000000,  0.0090982800000000, -0.0074191700000000 ]  - [   0.0000063000000000, -0.0013933900000000,  0.0000025200000000 ]  - [   0.0072530200000000,  0.0213799700000000,  0.0329706400000000 ]  - [  -0.0000129700000000, -0.0035621400000000, -0.0000464400000000 ]  - [   0.0030187200000000, -0.0013949800000000,  0.0037802400000000 ]  - [  -0.0002203500000000, -0.0037629900000000,  0.0007770200000000 ]  - [   0.0024674200000000,  0.0099301800000000,  0.0078945800000000 ]  - [   0.0000061400000000, -0.0035350400000000, -0.0000328100000000 ]  - [  -0.0075888800000000, -0.0068411700000000, -0.0055570400000000 ]  - [   0.0000409000000000, -0.0036822600000000, -0.0006654700000000 ]  - [  -0.0021517300000000, -0.0046481300000000, -0.0060576700000000 ]  - [  -0.0002132000000000, -0.0033339400000000, -0.0007498500000000 ]  - [  -0.0095051100000000,  0.0144799600000000, -0.0079733100000000 ]  - [  -0.0000353400000000, -0.0036836300000000,  0.0001076300000000 ]  - [   0.0021740000000000, -0.0055896400000000, -0.0077723100000000 ]  - [   0.0001774100000000, -0.0036580200000000, -0.0009096500000000 ]  - [  -0.0092340200000000, -0.0049037900000000,  0.0218630600000000 ]  - [   0.0000212600000000, -0.0036798300000000, -0.0000979300000000 ]  - [  -0.0395934500000000, -0.0675686300000000, -0.1073018000000000 ]  - [   0.0005807500000000,  0.0016391500000000,  0.0007623400000000 ]  - [   0.0002591700000000, -0.0029078800000000, -0.0014225600000000 ]  - [   0.0000331100000000,  0.0012317700000000,  0.0003469700000000 ]  - [   0.0000081900000000,  0.0009217700000000,  0.0008149200000000 ]  - [   0.0000578900000000,  0.0007212700000000,  0.0002105400000000 ]  - [   0.0005194700000000, -0.0031259800000000,  0.0033826300000000 ]  - [  -0.0000085300000000,  0.0011753100000000, -0.0003104900000000 ]  - [  -0.0000648700000000, -0.0008308400000000, -0.0011358000000000 ]  - [   0.0005849500000000,  0.0015791300000000, -0.0007892900000000 ]  - [  -0.0005144000000000,  0.0018009400000000, -0.0005696900000000 ]  - [  -0.0003161500000000,  0.0008720100000000, -0.0005692600000000 ]  - [   0.0079989200000000, -0.0088306100000000, -0.0084466100000000 ]  - [  -0.0005748900000000,  0.0016239900000000,  0.0007535000000000 ]  - [  -0.0025686400000000,  0.0143621200000000,  0.0061261900000000 ]  - [  -0.0005957800000000,  0.0016503400000000,  0.0008689100000000 ]  - [   0.0005676200000000,  0.0023172200000000, -0.0006229400000000 ]  - [   0.0000651100000000,  0.0009976400000000, -0.0006228100000000 ]  - [  -0.0026281000000000,  0.0051283500000000, -0.0086606100000000 ]  - [  -0.0005651600000000,  0.0015835600000000, -0.0007982600000000 ]  - [  -0.0000290500000000,  0.0006993400000000, -0.0001708300000000 ]  - [   0.0006278300000000,  0.0015374000000000, -0.0004637300000000 ]  - [   0.0115836900000000,  0.0002758800000000, -0.0045485700000000 ]  - [  -0.0000021200000000,  0.0007512600000000, -0.0000331000000000 ]  - [   0.0000598700000000,  0.0006504500000000,  0.0000139000000000 ]  - [  -0.0004291500000000,  0.0006488100000000, -0.0006428000000000 ]  - [   0.0091476400000000,  0.0106249300000000,  0.0069475800000000 ]  - [   0.0006307900000000,  0.0016093700000000,  0.0008385300000000 ]  - [   0.0009854500000000,  0.0021686600000000,  0.0016566000000000 ]  - [   0.0014352500000000,  0.0024680100000000,  0.0016563300000000 ]  - [   0.0010241100000000, -0.0025697800000000, -0.0025500300000000 ]  - [  -0.0000048500000000,  0.0011994600000000,  0.0003710900000000 ]  - [  -0.0161734100000000,  0.0057310500000000,  0.0073567800000000 ]  - [   0.0000040600000000,  0.0007563500000000,  0.0000479100000000 ]  - [  -0.0027363700000000, -0.0027041900000000, -0.0056147200000000 ]  - [   0.0000136900000000,  0.0012154800000000, -0.0003947900000000 ]  - [  -0.0018946300000000, -0.0035065100000000,  0.0033034200000000 ]  - [   0.0005810300000000,  0.0016512200000000, -0.0007358500000000 ]  - [   0.0125866000000000, -0.0096923000000000,  0.0250240300000000 ]  - [  -0.0005667500000000,  0.0016206800000000, -0.0007428800000000 ]  - [  -0.0007477000000000,  0.0021727700000000,  0.0017011400000000 ]  - [  -0.0005693100000000,  0.0026881700000000,  0.0016987300000000 ]  - [   0.0004908300000000, -0.0006784500000000,  0.0000742100000000 ]  - [  -0.0006058800000000,  0.0016491300000000,  0.0008296200000000 ]  - [  -0.0002619900000000, -0.0036370200000000,  0.0018481800000000 ]  - [   0.0005680900000000,  0.0016104800000000, -0.0007394000000000 ]  - [   0.0026289900000000, -0.0031092600000000,  0.0029313400000000 ]  - [  -0.0005816900000000,  0.0015666800000000, -0.0006991200000000 ]  - [   0.0165090800000000,  0.0012783000000000,  0.0218568500000000 ]  - [  -0.0000026400000000,  0.0012421600000000, -0.0004311100000000 ]  - [   0.0001908800000000,  0.0005784900000000,  0.0013690500000000 ]  - [  -0.0000370500000000,  0.0008331500000000,  0.0001101400000000 ]  - [   0.0003384400000000, -0.0007313300000000,  0.0058118200000000 ]  - [   0.0000050500000000,  0.0012482500000000,  0.0004362800000000 ]  - [   0.0076016600000000,  0.0196618200000000,  0.0211855400000000 ]  - [   0.0006270000000000,  0.0016870400000000,  0.0008511200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0011408300000000,  0.0010636000000000,  0.0015606800000000 ]  - [   0.0000094500000000,  0.0009934000000000,  0.0002174300000000 ]  - [   0.0005307400000000,  0.0002734700000000, -0.0013042300000000 ]  - [  -0.0000444800000000,  0.0010969500000000, -0.0002573500000000 ]  - [  -0.0006498600000000, -0.0001472200000000, -0.0010997300000000 ]  - [  -0.0001331900000000,  0.0015608700000000, -0.0001704200000000 ]  - [   0.0005475700000000,  0.0003763200000000, -0.0009494800000000 ]  - [   0.0001088300000000,  0.0013011800000000, -0.0001430700000000 ]  - [  -0.0020462100000000, -0.0031954900000000, -0.0039667700000000 ]  - [   0.0000046900000000,  0.0010628000000000,  0.0000725400000000 ]  - [  -0.0022026200000000, -0.0030321000000000,  0.0064745000000000 ]  - [  -0.0000066800000000,  0.0010814600000000, -0.0000799000000000 ]  - [   0.0030053700000000, -0.0050229200000000,  0.0019169800000000 ]  - [   0.0000066400000000,  0.0013913900000000, -0.0000004100000000 ]  - [  -0.0056402400000000, -0.0091690700000000,  0.0076099400000000 ]  - [  -0.0000083200000000,  0.0014027900000000, -0.0000005100000000 ]  - [  -0.0080655100000000, -0.0237837100000000, -0.0345616900000000 ]  - [   0.0000139600000000,  0.0035866600000000,  0.0000483800000000 ]  - [  -0.0030053100000000,  0.0013898000000000, -0.0037533700000000 ]  - [   0.0002142400000000,  0.0037870800000000, -0.0007760700000000 ]  - [  -0.0025051900000000, -0.0100269700000000, -0.0080070300000000 ]  - [  -0.0000063100000000,  0.0035580300000000,  0.0000333200000000 ]  - [   0.0076342900000000,  0.0069044900000000,  0.0055594700000000 ]  - [  -0.0000390800000000,  0.0037099600000000,  0.0006585800000000 ]  - [   0.0021715900000000,  0.0046878500000000,  0.0061363200000000 ]  - [   0.0002151000000000,  0.0033588800000000,  0.0007566300000000 ]  - [   0.0096180600000000, -0.0146392000000000,  0.0079798900000000 ]  - [   0.0000361200000000,  0.0037086200000000, -0.0001090700000000 ]  - [  -0.0021807800000000,  0.0055830000000000,  0.0078064600000000 ]  - [  -0.0001787900000000,  0.0036813900000000,  0.0009181100000000 ]  - [   0.0097553200000000,  0.0052637500000000, -0.0218049400000000 ]  - [  -0.0000238400000000,  0.0037080300000000,  0.0000983200000000 ]  - [   0.0399485000000000,  0.0696957700000000,  0.1088719700000000 ]  - [  -0.0006085300000000, -0.0016410900000000, -0.0007841300000000 ]  - [  -0.0002463000000000,  0.0028632800000000,  0.0013545700000000 ]  - [  -0.0000323700000000, -0.0012713200000000, -0.0003989800000000 ]  - [  -0.0000233900000000, -0.0009285000000000, -0.0007403800000000 ]  - [  -0.0000578900000000, -0.0007262900000000, -0.0001263000000000 ]  - [  -0.0005373400000000,  0.0030849000000000, -0.0033427700000000 ]  - [   0.0000079700000000, -0.0012149900000000,  0.0003624900000000 ]  - [   0.0000899100000000,  0.0008347500000000,  0.0011199600000000 ]  - [  -0.0005651600000000, -0.0015993200000000,  0.0007754300000000 ]  - [   0.0005424500000000, -0.0018047100000000,  0.0005880500000000 ]  - [   0.0003401200000000, -0.0008665600000000,  0.0005884700000000 ]  - [  -0.0081013200000000,  0.0089058900000000,  0.0084647800000000 ]  - [   0.0006021700000000, -0.0016253500000000, -0.0007759500000000 ]  - [   0.0025553900000000, -0.0143278900000000, -0.0061506200000000 ]  - [   0.0005765000000000, -0.0016706500000000, -0.0008543800000000 ]  - [  -0.0005923900000000, -0.0023089000000000,  0.0006401400000000 ]  - [  -0.0000881200000000, -0.0009913100000000,  0.0006401100000000 ]  - [   0.0026179600000000, -0.0050440700000000,  0.0086996000000000 ]  - [   0.0005456600000000, -0.0016030300000000,  0.0007852300000000 ]  - [   0.0000261400000000, -0.0006809900000000,  0.0001281200000000 ]  - [  -0.0006314500000000, -0.0015216200000000,  0.0004258600000000 ]  - [  -0.0116073800000000, -0.0002342700000000,  0.0045465500000000 ]  - [   0.0000022400000000, -0.0007566400000000, -0.0000507200000000 ]  - [  -0.0000586800000000, -0.0006301800000000,  0.0000315500000000 ]  - [   0.0004268100000000, -0.0006184100000000,  0.0006976500000000 ]  - [  -0.0092120900000000, -0.0107226100000000, -0.0069489800000000 ]  - [  -0.0006114600000000, -0.0016292600000000, -0.0008254500000000 ]  - [  -0.0010153500000000, -0.0021713800000000, -0.0016824200000000 ]  - [  -0.0014673000000000, -0.0024750700000000, -0.0016826100000000 ]  - [  -0.0010290000000000,  0.0025703100000000,  0.0025519200000000 ]  - [   0.0000049000000000, -0.0012395600000000, -0.0004221900000000 ]  - [   0.0163839300000000, -0.0058208300000000, -0.0073355700000000 ]  - [  -0.0000039700000000, -0.0007618100000000,  0.0000377800000000 ]  - [   0.0026944400000000,  0.0025981900000000,  0.0057313800000000 ]  - [  -0.0000139100000000, -0.0012557600000000,  0.0004475500000000 ]  - [   0.0019315600000000,  0.0035314500000000, -0.0033387700000000 ]  - [  -0.0005614500000000, -0.0016724100000000,  0.0007218500000000 ]  - [  -0.0127887400000000,  0.0098169800000000, -0.0253890100000000 ]  - [   0.0005947200000000, -0.0016227800000000,  0.0007669100000000 ]  - [   0.0007736500000000, -0.0021678600000000, -0.0017246300000000 ]  - [   0.0005989900000000, -0.0026992400000000, -0.0017269000000000 ]  - [  -0.0005166600000000,  0.0006833900000000, -0.0000395900000000 ]  - [   0.0005865200000000, -0.0016698700000000, -0.0008151800000000 ]  - [   0.0002320400000000,  0.0036590100000000, -0.0018163800000000 ]  - [  -0.0005956000000000, -0.0016126300000000,  0.0007645100000000 ]  - [  -0.0026777300000000,  0.0031356900000000, -0.0029708100000000 ]  - [   0.0005618600000000, -0.0015864000000000,  0.0006861900000000 ]  - [  -0.0162437900000000, -0.0011479900000000, -0.0216833000000000 ]  - [   0.0000024400000000, -0.0012189200000000,  0.0003856700000000 ]  - [  -0.0001843600000000, -0.0005808900000000, -0.0014619700000000 ]  - [   0.0000372800000000, -0.0008396000000000, -0.0001957700000000 ]  - [  -0.0003703500000000,  0.0007982100000000, -0.0057995000000000 ]  - [  -0.0000049400000000, -0.0012251500000000, -0.0003894600000000 ]  - [  -0.0076234600000000, -0.0197985200000000, -0.0213670800000000 ]  - [  -0.0006084100000000, -0.0017083000000000, -0.0008380200000000 ]- atom:   35  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002971400000000,  0.0000655200000000, -0.0001108500000000 ]  - [  -0.0000077900000000, -0.0000055100000000,  0.0000005700000000 ]  - [  -0.0060348000000000,  0.0000223000000000,  0.0000221600000000 ]  - [   0.0000045100000000, -0.0000050200000000,  0.0000013300000000 ]  - [   0.0000043200000000,  0.0000820500000000, -0.0000134200000000 ]  - [   0.0001205300000000, -0.0002200700000000, -0.0005067400000000 ]  - [   0.0000057600000000, -0.0000954200000000,  0.0000128500000000 ]  - [   0.0001585200000000,  0.0001910600000000,  0.0004958900000000 ]  - [  -0.0011698900000000, -0.0000076600000000,  0.0000103600000000 ]  - [  -0.0003720700000000, -0.0000055300000000,  0.0000015800000000 ]  - [   0.0010033300000000, -0.0000037200000000, -0.0000070200000000 ]  - [   0.0002389600000000, -0.0000061200000000, -0.0000006100000000 ]  - [   0.0133170500000000,  0.0106997000000000, -0.0002423100000000 ]  - [  -0.0000013900000000,  0.0000363300000000, -0.0000029900000000 ]  - [   0.0128051100000000, -0.0100655400000000,  0.0003591300000000 ]  - [  -0.0000039700000000, -0.0000504300000000,  0.0000046600000000 ]  - [  -0.0013634500000000,  0.0055072000000000, -0.0045581000000000 ]  - [  -0.0000010400000000, -0.0000482600000000, -0.0000106400000000 ]  - [   0.0143092000000000,  0.0001682500000000,  0.0001722600000000 ]  - [  -0.0000149100000000, -0.0000196000000000, -0.0000012100000000 ]  - [  -0.0013319700000000, -0.0054151500000000,  0.0045217600000000 ]  - [  -0.0000011100000000,  0.0000101800000000,  0.0000106000000000 ]  - [  -0.0067246500000000,  0.0000580900000000, -0.0000446600000000 ]  - [   0.0000302600000000, -0.0000180200000000, -0.0000027600000000 ]  - [  -0.0000286700000000,  0.0000402000000000, -0.0001177600000000 ]  - [  -0.0011095200000000,  0.0054262200000000, -0.0038503600000000 ]  - [  -0.0025834700000000, -0.0000240800000000, -0.0000352700000000 ]  - [  -0.0009809400000000, -0.0000184100000000, -0.0000060200000000 ]  - [  -0.0000324700000000, -0.0000796300000000,  0.0001234400000000 ]  - [  -0.0011356900000000, -0.0054374400000000,  0.0038918400000000 ]  - [   0.0031100300000000, -0.0000082400000000,  0.0000164900000000 ]  - [   0.0016237000000000, -0.0000174400000000,  0.0000028900000000 ]  - [  -0.0013161300000000, -0.0020902100000000,  0.0002336800000000 ]  - [  -0.0000792800000000,  0.0000297200000000,  0.0000276200000000 ]  - [  -0.0631972500000000, -0.0009237000000000, -0.0002381700000000 ]  - [   0.0000071500000000, -0.0000090600000000, -0.0000229500000000 ]  - [  -0.0000230500000000,  0.0000038000000000,  0.0000419100000000 ]  - [   0.0018907400000000,  0.0000005100000000,  0.0000402100000000 ]  - [   0.0069052600000000, -0.0000474200000000,  0.0000464000000000 ]  - [  -0.0000140000000000, -0.0000091500000000,  0.0000218800000000 ]  - [   0.0044062400000000,  0.0033842600000000, -0.0164269600000000 ]  - [   0.0000182100000000,  0.0000002400000000, -0.0000111900000000 ]  - [   0.0000261100000000, -0.0000029200000000,  0.0000184000000000 ]  - [   0.0026663800000000, -0.0107704300000000, -0.0027283200000000 ]  - [  -0.0012967700000000,  0.0020798700000000, -0.0002721500000000 ]  - [  -0.0000618200000000, -0.0000037500000000, -0.0000382900000000 ]  - [  -0.0001842500000000,  0.0000208900000000, -0.0000488500000000 ]  - [  -0.0005615900000000,  0.0017689500000000,  0.0004372100000000 ]  - [   0.0000085900000000,  0.0000289900000000, -0.0000084600000000 ]  - [   0.0027069500000000,  0.0107656200000000,  0.0027022300000000 ]  - [   0.0044627700000000, -0.0034465600000000,  0.0163245300000000 ]  - [  -0.0000112600000000,  0.0000073500000000, -0.0000156600000000 ]  - [  -0.0000265500000000,  0.0000221200000000, -0.0000268500000000 ]  - [   0.0009979700000000, -0.0000022300000000, -0.0000112100000000 ]  - [   0.0030660100000000, -0.0000087200000000, -0.0000444100000000 ]  - [   0.0000099200000000,  0.0000037600000000, -0.0000423600000000 ]  - [   0.0000238500000000,  0.0000218800000000,  0.0000263100000000 ]  - [   0.0048894600000000,  0.0001126900000000,  0.0001712600000000 ]  - [  -0.0001592600000000, -0.0000188100000000,  0.0000694400000000 ]  - [  -0.0005354300000000, -0.0017687400000000, -0.0004196600000000 ]  - [  -0.0000302900000000, -0.0000240600000000, -0.0000103400000000 ]  - [   0.0009418600000000, -0.0002895100000000,  0.0010162300000000 ]  - [   0.0004427100000000, -0.0000066400000000, -0.0000166200000000 ]  - [   0.0004426800000000, -0.0000040600000000, -0.0000187000000000 ]  - [  -0.0028441300000000, -0.0000107500000000,  0.0000411900000000 ]  - [  -0.0000107900000000,  0.0000037900000000,  0.0000423400000000 ]  - [  -0.0004323500000000, -0.0000118200000000,  0.0000221300000000 ]  - [  -0.0004324900000000, -0.0000058300000000,  0.0000204300000000 ]  - [   0.0003291500000000,  0.0003033900000000,  0.0000151800000000 ]  - [   0.0004284800000000,  0.0010174600000000, -0.0006421000000000 ]  - [   0.0011719200000000, -0.0017161500000000,  0.0005514200000000 ]  - [   0.0000637700000000,  0.0000113100000000, -0.0000027700000000 ]  - [  -0.0000129800000000,  0.0000502500000000, -0.0000009700000000 ]  - [   0.0009879300000000,  0.0002595500000000, -0.0010378700000000 ]  - [   0.0019055700000000, -0.0010139700000000, -0.0003376300000000 ]  - [  -0.0000192800000000, -0.0000004000000000,  0.0000081800000000 ]  - [   0.0011397500000000,  0.0017063100000000, -0.0005046200000000 ]  - [   0.0000460400000000,  0.0000142600000000,  0.0000141900000000 ]  - [   0.0002959200000000, -0.0002908700000000, -0.0000388700000000 ]  - [   0.0003989500000000, -0.0010189900000000,  0.0006178500000000 ]  - [  -0.0044241600000000,  0.0000250700000000, -0.0000362100000000 ]  - [  -0.0002543600000000,  0.0000223800000000, -0.0000270900000000 ]  - [   0.0000350700000000,  0.0000034100000000, -0.0000425900000000 ]  - [  -0.0014761000000000,  0.0000043500000000, -0.0000408200000000 ]  - [   0.0110514700000000,  0.0000599500000000,  0.0000504300000000 ]  - [   0.0001600900000000,  0.0000221800000000,  0.0000270600000000 ]  - [   0.0019300600000000,  0.0009767900000000,  0.0003703500000000 ]  - [   0.0000102400000000,  0.0000078900000000,  0.0000175400000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0114712300000000, -0.0212352900000000 ]  - [   0.0000000000000000, -0.0017499800000000, -0.0001196400000000 ]  - [   0.0000000000000000,  0.0062088800000000,  0.0006870500000000 ]  - [   0.0000000000000000, -0.0017491000000000,  0.0001201900000000 ]  - [  -0.0000480100000000, -0.0021130900000000, -0.0000254800000000 ]  - [  -0.0026080200000000, -0.0014071300000000, -0.0013792600000000 ]  - [   0.0000480100000000, -0.0021130900000000, -0.0000254800000000 ]  - [   0.0026080200000000, -0.0014071300000000, -0.0013792600000000 ]  - [   0.0000000000000000, -0.0016151600000000,  0.0021082800000000 ]  - [   0.0000000000000000, -0.0017316900000000, -0.0000756400000000 ]  - [   0.0000000000000000, -0.0018252900000000, -0.0019962400000000 ]  - [   0.0000000000000000, -0.0017727400000000,  0.0000734600000000 ]  - [   0.0097360800000000,  0.0127947600000000, -0.0003190200000000 ]  - [   0.0000287400000000, -0.0022714800000000,  0.0000125400000000 ]  - [  -0.0097360800000000,  0.0127947600000000, -0.0003190200000000 ]  - [  -0.0000287400000000, -0.0022714800000000,  0.0000125400000000 ]  - [  -0.0000775100000000,  0.0102490600000000, -0.0010397600000000 ]  - [  -0.0000231900000000, -0.0058228300000000, -0.0000255600000000 ]  - [   0.0000000000000000,  0.0485483300000000,  0.0430026000000000 ]  - [   0.0000000000000000, -0.0060361100000000,  0.0001682200000000 ]  - [   0.0000775100000000,  0.0102490600000000, -0.0010397600000000 ]  - [   0.0000231900000000, -0.0058228300000000, -0.0000255600000000 ]  - [   0.0000000000000000,  0.0159998000000000, -0.0039078700000000 ]  - [   0.0000000000000000, -0.0060505200000000, -0.0001835500000000 ]  - [   0.0000696700000000, -0.0060041900000000,  0.0001811200000000 ]  - [   0.0036331100000000, -0.0063348800000000,  0.0083376200000000 ]  - [   0.0000000000000000, -0.0059224300000000, -0.0083549600000000 ]  - [   0.0000000000000000, -0.0057691000000000, -0.0001351900000000 ]  - [  -0.0000696700000000, -0.0060041900000000,  0.0001811200000000 ]  - [  -0.0036331100000000, -0.0063348800000000,  0.0083376200000000 ]  - [   0.0000000000000000, -0.0056160600000000,  0.0065323400000000 ]  - [   0.0000000000000000, -0.0063208200000000, -0.0003089300000000 ]  - [  -0.0004718900000000, -0.0018359800000000, -0.0029094900000000 ]  - [   0.0009598600000000,  0.0026613000000000,  0.0012443700000000 ]  - [   0.0000000000000000, -0.1048993300000000, -0.0523894600000000 ]  - [   0.0000000000000000,  0.0020163700000000,  0.0006496600000000 ]  - [   0.0000000000000000,  0.0012016100000000,  0.0000265200000000 ]  - [   0.0000000000000000,  0.0004003000000000, -0.0006788900000000 ]  - [   0.0000000000000000, -0.0099680300000000,  0.0039988500000000 ]  - [   0.0000000000000000,  0.0020262200000000, -0.0006562100000000 ]  - [  -0.0033710100000000, -0.0128266600000000, -0.0011421000000000 ]  - [   0.0009651000000000,  0.0026381800000000, -0.0012412400000000 ]  - [  -0.0009536900000000,  0.0026590000000000, -0.0012282000000000 ]  - [  -0.0119893900000000,  0.0130295400000000,  0.0026285200000000 ]  - [   0.0004718900000000, -0.0018359800000000, -0.0029094900000000 ]  - [  -0.0009598600000000,  0.0026613000000000,  0.0012443700000000 ]  - [  -0.0008968700000000,  0.0024448400000000,  0.0006487100000000 ]  - [  -0.0009018100000000,  0.0029598900000000,  0.0006445800000000 ]  - [   0.0009536900000000,  0.0026590000000000, -0.0012282000000000 ]  - [   0.0119893900000000,  0.0130295400000000,  0.0026285200000000 ]  - [   0.0033710100000000, -0.0128266600000000, -0.0011421000000000 ]  - [  -0.0009651000000000,  0.0026381800000000, -0.0012412400000000 ]  - [   0.0000000000000000,  0.0020209800000000, -0.0006794100000000 ]  - [   0.0000000000000000, -0.0044707500000000,  0.0024510400000000 ]  - [   0.0000000000000000, -0.0020071900000000, -0.0004516600000000 ]  - [   0.0000000000000000,  0.0012239000000000, -0.0000412400000000 ]  - [   0.0000000000000000,  0.0020283300000000,  0.0006914000000000 ]  - [   0.0000000000000000,  0.0173872400000000,  0.0194998800000000 ]  - [   0.0008968700000000,  0.0024448400000000,  0.0006487100000000 ]  - [   0.0009018100000000,  0.0029598900000000,  0.0006445800000000 ]  - [   0.0009513400000000,  0.0026853900000000,  0.0012119400000000 ]  - [  -0.0034459300000000, -0.0041724900000000, -0.0025773400000000 ]  - [   0.0000000000000000,  0.0022869000000000,  0.0016731700000000 ]  - [   0.0000000000000000,  0.0022862100000000,  0.0009371200000000 ]  - [   0.0000000000000000, -0.0024282900000000,  0.0017112300000000 ]  - [   0.0000000000000000,  0.0012366800000000,  0.0000407300000000 ]  - [   0.0000000000000000,  0.0019479000000000, -0.0012173500000000 ]  - [   0.0000000000000000,  0.0019470400000000, -0.0004471900000000 ]  - [   0.0011556300000000,  0.0027763900000000, -0.0006990300000000 ]  - [   0.0010853000000000,  0.0022467800000000, -0.0015392800000000 ]  - [   0.0006421500000000, -0.0022450800000000,  0.0031307600000000 ]  - [  -0.0009225900000000,  0.0026196400000000, -0.0011871800000000 ]  - [  -0.0009513400000000,  0.0026853900000000,  0.0012119400000000 ]  - [   0.0034459300000000, -0.0041724900000000, -0.0025773400000000 ]  - [   0.0011705700000000, -0.0055618900000000, -0.0007479800000000 ]  - [  -0.0009683500000000,  0.0026417700000000,  0.0012475300000000 ]  - [  -0.0006421500000000, -0.0022450800000000,  0.0031307600000000 ]  - [   0.0009225900000000,  0.0026196400000000, -0.0011871800000000 ]  - [  -0.0011556300000000,  0.0027763900000000, -0.0006990300000000 ]  - [  -0.0010853000000000,  0.0022467800000000, -0.0015392800000000 ]  - [   0.0000000000000000,  0.0074720200000000, -0.0032337900000000 ]  - [   0.0000000000000000,  0.0021629400000000, -0.0007567200000000 ]  - [   0.0000000000000000,  0.0011857900000000, -0.0000573600000000 ]  - [   0.0000000000000000,  0.0011154600000000, -0.0007176400000000 ]  - [   0.0000000000000000,  0.0121410200000000,  0.0061459000000000 ]  - [   0.0000000000000000,  0.0019957900000000,  0.0006730700000000 ]  - [  -0.0011705700000000, -0.0055618900000000, -0.0007479800000000 ]  - [   0.0009683500000000,  0.0026417700000000,  0.0012475300000000 ]- atom:   35  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0114063500000000,  0.0215917400000000 ]  - [   0.0000000000000000,  0.0017462600000000,  0.0001211500000000 ]  - [   0.0000000000000000, -0.0062150200000000, -0.0006759000000000 ]  - [   0.0000000000000000,  0.0017455900000000, -0.0001186500000000 ]  - [   0.0000486600000000,  0.0021082300000000,  0.0000264700000000 ]  - [   0.0025994000000000,  0.0013912200000000,  0.0013803500000000 ]  - [  -0.0000486600000000,  0.0021082300000000,  0.0000264700000000 ]  - [  -0.0025994000000000,  0.0013912200000000,  0.0013803500000000 ]  - [   0.0000000000000000,  0.0016110000000000, -0.0020937600000000 ]  - [   0.0000000000000000,  0.0017282100000000,  0.0000774400000000 ]  - [   0.0000000000000000,  0.0018171300000000,  0.0019780900000000 ]  - [   0.0000000000000000,  0.0017686000000000, -0.0000729700000000 ]  - [  -0.0092550000000000, -0.0124840500000000,  0.0004018800000000 ]  - [  -0.0000270600000000,  0.0022667800000000, -0.0000108200000000 ]  - [   0.0092550000000000, -0.0124840500000000,  0.0004018800000000 ]  - [   0.0000270600000000,  0.0022667800000000, -0.0000108200000000 ]  - [   0.0000604900000000, -0.0101261100000000,  0.0009776300000000 ]  - [   0.0000210000000000,  0.0058072000000000,  0.0000252000000000 ]  - [   0.0000000000000000, -0.0489142000000000, -0.0454299500000000 ]  - [   0.0000000000000000,  0.0060188300000000, -0.0001715000000000 ]  - [  -0.0000604900000000, -0.0101261100000000,  0.0009776300000000 ]  - [  -0.0000210000000000,  0.0058072000000000,  0.0000252000000000 ]  - [   0.0000000000000000, -0.0159783600000000,  0.0038777600000000 ]  - [   0.0000000000000000,  0.0060393600000000,  0.0001797100000000 ]  - [  -0.0000703700000000,  0.0059873300000000, -0.0001817200000000 ]  - [  -0.0036260900000000,  0.0063166600000000, -0.0083601100000000 ]  - [   0.0000000000000000,  0.0059175800000000,  0.0083119800000000 ]  - [   0.0000000000000000,  0.0057537100000000,  0.0001302800000000 ]  - [   0.0000703700000000,  0.0059873300000000, -0.0001817200000000 ]  - [   0.0036260900000000,  0.0063166600000000, -0.0083601100000000 ]  - [   0.0000000000000000,  0.0056031700000000, -0.0064681400000000 ]  - [   0.0000000000000000,  0.0063089700000000,  0.0003094300000000 ]  - [   0.0004374400000000,  0.0018114900000000,  0.0028616500000000 ]  - [  -0.0009814200000000, -0.0026453700000000, -0.0012587700000000 ]  - [   0.0000000000000000,  0.1048152000000000,  0.0540886800000000 ]  - [   0.0000000000000000, -0.0020416200000000, -0.0006970600000000 ]  - [   0.0000000000000000, -0.0011992100000000,  0.0000581500000000 ]  - [   0.0000000000000000, -0.0003973300000000,  0.0007697400000000 ]  - [   0.0000000000000000,  0.0098855700000000, -0.0039323200000000 ]  - [   0.0000000000000000, -0.0020520600000000,  0.0007033300000000 ]  - [   0.0032938100000000,  0.0127446500000000,  0.0012826300000000 ]  - [  -0.0009387000000000, -0.0026409500000000,  0.0012198400000000 ]  - [   0.0009749900000000, -0.0026431400000000,  0.0012431900000000 ]  - [   0.0121229200000000, -0.0131037300000000, -0.0026743100000000 ]  - [  -0.0004374400000000,  0.0018114900000000,  0.0028616500000000 ]  - [   0.0009814200000000, -0.0026453700000000, -0.0012587700000000 ]  - [   0.0008697300000000, -0.0024478400000000, -0.0006320500000000 ]  - [   0.0008777800000000, -0.0029614200000000, -0.0006228800000000 ]  - [  -0.0009749900000000, -0.0026431400000000,  0.0012431900000000 ]  - [  -0.0121229200000000, -0.0131037300000000, -0.0026743100000000 ]  - [  -0.0032938100000000,  0.0127446500000000,  0.0012826300000000 ]  - [   0.0009387000000000, -0.0026409500000000,  0.0012198400000000 ]  - [   0.0000000000000000, -0.0019850300000000,  0.0006296000000000 ]  - [   0.0000000000000000,  0.0045006000000000, -0.0024943600000000 ]  - [   0.0000000000000000,  0.0019905700000000,  0.0003626500000000 ]  - [   0.0000000000000000, -0.0012210100000000, -0.0000429300000000 ]  - [   0.0000000000000000, -0.0019928200000000, -0.0006411300000000 ]  - [   0.0000000000000000, -0.0174623400000000, -0.0194151000000000 ]  - [  -0.0008697300000000, -0.0024478400000000, -0.0006320500000000 ]  - [  -0.0008777800000000, -0.0029614200000000, -0.0006228800000000 ]  - [  -0.0009728400000000, -0.0026699300000000, -0.0012272800000000 ]  - [   0.0034112000000000,  0.0041917100000000,  0.0025629900000000 ]  - [   0.0000000000000000, -0.0023119100000000, -0.0017134500000000 ]  - [   0.0000000000000000, -0.0023125100000000, -0.0009842600000000 ]  - [   0.0000000000000000,  0.0024113500000000, -0.0016113900000000 ]  - [   0.0000000000000000, -0.0012338000000000,  0.0000454700000000 ]  - [   0.0000000000000000, -0.0019724900000000,  0.0012580900000000 ]  - [   0.0000000000000000, -0.0019733000000000,  0.0004952400000000 ]  - [  -0.0011298100000000, -0.0027805600000000,  0.0006813700000000 ]  - [  -0.0010592400000000, -0.0022506300000000,  0.0015198800000000 ]  - [  -0.0006092100000000,  0.0022264300000000, -0.0030802400000000 ]  - [   0.0009439900000000, -0.0026046900000000,  0.0012030400000000 ]  - [   0.0009728400000000, -0.0026699300000000, -0.0012272800000000 ]  - [  -0.0034112000000000,  0.0041917100000000,  0.0025629900000000 ]  - [  -0.0012060200000000,  0.0055392600000000,  0.0007818800000000 ]  - [   0.0009425800000000, -0.0026442400000000, -0.0012260400000000 ]  - [   0.0006092100000000,  0.0022264300000000, -0.0030802400000000 ]  - [  -0.0009439900000000, -0.0026046900000000,  0.0012030400000000 ]  - [   0.0011298100000000, -0.0027805600000000,  0.0006813700000000 ]  - [   0.0010592400000000, -0.0022506300000000,  0.0015198800000000 ]  - [   0.0000000000000000, -0.0073627900000000,  0.0031633800000000 ]  - [   0.0000000000000000, -0.0021268500000000,  0.0007070700000000 ]  - [   0.0000000000000000, -0.0011830800000000, -0.0000274000000000 ]  - [   0.0000000000000000, -0.0011036200000000,  0.0006350600000000 ]  - [   0.0000000000000000, -0.0120325600000000, -0.0060689100000000 ]  - [   0.0000000000000000, -0.0019600900000000, -0.0006224500000000 ]  - [   0.0012060200000000,  0.0055392600000000,  0.0007818800000000 ]  - [  -0.0009425800000000, -0.0026442400000000, -0.0012260400000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0112824800000000,  0.0198618000000000 ]  - [   0.0000000000000000, -0.0005783600000000, -0.0000413400000000 ]  - [   0.0000000000000000,  0.0008968800000000,  0.0025041400000000 ]  - [   0.0000000000000000, -0.0005785600000000,  0.0000434700000000 ]  - [  -0.0000723400000000, -0.0006578500000000, -0.0000444400000000 ]  - [  -0.0021029400000000, -0.0009913400000000, -0.0020282000000000 ]  - [   0.0000723400000000, -0.0006578500000000, -0.0000444400000000 ]  - [   0.0021029400000000, -0.0009913400000000, -0.0020282000000000 ]  - [   0.0000000000000000, -0.0006665500000000,  0.0014910100000000 ]  - [   0.0000000000000000, -0.0006590300000000,  0.0002127200000000 ]  - [   0.0000000000000000, -0.0012239700000000, -0.0010879900000000 ]  - [   0.0000000000000000, -0.0003553400000000, -0.0003231400000000 ]  - [  -0.0016780900000000, -0.0007526400000000,  0.0006567900000000 ]  - [   0.0000090000000000, -0.0007333200000000,  0.0000111500000000 ]  - [   0.0016780900000000, -0.0007526400000000,  0.0006567900000000 ]  - [  -0.0000090000000000, -0.0007333200000000,  0.0000111500000000 ]  - [  -0.0013621600000000,  0.0104978500000000, -0.0142324700000000 ]  - [   0.0000033600000000, -0.0019475300000000, -0.0000126000000000 ]  - [   0.0000000000000000,  0.0392597900000000,  0.0760828600000000 ]  - [   0.0000000000000000, -0.0019937000000000,  0.0000642600000000 ]  - [   0.0013621600000000,  0.0104978500000000, -0.0142324700000000 ]  - [  -0.0000033600000000, -0.0019475300000000, -0.0000126000000000 ]  - [   0.0000000000000000,  0.0049105400000000, -0.0060397400000000 ]  - [   0.0000000000000000, -0.0020034700000000, -0.0000806000000000 ]  - [   0.0000779900000000, -0.0020276300000000,  0.0002204100000000 ]  - [   0.0005601200000000, -0.0004450000000000,  0.0090049100000000 ]  - [   0.0000000000000000, -0.0021928900000000, -0.0050019700000000 ]  - [   0.0000000000000000, -0.0017976900000000, -0.0010312500000000 ]  - [  -0.0000779900000000, -0.0020276300000000,  0.0002204100000000 ]  - [  -0.0005601200000000, -0.0004450000000000,  0.0090049100000000 ]  - [   0.0000000000000000, -0.0007682100000000,  0.0038649600000000 ]  - [   0.0000000000000000, -0.0021837800000000,  0.0005575300000000 ]  - [  -0.0005082300000000, -0.0024701100000000, -0.0013776000000000 ]  - [   0.0003032400000000,  0.0008856600000000,  0.0003625500000000 ]  - [   0.0000000000000000, -0.0506732400000000, -0.1882649600000000 ]  - [   0.0000000000000000,  0.0006542100000000,  0.0001958300000000 ]  - [   0.0000000000000000,  0.0003974400000000,  0.0000232000000000 ]  - [   0.0000000000000000,  0.0001147700000000, -0.0012356600000000 ]  - [   0.0000000000000000, -0.0039489600000000,  0.0014319400000000 ]  - [   0.0000000000000000,  0.0006601700000000, -0.0001986300000000 ]  - [  -0.0182902400000000, -0.0129373200000000,  0.0216829100000000 ]  - [   0.0003286300000000,  0.0008709900000000, -0.0004149500000000 ]  - [  -0.0003104000000000,  0.0008831800000000, -0.0004094800000000 ]  - [  -0.0079373400000000,  0.0106673900000000, -0.0056016200000000 ]  - [   0.0005082300000000, -0.0024701100000000, -0.0013776000000000 ]  - [  -0.0003032400000000,  0.0008856600000000,  0.0003625500000000 ]  - [  -0.0001894900000000,  0.0006425000000000,  0.0000007700000000 ]  - [  -0.0001795000000000,  0.0007439800000000, -0.0006613600000000 ]  - [   0.0003104000000000,  0.0008831800000000, -0.0004094800000000 ]  - [   0.0079373400000000,  0.0106673900000000, -0.0056016200000000 ]  - [   0.0182902400000000, -0.0129373200000000,  0.0216829100000000 ]  - [  -0.0003286300000000,  0.0008709900000000, -0.0004149500000000 ]  - [   0.0000000000000000,  0.0006663000000000, -0.0002298800000000 ]  - [   0.0000000000000000, -0.0024477100000000,  0.0032267200000000 ]  - [   0.0000000000000000, -0.0014021800000000,  0.0010352800000000 ]  - [   0.0000000000000000,  0.0004013400000000, -0.0000382900000000 ]  - [   0.0000000000000000,  0.0006777400000000,  0.0002453500000000 ]  - [   0.0000000000000000,  0.0193758000000000,  0.0598237800000000 ]  - [   0.0001894900000000,  0.0006425000000000,  0.0000007700000000 ]  - [   0.0001795000000000,  0.0007439800000000, -0.0006613600000000 ]  - [   0.0003075100000000,  0.0009007000000000,  0.0003849600000000 ]  - [   0.0014378400000000, -0.0044212200000000, -0.0025777000000000 ]  - [   0.0000000000000000,  0.0009400200000000,  0.0009584300000000 ]  - [   0.0000000000000000,  0.0016665900000000,  0.0009574300000000 ]  - [   0.0000000000000000,  0.0005497300000000,  0.0051781200000000 ]  - [   0.0000000000000000,  0.0003887000000000,  0.0000559300000000 ]  - [   0.0000000000000000,  0.0004524600000000, -0.0003718100000000 ]  - [   0.0000000000000000,  0.0012121100000000, -0.0003688200000000 ]  - [   0.0004616900000000,  0.0010225400000000, -0.0001587500000000 ]  - [   0.0001845000000000,  0.0002315300000000, -0.0004570300000000 ]  - [   0.0007432800000000, -0.0019816900000000,  0.0033548300000000 ]  - [  -0.0003266400000000,  0.0008846300000000, -0.0003248000000000 ]  - [  -0.0003075100000000,  0.0009007000000000,  0.0003849600000000 ]  - [  -0.0014378400000000, -0.0044212200000000, -0.0025777000000000 ]  - [   0.0018606200000000,  0.0014321200000000,  0.0058108600000000 ]  - [  -0.0003274300000000,  0.0008734600000000,  0.0004196100000000 ]  - [  -0.0007432800000000, -0.0019816900000000,  0.0033548300000000 ]  - [   0.0003266400000000,  0.0008846300000000, -0.0003248000000000 ]  - [  -0.0004616900000000,  0.0010225400000000, -0.0001587500000000 ]  - [  -0.0001845000000000,  0.0002315300000000, -0.0004570300000000 ]  - [   0.0000000000000000,  0.0031839400000000, -0.0028632700000000 ]  - [   0.0000000000000000,  0.0007439500000000, -0.0004154800000000 ]  - [   0.0000000000000000,  0.0003959300000000, -0.0000794900000000 ]  - [   0.0000000000000000, -0.0018671900000000, -0.0021902800000000 ]  - [   0.0000000000000000,  0.0060741500000000,  0.0045214200000000 ]  - [   0.0000000000000000,  0.0006589800000000,  0.0003088200000000 ]  - [  -0.0018606200000000,  0.0014321200000000,  0.0058108600000000 ]  - [   0.0003274300000000,  0.0008734600000000,  0.0004196100000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0105123000000000, -0.0183786700000000 ]  - [   0.0000000000000000,  0.0005860700000000,  0.0000441200000000 ]  - [   0.0000000000000000, -0.0009147700000000, -0.0025521900000000 ]  - [   0.0000000000000000,  0.0005864100000000, -0.0000425900000000 ]  - [   0.0000735500000000,  0.0006647500000000,  0.0000460400000000 ]  - [   0.0021456300000000,  0.0010337900000000,  0.0020142300000000 ]  - [  -0.0000735500000000,  0.0006647500000000,  0.0000460400000000 ]  - [  -0.0021456300000000,  0.0010337900000000,  0.0020142300000000 ]  - [   0.0000000000000000,  0.0006704700000000, -0.0015096300000000 ]  - [   0.0000000000000000,  0.0006660000000000, -0.0002147900000000 ]  - [   0.0000000000000000,  0.0012214300000000,  0.0011084700000000 ]  - [   0.0000000000000000,  0.0003666500000000,  0.0003265700000000 ]  - [   0.0017441100000000,  0.0007868500000000, -0.0006008700000000 ]  - [  -0.0000071200000000,  0.0007431100000000, -0.0000089500000000 ]  - [  -0.0017441100000000,  0.0007868500000000, -0.0006008700000000 ]  - [   0.0000071200000000,  0.0007431100000000, -0.0000089500000000 ]  - [   0.0013950900000000, -0.0106253700000000,  0.0142253600000000 ]  - [  -0.0000054000000000,  0.0019703900000000,  0.0000119900000000 ]  - [   0.0000000000000000, -0.0439011500000000, -0.0821482500000000 ]  - [   0.0000000000000000,  0.0020155600000000, -0.0000691900000000 ]  - [  -0.0013950900000000, -0.0106253700000000,  0.0142253600000000 ]  - [   0.0000054000000000,  0.0019703900000000,  0.0000119900000000 ]  - [   0.0000000000000000, -0.0049550900000000,  0.0061252300000000 ]  - [   0.0000000000000000,  0.0020322700000000,  0.0000783100000000 ]  - [  -0.0000791700000000,  0.0020518800000000, -0.0002224800000000 ]  - [  -0.0005620100000000,  0.0004203100000000, -0.0089325600000000 ]  - [   0.0000000000000000,  0.0022204500000000,  0.0050878700000000 ]  - [   0.0000000000000000,  0.0018211500000000,  0.0010406000000000 ]  - [   0.0000791700000000,  0.0020518800000000, -0.0002224800000000 ]  - [   0.0005620100000000,  0.0004203100000000, -0.0089325600000000 ]  - [   0.0000000000000000,  0.0007950400000000, -0.0039326300000000 ]  - [   0.0000000000000000,  0.0022091600000000, -0.0005709200000000 ]  - [   0.0004947600000000,  0.0025110400000000,  0.0013993700000000 ]  - [  -0.0003309800000000, -0.0008868800000000, -0.0003835100000000 ]  - [   0.0000000000000000,  0.0558529200000000,  0.1932397900000000 ]  - [   0.0000000000000000, -0.0006929600000000, -0.0002475300000000 ]  - [   0.0000000000000000, -0.0004025400000000,  0.0000621400000000 ]  - [   0.0000000000000000, -0.0001138800000000,  0.0013082200000000 ]  - [   0.0000000000000000,  0.0039820300000000, -0.0014500000000000 ]  - [   0.0000000000000000, -0.0006996000000000,  0.0002505800000000 ]  - [   0.0185554200000000,  0.0130660200000000, -0.0218560700000000 ]  - [  -0.0003084900000000, -0.0008911500000000,  0.0004019900000000 ]  - [   0.0003382100000000, -0.0008851500000000,  0.0004329200000000 ]  - [   0.0079624500000000, -0.0105726300000000,  0.0057450200000000 ]  - [  -0.0004947600000000,  0.0025110400000000,  0.0013993700000000 ]  - [   0.0003309800000000, -0.0008868800000000, -0.0003835100000000 ]  - [   0.0001691900000000, -0.0006607200000000,  0.0000183800000000 ]  - [   0.0001540600000000, -0.0007486200000000,  0.0006792000000000 ]  - [  -0.0003382100000000, -0.0008851500000000,  0.0004329200000000 ]  - [  -0.0079624500000000, -0.0105726300000000,  0.0057450200000000 ]  - [  -0.0185554200000000,  0.0130660200000000, -0.0218560700000000 ]  - [   0.0003084900000000, -0.0008911500000000,  0.0004019900000000 ]  - [   0.0000000000000000, -0.0006430800000000,  0.0001840900000000 ]  - [   0.0000000000000000,  0.0024975300000000, -0.0032842100000000 ]  - [   0.0000000000000000,  0.0014194500000000, -0.0011057000000000 ]  - [   0.0000000000000000, -0.0004065600000000, -0.0000456400000000 ]  - [   0.0000000000000000, -0.0006549600000000, -0.0001987100000000 ]  - [   0.0000000000000000, -0.0195422700000000, -0.0602539300000000 ]  - [  -0.0001691900000000, -0.0006607200000000,  0.0000183800000000 ]  - [  -0.0001540600000000, -0.0007486200000000,  0.0006792000000000 ]  - [  -0.0003355100000000, -0.0009032900000000, -0.0004081400000000 ]  - [  -0.0014249200000000,  0.0044186600000000,  0.0025249000000000 ]  - [   0.0000000000000000, -0.0009813200000000, -0.0010182900000000 ]  - [   0.0000000000000000, -0.0017200400000000, -0.0010192900000000 ]  - [   0.0000000000000000, -0.0005118800000000, -0.0050642000000000 ]  - [   0.0000000000000000, -0.0003941100000000,  0.0000307700000000 ]  - [   0.0000000000000000, -0.0004900700000000,  0.0004286400000000 ]  - [   0.0000000000000000, -0.0012632400000000,  0.0004315200000000 ]  - [  -0.0004440600000000, -0.0010448700000000,  0.0001405100000000 ]  - [  -0.0001636700000000, -0.0002433900000000,  0.0004326900000000 ]  - [  -0.0007342200000000,  0.0020225300000000, -0.0033702500000000 ]  - [   0.0003544400000000, -0.0008874400000000,  0.0003483100000000 ]  - [   0.0003355100000000, -0.0009032900000000, -0.0004081400000000 ]  - [   0.0014249200000000,  0.0044186600000000,  0.0025249000000000 ]  - [  -0.0018464300000000, -0.0014009900000000, -0.0057997000000000 ]  - [   0.0003079400000000, -0.0008933200000000, -0.0004059400000000 ]  - [   0.0007342200000000,  0.0020225300000000, -0.0033702500000000 ]  - [  -0.0003544400000000, -0.0008874400000000,  0.0003483100000000 ]  - [   0.0004440600000000, -0.0010448700000000,  0.0001405100000000 ]  - [   0.0001636700000000, -0.0002433900000000,  0.0004326900000000 ]  - [   0.0000000000000000, -0.0032134000000000,  0.0028365900000000 ]  - [   0.0000000000000000, -0.0007199500000000,  0.0003705200000000 ]  - [   0.0000000000000000, -0.0004005700000000, -0.0000052500000000 ]  - [   0.0000000000000000,  0.0018520300000000,  0.0020711100000000 ]  - [   0.0000000000000000, -0.0061402100000000, -0.0045142000000000 ]  - [   0.0000000000000000, -0.0006363300000000, -0.0002641900000000 ]  - [   0.0018464300000000, -0.0014009900000000, -0.0057997000000000 ]  - [  -0.0003079400000000, -0.0008933200000000, -0.0004059400000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000162000000000,  0.0000005000000000,  0.0000010600000000 ]  - [  -0.0032366600000000, -0.0000098200000000, -0.0000079100000000 ]  - [   0.0000170500000000, -0.0000011000000000,  0.0000024700000000 ]  - [   0.0081968400000000,  0.0001029000000000, -0.0000423000000000 ]  - [  -0.0006019600000000,  0.0000000000000000,  0.0021040700000000 ]  - [   0.0000016200000000,  0.0000000000000000,  0.0000019900000000 ]  - [  -0.0007009500000000,  0.0000000000000000, -0.0021528000000000 ]  - [  -0.0000018000000000,  0.0000000000000000,  0.0000021800000000 ]  - [   0.0081968400000000, -0.0001029000000000, -0.0000423000000000 ]  - [   0.0000170500000000,  0.0000011000000000,  0.0000024700000000 ]  - [  -0.0032366600000000,  0.0000098200000000, -0.0000079100000000 ]  - [  -0.0000162000000000, -0.0000005000000000,  0.0000010600000000 ]  - [   0.0000044700000000, -0.0004431400000000,  0.0000098800000000 ]  - [   0.0000044700000000,  0.0004431400000000,  0.0000098800000000 ]  - [   0.0000174700000000,  0.0004403500000000, -0.0000056700000000 ]  - [   0.0000174700000000, -0.0004403500000000, -0.0000056700000000 ]  - [  -0.0000593300000000,  0.0001645900000000, -0.0001672900000000 ]  - [  -0.0000593300000000, -0.0001645900000000, -0.0001672900000000 ]  - [  -0.0000867900000000, -0.0000029900000000, -0.0000032900000000 ]  - [  -0.0215940900000000, -0.0000783600000000,  0.0000419000000000 ]  - [  -0.0000830100000000, -0.0001524600000000,  0.0001699700000000 ]  - [  -0.0000830100000000,  0.0001524600000000,  0.0001699700000000 ]  - [   0.0000908400000000,  0.0000039400000000, -0.0000054400000000 ]  - [   0.0166607300000000, -0.0000115800000000, -0.0000083500000000 ]  - [   0.0008681700000000,  0.0000000000000000,  0.0066179400000000 ]  - [  -0.0000013400000000,  0.0000000000000000, -0.0000025200000000 ]  - [   0.0166607300000000,  0.0000115800000000, -0.0000083500000000 ]  - [   0.0000908400000000, -0.0000039400000000, -0.0000054400000000 ]  - [   0.0062114100000000,  0.0000000000000000, -0.0045112300000000 ]  - [  -0.0000006100000000,  0.0000000000000000, -0.0000010900000000 ]  - [  -0.0215940900000000,  0.0000783600000000,  0.0000419000000000 ]  - [  -0.0000867900000000,  0.0000029900000000, -0.0000032900000000 ]  - [   0.0016408600000000,  0.0001373400000000, -0.0000023500000000 ]  - [  -0.0000273700000000,  0.0001033800000000,  0.0000504000000000 ]  - [  -0.0000230200000000, -0.0000139900000000, -0.0000216000000000 ]  - [   0.0018905300000000,  0.0000036500000000, -0.0000166400000000 ]  - [  -0.1925815300000000,  0.0000000000000000, -0.0018741600000000 ]  - [  -0.0000090300000000,  0.0000000000000000,  0.0000387400000000 ]  - [   0.0000349300000000, -0.0000140900000000,  0.0000214300000000 ]  - [  -0.0014761400000000, -0.0000246000000000, -0.0000019400000000 ]  - [  -0.0000019000000000,  0.0000918300000000, -0.0000659500000000 ]  - [   0.0017200000000000,  0.0001634000000000, -0.0000340000000000 ]  - [   0.0239016800000000, -0.0205523700000000,  0.0114932200000000 ]  - [   0.0000125100000000,  0.0000089900000000,  0.0000079400000000 ]  - [   0.0017200000000000, -0.0001634000000000, -0.0000340000000000 ]  - [  -0.0000019000000000, -0.0000918300000000, -0.0000659500000000 ]  - [   0.0240371400000000, -0.0208628700000000, -0.0116987500000000 ]  - [  -0.0000107600000000,  0.0000023700000000,  0.0000126600000000 ]  - [   0.0240371400000000,  0.0208628700000000, -0.0116987500000000 ]  - [  -0.0000107600000000, -0.0000023700000000,  0.0000126600000000 ]  - [  -0.0000273700000000, -0.0001033800000000,  0.0000504000000000 ]  - [   0.0016408600000000, -0.0001373400000000, -0.0000023500000000 ]  - [  -0.0028440400000000,  0.0000039500000000,  0.0000205600000000 ]  - [  -0.0000107900000000,  0.0000144500000000, -0.0000222100000000 ]  - [   0.0001431600000000,  0.0000117500000000, -0.0000288700000000 ]  - [   0.0001431600000000, -0.0000117500000000, -0.0000288700000000 ]  - [   0.0030656800000000,  0.0000048800000000,  0.0000069300000000 ]  - [   0.0000098200000000,  0.0000142900000000,  0.0000225400000000 ]  - [   0.0239016800000000,  0.0205523700000000,  0.0114932200000000 ]  - [   0.0000125100000000, -0.0000089900000000,  0.0000079400000000 ]  - [   0.0002247600000000, -0.0136501700000000, -0.0162284400000000 ]  - [  -0.0000111300000000,  0.0000134700000000, -0.0000048100000000 ]  - [  -0.0028440400000000, -0.0000039500000000,  0.0000205600000000 ]  - [  -0.0000107900000000, -0.0000144500000000, -0.0000222100000000 ]  - [  -0.0000076000000000, -0.0000018600000000,  0.0000394100000000 ]  - [  -0.0000076000000000,  0.0000018600000000,  0.0000394100000000 ]  - [   0.0030656800000000, -0.0000048800000000,  0.0000069300000000 ]  - [   0.0000098200000000, -0.0000142900000000,  0.0000225400000000 ]  - [   0.0001033600000000, -0.0138048300000000,  0.0163265200000000 ]  - [   0.0000130400000000,  0.0000052600000000, -0.0000136000000000 ]  - [  -0.0007876700000000, -0.0003300900000000,  0.0001985400000000 ]  - [   0.0000448400000000,  0.0000818200000000, -0.0000273700000000 ]  - [   0.0001033600000000,  0.0138048300000000,  0.0163265200000000 ]  - [   0.0000130400000000, -0.0000052600000000, -0.0000136000000000 ]  - [   0.0000233500000000,  0.0000738500000000,  0.0000474400000000 ]  - [  -0.0008080500000000, -0.0003314800000000, -0.0001761300000000 ]  - [  -0.0008080500000000,  0.0003314800000000, -0.0001761300000000 ]  - [   0.0000233500000000, -0.0000738500000000,  0.0000474400000000 ]  - [   0.0002247600000000,  0.0136501700000000, -0.0162284400000000 ]  - [  -0.0000111300000000, -0.0000134700000000, -0.0000048100000000 ]  - [   0.0018905300000000, -0.0000036500000000, -0.0000166400000000 ]  - [  -0.0000230200000000,  0.0000139900000000, -0.0000216000000000 ]  - [   0.0852704100000000,  0.0000000000000000,  0.0000354200000000 ]  - [   0.0000086400000000,  0.0000000000000000, -0.0000385100000000 ]  - [  -0.0014761400000000,  0.0000246000000000, -0.0000019400000000 ]  - [   0.0000349300000000,  0.0000140900000000,  0.0000214300000000 ]  - [   0.0000448400000000, -0.0000818200000000, -0.0000273700000000 ]  - [  -0.0007876700000000,  0.0003300900000000,  0.0001985400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0010416000000000, -0.0000772100000000 ]  - [   0.0000000000000000,  0.0006532500000000, -0.0003150100000000 ]  - [   0.0000000000000000, -0.0011428700000000,  0.0001227700000000 ]  - [   0.0000000000000000, -0.0012369200000000,  0.0025886500000000 ]  - [  -0.0000076000000000,  0.0051330200000000,  0.0000049200000000 ]  - [   0.0000006200000000, -0.0013798700000000,  0.0000007500000000 ]  - [   0.0000076000000000,  0.0051330200000000,  0.0000049200000000 ]  - [  -0.0000006200000000, -0.0013798700000000,  0.0000007500000000 ]  - [   0.0000000000000000, -0.0014359500000000, -0.0026776000000000 ]  - [   0.0000000000000000, -0.0011443200000000, -0.0001210800000000 ]  - [   0.0000000000000000,  0.0006287900000000,  0.0003289000000000 ]  - [   0.0000000000000000, -0.0010416000000000,  0.0000774400000000 ]  - [  -0.0003690000000000, -0.0014230400000000,  0.0001226300000000 ]  - [   0.0003773500000000, -0.0014223800000000, -0.0001235000000000 ]  - [   0.0003690000000000, -0.0014230400000000,  0.0001226300000000 ]  - [  -0.0003773500000000, -0.0014223800000000, -0.0001235000000000 ]  - [   0.0006479400000000, -0.0033018000000000, -0.0005948100000000 ]  - [  -0.0006604100000000, -0.0032977700000000,  0.0006057800000000 ]  - [   0.0000000000000000, -0.0036475700000000,  0.0001236000000000 ]  - [   0.0000000000000000, -0.0014035400000000,  0.0023422200000000 ]  - [  -0.0006479400000000, -0.0033018000000000, -0.0005948100000000 ]  - [   0.0006604100000000, -0.0032977700000000,  0.0006057800000000 ]  - [   0.0000000000000000, -0.0036799800000000, -0.0001478200000000 ]  - [   0.0000000000000000, -0.0012339400000000, -0.0028265600000000 ]  - [   0.0002018800000000,  0.0293354300000000, -0.0000777500000000 ]  - [   0.0000004200000000, -0.0035524500000000, -0.0000012500000000 ]  - [   0.0000000000000000, -0.0012777200000000,  0.0028353800000000 ]  - [   0.0000000000000000, -0.0036843900000000,  0.0001421600000000 ]  - [  -0.0002018800000000,  0.0293354300000000, -0.0000777500000000 ]  - [  -0.0000004200000000, -0.0035524500000000, -0.0000012500000000 ]  - [   0.0000000000000000, -0.0014434800000000, -0.0023712500000000 ]  - [   0.0000000000000000, -0.0036437900000000, -0.0001238600000000 ]  - [  -0.0001119000000000,  0.0013713000000000,  0.0009165700000000 ]  - [   0.0006183000000000,  0.0015698800000000,  0.0007146700000000 ]  - [   0.0000000000000000,  0.0011854300000000,  0.0003757400000000 ]  - [   0.0000000000000000,  0.0003773400000000,  0.0000909000000000 ]  - [   0.0000000000000000, -0.0557382300000000,  0.0002091700000000 ]  - [   0.0000000000000000,  0.0007653300000000,  0.0000425700000000 ]  - [   0.0000000000000000,  0.0011694800000000, -0.0003739300000000 ]  - [   0.0000000000000000,  0.0010936200000000,  0.0018990900000000 ]  - [   0.0006412900000000,  0.0015615300000000, -0.0007331400000000 ]  - [  -0.0001040400000000,  0.0013562500000000, -0.0009338500000000 ]  - [  -0.0088464000000000, -0.0005481400000000, -0.0002337800000000 ]  - [  -0.0005628800000000,  0.0016123300000000, -0.0007444000000000 ]  - [   0.0001119000000000,  0.0013713000000000,  0.0009165700000000 ]  - [  -0.0006183000000000,  0.0015698800000000,  0.0007146700000000 ]  - [  -0.0088100600000000, -0.0005024800000000,  0.0002768700000000 ]  - [  -0.0005866800000000,  0.0016037000000000,  0.0007635500000000 ]  - [   0.0088464000000000, -0.0005481400000000, -0.0002337800000000 ]  - [   0.0005628800000000,  0.0016123300000000, -0.0007444000000000 ]  - [  -0.0006412900000000,  0.0015615300000000, -0.0007331400000000 ]  - [   0.0001040400000000,  0.0013562500000000, -0.0009338500000000 ]  - [   0.0000000000000000, -0.0024093700000000, -0.0005704700000000 ]  - [   0.0000000000000000,  0.0012511600000000, -0.0004166100000000 ]  - [   0.0000000000000000,  0.0016208900000000,  0.0006775500000000 ]  - [   0.0000000000000000,  0.0016373600000000, -0.0007768200000000 ]  - [   0.0000000000000000, -0.0019844600000000, -0.0013877800000000 ]  - [   0.0000000000000000,  0.0012380600000000,  0.0004287900000000 ]  - [   0.0088100600000000, -0.0005024800000000,  0.0002768700000000 ]  - [   0.0005866800000000,  0.0016037000000000,  0.0007635500000000 ]  - [  -0.0048585100000000, -0.0006067100000000,  0.0057872100000000 ]  - [   0.0005773000000000,  0.0016211300000000,  0.0007496300000000 ]  - [   0.0000000000000000, -0.0024300100000000,  0.0004913100000000 ]  - [   0.0000000000000000,  0.0012196000000000,  0.0003664300000000 ]  - [   0.0000000000000000,  0.0006128600000000,  0.0002647300000000 ]  - [   0.0000000000000000,  0.0006097800000000, -0.0001826200000000 ]  - [   0.0000000000000000, -0.0020128500000000,  0.0014336700000000 ]  - [   0.0000000000000000,  0.0012065400000000, -0.0003789000000000 ]  - [  -0.0047578600000000, -0.0005761700000000, -0.0057639800000000 ]  - [   0.0006010300000000,  0.0016117600000000, -0.0007685400000000 ]  - [  -0.0005976500000000,  0.0010462500000000, -0.0005741400000000 ]  - [  -0.0005370400000000,  0.0016120200000000, -0.0008278100000000 ]  - [   0.0048585100000000, -0.0006067100000000,  0.0057872100000000 ]  - [  -0.0005773000000000,  0.0016211300000000,  0.0007496300000000 ]  - [  -0.0005611800000000,  0.0016040800000000,  0.0008452700000000 ]  - [  -0.0006174100000000,  0.0010258000000000,  0.0005851100000000 ]  - [   0.0005976500000000,  0.0010462500000000, -0.0005741400000000 ]  - [   0.0005370400000000,  0.0016120200000000, -0.0008278100000000 ]  - [   0.0047578600000000, -0.0005761700000000, -0.0057639800000000 ]  - [  -0.0006010300000000,  0.0016117600000000, -0.0007685400000000 ]  - [   0.0000000000000000,  0.0004200300000000, -0.0001375300000000 ]  - [   0.0000000000000000,  0.0012156000000000, -0.0004239800000000 ]  - [   0.0000000000000000,  0.0007440400000000, -0.0000838100000000 ]  - [   0.0000000000000000,  0.0007506600000000, -0.0000429400000000 ]  - [   0.0000000000000000,  0.0011258100000000, -0.0018200900000000 ]  - [   0.0000000000000000,  0.0011996200000000,  0.0004227700000000 ]  - [   0.0005611800000000,  0.0016040800000000,  0.0008452700000000 ]  - [   0.0006174100000000,  0.0010258000000000,  0.0005851100000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000367700000000,  0.0000150900000000 ]  - [   0.0000000000000000, -0.0012494500000000, -0.0006807100000000 ]  - [   0.0000000000000000, -0.0000750000000000,  0.0000339000000000 ]  - [   0.0000000000000000,  0.0050097000000000,  0.0007789000000000 ]  - [   0.0034078300000000,  0.0000000000000000, -0.0063334700000000 ]  - [   0.0000059000000000,  0.0000000000000000,  0.0000024200000000 ]  - [  -0.0034078300000000,  0.0000000000000000, -0.0063334700000000 ]  - [  -0.0000059000000000,  0.0000000000000000,  0.0000024200000000 ]  - [   0.0000000000000000, -0.0050097000000000,  0.0007789000000000 ]  - [   0.0000000000000000,  0.0000750000000000,  0.0000339000000000 ]  - [   0.0000000000000000,  0.0012494500000000, -0.0006807100000000 ]  - [   0.0000000000000000, -0.0000367700000000,  0.0000150900000000 ]  - [  -0.0000147800000000, -0.0000125300000000,  0.0004366600000000 ]  - [  -0.0000147800000000,  0.0000125300000000,  0.0004366600000000 ]  - [   0.0000147800000000, -0.0000125300000000,  0.0004366600000000 ]  - [   0.0000147800000000,  0.0000125300000000,  0.0004366600000000 ]  - [   0.0001383800000000,  0.0002859300000000, -0.0021194100000000 ]  - [   0.0001383800000000, -0.0002859300000000, -0.0021194100000000 ]  - [   0.0000000000000000,  0.0000116700000000,  0.0000052600000000 ]  - [   0.0000000000000000,  0.0019757800000000, -0.0008626900000000 ]  - [  -0.0001383800000000,  0.0002859300000000, -0.0021194100000000 ]  - [  -0.0001383800000000, -0.0002859300000000, -0.0021194100000000 ]  - [   0.0000000000000000,  0.0000133600000000,  0.0000085100000000 ]  - [   0.0000000000000000, -0.0067545800000000, -0.0046391400000000 ]  - [  -0.0245921500000000,  0.0000000000000000,  0.0284054300000000 ]  - [  -0.0000130500000000,  0.0000000000000000, -0.0000199700000000 ]  - [   0.0000000000000000,  0.0067545800000000, -0.0046391400000000 ]  - [   0.0000000000000000, -0.0000133600000000,  0.0000085100000000 ]  - [   0.0245921500000000,  0.0000000000000000,  0.0284054300000000 ]  - [   0.0000130500000000,  0.0000000000000000, -0.0000199700000000 ]  - [   0.0000000000000000, -0.0019757800000000, -0.0008626900000000 ]  - [   0.0000000000000000, -0.0000116700000000,  0.0000052600000000 ]  - [   0.0000276400000000,  0.0010375200000000,  0.0007719400000000 ]  - [  -0.0000293200000000,  0.0000639400000000,  0.0001595800000000 ]  - [   0.0000000000000000, -0.0000308100000000, -0.0000440400000000 ]  - [   0.0000000000000000, -0.0007434100000000, -0.0012970200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0645580400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000394300000000 ]  - [   0.0000000000000000, -0.0000000800000000, -0.0000125000000000 ]  - [   0.0000000000000000,  0.0006614700000000, -0.0021055200000000 ]  - [   0.0000293200000000, -0.0000639400000000,  0.0001595800000000 ]  - [  -0.0000276400000000, -0.0010375200000000,  0.0007719400000000 ]  - [   0.0067526200000000, -0.0008372900000000, -0.0045098800000000 ]  - [   0.0000233100000000, -0.0000115400000000,  0.0000182300000000 ]  - [  -0.0000276400000000,  0.0010375200000000,  0.0007719400000000 ]  - [   0.0000293200000000,  0.0000639400000000,  0.0001595800000000 ]  - [  -0.0067526200000000,  0.0008372900000000, -0.0045098800000000 ]  - [  -0.0000233100000000,  0.0000115400000000,  0.0000182300000000 ]  - [  -0.0067526200000000, -0.0008372900000000, -0.0045098800000000 ]  - [  -0.0000233100000000, -0.0000115400000000,  0.0000182300000000 ]  - [  -0.0000293200000000, -0.0000639400000000,  0.0001595800000000 ]  - [   0.0000276400000000, -0.0010375200000000,  0.0007719400000000 ]  - [   0.0000000000000000, -0.0016316500000000,  0.0050748200000000 ]  - [   0.0000000000000000,  0.0000180900000000, -0.0000127800000000 ]  - [   0.0000000000000000,  0.0007249800000000,  0.0009902300000000 ]  - [   0.0000000000000000, -0.0007249800000000,  0.0009902300000000 ]  - [   0.0000000000000000, -0.0003847800000000,  0.0011025400000000 ]  - [   0.0000000000000000,  0.0000166900000000,  0.0000288500000000 ]  - [   0.0067526200000000,  0.0008372900000000, -0.0045098800000000 ]  - [   0.0000233100000000,  0.0000115400000000,  0.0000182300000000 ]  - [  -0.0024830300000000,  0.0083560300000000,  0.0073548600000000 ]  - [  -0.0000014200000000,  0.0000132800000000, -0.0000046600000000 ]  - [   0.0000000000000000,  0.0016316500000000,  0.0050748200000000 ]  - [   0.0000000000000000, -0.0000180900000000, -0.0000127800000000 ]  - [   0.0000000000000000, -0.0002232900000000,  0.0004808000000000 ]  - [   0.0000000000000000,  0.0002232900000000,  0.0004808000000000 ]  - [   0.0000000000000000,  0.0003847800000000,  0.0011025400000000 ]  - [   0.0000000000000000, -0.0000166900000000,  0.0000288500000000 ]  - [   0.0024830300000000, -0.0083560300000000,  0.0073548600000000 ]  - [   0.0000014200000000, -0.0000132800000000, -0.0000046600000000 ]  - [   0.0009008500000000, -0.0019935200000000,  0.0014259100000000 ]  - [   0.0000080400000000,  0.0000239800000000,  0.0001624700000000 ]  - [   0.0024830300000000,  0.0083560300000000,  0.0073548600000000 ]  - [   0.0000014200000000,  0.0000132800000000, -0.0000046600000000 ]  - [  -0.0000080400000000, -0.0000239800000000,  0.0001624700000000 ]  - [  -0.0009008500000000,  0.0019935200000000,  0.0014259100000000 ]  - [  -0.0009008500000000, -0.0019935200000000,  0.0014259100000000 ]  - [  -0.0000080400000000,  0.0000239800000000,  0.0001624700000000 ]  - [  -0.0024830300000000, -0.0083560300000000,  0.0073548600000000 ]  - [  -0.0000014200000000, -0.0000132800000000, -0.0000046600000000 ]  - [   0.0000000000000000,  0.0007434100000000, -0.0012970200000000 ]  - [   0.0000000000000000,  0.0000308100000000, -0.0000440400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0079394300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000414900000000 ]  - [   0.0000000000000000, -0.0006614700000000, -0.0021055200000000 ]  - [   0.0000000000000000,  0.0000000800000000, -0.0000125000000000 ]  - [   0.0000080400000000, -0.0000239800000000,  0.0001624700000000 ]  - [   0.0009008500000000,  0.0019935200000000,  0.0014259100000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000363200000000, -0.0000146800000000 ]  - [   0.0000000000000000,  0.0012618000000000,  0.0006940800000000 ]  - [   0.0000000000000000,  0.0000751900000000, -0.0000315600000000 ]  - [   0.0000000000000000, -0.0049812400000000, -0.0008264200000000 ]  - [  -0.0034663900000000,  0.0000000000000000,  0.0063747100000000 ]  - [  -0.0000044400000000,  0.0000000000000000, -0.0000004400000000 ]  - [   0.0034663900000000,  0.0000000000000000,  0.0063747100000000 ]  - [   0.0000044400000000,  0.0000000000000000, -0.0000004400000000 ]  - [   0.0000000000000000,  0.0049812400000000, -0.0008264200000000 ]  - [   0.0000000000000000, -0.0000751900000000, -0.0000315600000000 ]  - [   0.0000000000000000, -0.0012618000000000,  0.0006940800000000 ]  - [   0.0000000000000000,  0.0000363200000000, -0.0000146800000000 ]  - [   0.0000211600000000,  0.0000103200000000, -0.0004345100000000 ]  - [   0.0000211600000000, -0.0000103200000000, -0.0004345100000000 ]  - [  -0.0000211600000000,  0.0000103200000000, -0.0004345100000000 ]  - [  -0.0000211600000000, -0.0000103200000000, -0.0004345100000000 ]  - [  -0.0001470600000000, -0.0002850700000000,  0.0021122500000000 ]  - [  -0.0001470600000000,  0.0002850700000000,  0.0021122500000000 ]  - [   0.0000000000000000, -0.0000151300000000, -0.0000071900000000 ]  - [   0.0000000000000000, -0.0019296500000000,  0.0008138200000000 ]  - [   0.0001470600000000, -0.0002850700000000,  0.0021122500000000 ]  - [   0.0001470600000000,  0.0002850700000000,  0.0021122500000000 ]  - [   0.0000000000000000, -0.0000069300000000, -0.0000161200000000 ]  - [   0.0000000000000000,  0.0067533900000000,  0.0046781600000000 ]  - [   0.0240587500000000,  0.0000000000000000, -0.0285122100000000 ]  - [   0.0000137600000000,  0.0000000000000000,  0.0000162000000000 ]  - [   0.0000000000000000, -0.0067533900000000,  0.0046781600000000 ]  - [   0.0000000000000000,  0.0000069300000000, -0.0000161200000000 ]  - [  -0.0240587500000000,  0.0000000000000000, -0.0285122100000000 ]  - [  -0.0000137600000000,  0.0000000000000000,  0.0000162000000000 ]  - [   0.0000000000000000,  0.0019296500000000,  0.0008138200000000 ]  - [   0.0000000000000000,  0.0000151300000000, -0.0000071900000000 ]  - [  -0.0000379000000000, -0.0010181200000000, -0.0007831700000000 ]  - [   0.0000061300000000, -0.0000550000000000, -0.0001769500000000 ]  - [   0.0000000000000000,  0.0000006600000000, -0.0000048800000000 ]  - [   0.0000000000000000,  0.0007050100000000,  0.0012472900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0645476100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000463900000000 ]  - [   0.0000000000000000, -0.0000304100000000,  0.0000617700000000 ]  - [   0.0000000000000000, -0.0006912900000000,  0.0021557900000000 ]  - [  -0.0000061300000000,  0.0000550000000000, -0.0001769500000000 ]  - [   0.0000379000000000,  0.0010181200000000, -0.0007831700000000 ]  - [  -0.0066942600000000,  0.0008040500000000,  0.0045856300000000 ]  - [   0.0000004500000000,  0.0000195500000000,  0.0000010900000000 ]  - [   0.0000379000000000, -0.0010181200000000, -0.0007831700000000 ]  - [  -0.0000061300000000, -0.0000550000000000, -0.0001769500000000 ]  - [   0.0066942600000000, -0.0008040500000000,  0.0045856300000000 ]  - [  -0.0000004500000000, -0.0000195500000000,  0.0000010900000000 ]  - [   0.0066942600000000,  0.0008040500000000,  0.0045856300000000 ]  - [  -0.0000004500000000,  0.0000195500000000,  0.0000010900000000 ]  - [   0.0000061300000000,  0.0000550000000000, -0.0001769500000000 ]  - [  -0.0000379000000000,  0.0010181200000000, -0.0007831700000000 ]  - [   0.0000000000000000,  0.0016912900000000, -0.0051676600000000 ]  - [   0.0000000000000000,  0.0000135000000000, -0.0000378500000000 ]  - [   0.0000000000000000, -0.0007296300000000, -0.0010796000000000 ]  - [   0.0000000000000000,  0.0007296300000000, -0.0010796000000000 ]  - [   0.0000000000000000,  0.0004297800000000, -0.0010382400000000 ]  - [   0.0000000000000000,  0.0000149600000000,  0.0000216600000000 ]  - [  -0.0066942600000000, -0.0008040500000000,  0.0045856300000000 ]  - [   0.0000004500000000, -0.0000195500000000,  0.0000010900000000 ]  - [   0.0023891800000000, -0.0082820900000000, -0.0073379100000000 ]  - [  -0.0000219800000000, -0.0000042500000000, -0.0000146500000000 ]  - [   0.0000000000000000, -0.0016912900000000, -0.0051676600000000 ]  - [   0.0000000000000000, -0.0000135000000000, -0.0000378500000000 ]  - [   0.0000000000000000,  0.0002244600000000, -0.0003943700000000 ]  - [   0.0000000000000000, -0.0002244600000000, -0.0003943700000000 ]  - [   0.0000000000000000, -0.0004297800000000, -0.0010382400000000 ]  - [   0.0000000000000000, -0.0000149600000000,  0.0000216600000000 ]  - [  -0.0023891800000000,  0.0082820900000000, -0.0073379100000000 ]  - [   0.0000219800000000,  0.0000042500000000, -0.0000146500000000 ]  - [  -0.0008716200000000,  0.0019952500000000, -0.0014049500000000 ]  - [   0.0000156300000000, -0.0000160900000000, -0.0001431300000000 ]  - [  -0.0023891800000000, -0.0082820900000000, -0.0073379100000000 ]  - [   0.0000219800000000, -0.0000042500000000, -0.0000146500000000 ]  - [  -0.0000156300000000,  0.0000160900000000, -0.0001431300000000 ]  - [   0.0008716200000000, -0.0019952500000000, -0.0014049500000000 ]  - [   0.0008716200000000,  0.0019952500000000, -0.0014049500000000 ]  - [  -0.0000156300000000, -0.0000160900000000, -0.0001431300000000 ]  - [   0.0023891800000000,  0.0082820900000000, -0.0073379100000000 ]  - [  -0.0000219800000000,  0.0000042500000000, -0.0000146500000000 ]  - [   0.0000000000000000, -0.0007050100000000,  0.0012472900000000 ]  - [   0.0000000000000000, -0.0000006600000000, -0.0000048800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0080276600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000456400000000 ]  - [   0.0000000000000000,  0.0006912900000000,  0.0021557900000000 ]  - [   0.0000000000000000,  0.0000304100000000,  0.0000617700000000 ]  - [   0.0000156300000000,  0.0000160900000000, -0.0001431300000000 ]  - [  -0.0008716200000000, -0.0019952500000000, -0.0014049500000000 ]